diff --git "a/carbon24_instruct.json" "b/carbon24_instruct.json" new file mode 100644--- /dev/null +++ "b/carbon24_instruct.json" @@ -0,0 +1,30467 @@ +[ + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48053000\n_cell_length_b 5.09056000\n_cell_length_c 4.89497000\n_cell_angle_alpha 57.97521000\n_cell_angle_beta 59.51109000\n_cell_angle_gamma 43.04559000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99453900\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01706897 0.71072668 0.70544499 1\n C C1 1 0.68025235 0.06989044 1.00318540 1\n C C2 1 0.14234414 0.62471612 0.20939241 1\n C C3 1 0.34433233 0.10871703 0.78081493 1\n C C4 1 -0.11663885 0.55405962 0.57440517 1\n C C5 1 0.00817595 0.46805771 0.07810120 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48986000\n_cell_length_b 4.65679000\n_cell_length_c 5.94592000\n_cell_angle_alpha 90.03290000\n_cell_angle_beta 77.93642000\n_cell_angle_gamma 57.67568000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.44264567\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63628756 0.17653474 0.74659929 1\n C C1 1 0.07535339 0.47745056 0.26783806 1\n C C2 1 0.47656240 0.62130397 0.17699556 1\n C C3 1 0.06673747 -0.03265767 0.30664321 1\n C C4 1 0.46932917 0.11075260 0.21501637 1\n C C5 1 0.76118709 0.95179661 0.94805867 1\n C C6 1 0.03982870 0.87451288 0.54687266 1\n C C7 1 0.90702757 0.41074852 0.73684904 1\n C C8 1 0.78466636 0.63535708 0.53492922 1\n C C9 1 0.50570438 0.71315951 0.93646533 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44168000\n_cell_length_b 4.79849000\n_cell_length_c 5.95909000\n_cell_angle_alpha 119.73602000\n_cell_angle_beta 101.56104000\n_cell_angle_gamma 75.51457000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.45546221\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56087068 0.98174403 0.47974027 1\n C C1 1 -0.00468803 0.20581332 0.57242993 1\n C C2 1 0.10601614 0.54447837 0.11818192 1\n C C3 1 0.24636631 0.94304704 0.81685708 1\n C C4 1 1.35930436 0.00018133 0.08565585 1\n C C5 1 0.27834010 0.35580160 0.27822078 1\n C C6 1 0.82177471 0.43862322 0.45647310 1\n C C7 1 1.09775665 0.28398424 0.84967659 1\n C C8 1 0.52976238 0.76893040 0.19162340 1\n C C9 1 0.73345471 0.79690556 0.64274427 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47518000\n_cell_length_b 4.18933000\n_cell_length_c 11.18377000\n_cell_angle_alpha 100.54005000\n_cell_angle_beta 77.38712000\n_cell_angle_gamma 89.87842000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 111.15331676\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99425098 -0.05270840 0.87298760 1\n C C1 1 0.20780895 0.98257598 0.48645625 1\n C C2 1 0.55903991 0.76830293 0.66196963 1\n C C3 1 0.98045613 0.87377968 0.21382739 1\n C C4 1 0.54531871 0.40571605 0.62029106 1\n C C5 1 0.70048026 0.20680529 0.48557149 1\n C C6 1 0.14597751 0.31635265 0.87666066 1\n C C7 1 0.70956686 -0.05319318 1.01440936 1\n C C8 1 0.55630748 0.78170833 0.80820666 1\n C C9 1 0.97056021 0.28574060 0.67845460 1\n C C10 1 -0.07019528 0.23869702 0.25287497 1\n C C11 1 -0.20381595 0.43478246 0.39097401 1\n C C12 1 0.08176142 0.93163262 0.62383187 1\n C C13 1 1.13574889 0.44150227 1.01530047 1\n C C14 1 0.70770196 0.42040658 0.81350039 1\n C C15 1 0.47735730 0.36638362 0.19963017 1\n C C16 1 1.29694166 0.66063079 0.39252762 1\n C C17 1 0.14328388 0.80094160 1.06294396 1\n C C18 1 0.60348283 0.30110751 0.06362084 1\n C C19 1 0.43587779 0.71862349 0.25595082 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39500000\n_cell_length_b 4.81978000\n_cell_length_c 3.65211000\n_cell_angle_alpha 112.26885000\n_cell_angle_beta 128.35152000\n_cell_angle_gamma 77.74360000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34806182\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35890301 0.71636072 -0.04863116 1\n C C1 1 0.35903523 0.41031263 0.67934984 1\n C C2 1 0.35837196 0.21649154 0.89199672 1\n C C3 1 0.35956628 -0.08981820 0.73872197 1\n C C4 1 0.35652350 0.41000961 0.29657729 1\n C C5 1 0.36141474 0.71666373 0.33414139 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.17840000\n_cell_length_b 4.67784000\n_cell_length_c 4.67703000\n_cell_angle_alpha 77.42149000\n_cell_angle_beta 89.78550000\n_cell_angle_gamma 90.21686000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 89.22094520\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79319063 0.75164920 0.50167715 1\n C C1 1 0.92914556 0.01359753 1.23955906 1\n C C2 1 0.29882896 1.00669402 0.24672037 1\n C C3 1 0.43484571 -0.00660858 0.93996386 1\n C C4 1 0.42363742 0.76146923 0.49182577 1\n C C5 1 -0.21426580 0.28554450 0.30859291 1\n C C6 1 0.36825967 0.29477952 0.77952112 1\n C C7 1 0.93591250 0.47736558 0.43605272 1\n C C8 1 0.78567653 0.94405452 -0.03227782 1\n C C9 1 0.28790823 0.77196915 0.80058604 1\n C C10 1 0.28791864 0.45300393 0.48067330 1\n C C11 1 0.36841926 0.47322437 0.95859398 1\n C C12 1 0.43496050 0.31287983 0.25987177 1\n C C13 1 -0.06412471 0.81644950 0.77597978 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43246000\n_cell_length_b 7.19986000\n_cell_length_c 6.61497000\n_cell_angle_alpha 48.50971000\n_cell_angle_beta 89.98176000\n_cell_angle_gamma 90.01706000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.77982369\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40261223 0.01807284 1.04725383 1\n C C1 1 -0.09739547 0.07391724 0.10248974 1\n C C2 1 0.40265280 0.35139691 0.38048140 1\n C C3 1 0.90267751 0.85139371 0.88048986 1\n C C4 1 0.90244280 0.18441847 0.21416081 1\n C C5 1 -0.09740558 0.51813482 0.54721643 1\n C C6 1 0.90238827 0.74072587 -0.23076476 1\n C C7 1 0.40268026 -0.09238242 0.93549619 1\n C C8 1 0.40258565 0.57401109 0.60241192 1\n C C9 1 0.40237900 0.68444962 0.71413438 1\n C C10 1 0.40244503 0.24074398 0.26921995 1\n C C11 1 -0.09735208 0.40763976 0.43548095 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50566000\n_cell_length_b 4.79040000\n_cell_length_c 5.85223000\n_cell_angle_alpha 80.64259000\n_cell_angle_beta 84.75947000\n_cell_angle_gamma 78.56324000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.80708353\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08518132 0.42152882 0.49143519 1\n C C1 1 0.51293181 0.55044378 0.06567351 1\n C C2 1 1.01513524 0.41468154 0.74991714 1\n C C3 1 0.52406816 0.77846661 0.20318916 1\n C C4 1 0.43829299 0.57697684 0.81668329 1\n C C5 1 0.11408789 0.09959496 0.87850026 1\n C C6 1 0.58762462 0.28583830 0.17628415 1\n C C7 1 0.29095733 0.89079217 0.69808539 1\n C C8 1 0.66169676 0.25930284 0.42477088 1\n C C9 1 0.57257741 1.05746080 0.03991210 1\n C C10 1 0.98220076 0.73641704 0.36422617 1\n C C11 1 0.80345800 0.94564431 0.54456226 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51187000\n_cell_length_b 4.11132000\n_cell_length_c 4.19172000\n_cell_angle_alpha 119.40794000\n_cell_angle_beta 107.68747000\n_cell_angle_gamma 89.97152000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.34653644\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88337144 -0.01253937 -0.06422459 1\n C C1 1 0.69344258 0.64316186 0.54808990 1\n C C2 1 0.88375561 0.31824804 0.93622004 1\n C C3 1 0.07853375 0.03151198 0.32403354 1\n C C4 1 0.69374621 0.27459721 0.54827215 1\n C C5 1 0.07865101 0.66282007 0.32457766 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42598000\n_cell_length_b 4.21658000\n_cell_length_c 4.21834000\n_cell_angle_alpha 89.81438000\n_cell_angle_beta 90.09485000\n_cell_angle_gamma 90.02212000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.15054012\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11835710 0.85251298 0.04028423 1\n C C1 1 1.11845508 0.26260183 0.63447763 1\n C C2 1 0.61829350 0.76611122 0.54451852 1\n C C3 1 0.61860782 0.82417919 0.19597045 1\n C C4 1 0.11855651 0.91403223 0.69252010 1\n C C5 1 0.61841519 0.41828915 0.60603087 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48323000\n_cell_length_b 5.01052000\n_cell_length_c 4.05185000\n_cell_angle_alpha 113.84982000\n_cell_angle_beta 101.04279000\n_cell_angle_gamma 85.59381000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.25552491\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65287413 0.17231346 1.02348198 1\n C C1 1 0.84135427 0.69688931 0.20675196 1\n C C2 1 0.34146157 0.88861297 0.30232728 1\n C C3 1 0.20614060 0.17242783 0.25442291 1\n C C4 1 0.02317843 0.69666059 0.59591900 1\n C C5 1 0.52337639 0.88825382 0.69153013 1\n C C6 1 0.15214374 0.41290596 0.64353932 1\n C C7 1 0.70552068 0.41309976 0.87472784 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49384000\n_cell_length_b 6.33553000\n_cell_length_c 4.21185000\n_cell_angle_alpha 49.57982000\n_cell_angle_beta 106.80393000\n_cell_angle_gamma 92.38066000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.51722070\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26492476 0.37765370 -0.10238934 1\n C C1 1 0.46680058 0.34972112 0.28721479 1\n C C2 1 0.09679529 0.63260396 0.42676769 1\n C C3 1 0.45547303 0.62873460 0.19055833 1\n C C4 1 0.10210604 0.16327286 0.58257971 1\n C C5 1 1.14259414 -0.11235612 0.36597416 1\n C C6 1 0.21064563 0.88372132 0.71305188 1\n C C7 1 0.21196503 0.13086785 0.97355498 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48146000\n_cell_length_b 3.68878000\n_cell_length_c 4.83759000\n_cell_angle_alpha 111.45597000\n_cell_angle_beta 104.85401000\n_cell_angle_gamma 109.66537000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98263957\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54426967 0.58392061 -0.04551283 1\n C C1 1 1.21388278 0.28760396 0.58967780 1\n C C2 1 0.22925589 0.52670183 0.38291244 1\n C C3 1 0.25358016 -0.12859349 0.08531528 1\n C C4 1 0.50542073 1.00005146 0.45902031 1\n C C5 1 0.52817407 0.34495373 0.16107770 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.11693000\n_cell_length_b 3.64860000\n_cell_length_c 4.81011000\n_cell_angle_alpha 112.15257000\n_cell_angle_beta 80.92832000\n_cell_angle_gamma 119.47547000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.08059748\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11421540 0.13809637 0.99097078 1\n C C1 1 1.11143792 0.98449638 0.68480813 1\n C C2 1 0.11168754 0.57708035 0.49037524 1\n C C3 1 0.11128873 -0.07596283 0.18466237 1\n C C4 1 0.11436459 0.19855558 0.49111654 1\n C C5 1 1.11396578 0.54551239 0.18540367 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42797000\n_cell_length_b 3.73386000\n_cell_length_c 4.81223000\n_cell_angle_alpha 96.60006000\n_cell_angle_beta 103.00715000\n_cell_angle_gamma 87.80120000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.22164306\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.16679949 0.19748271 0.96848991 1\n C C1 1 0.61225275 0.64270755 0.52475659 1\n C C2 1 0.49986617 0.86411551 0.30181068 1\n C C3 1 0.27892165 0.30940177 0.85810626 1\n C C4 1 0.94559006 -0.02395254 0.19142323 1\n C C5 1 0.16653887 0.53080319 0.63515903 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.67304000\n_cell_length_b 4.83440000\n_cell_length_c 4.87821000\n_cell_angle_alpha 112.53999000\n_cell_angle_beta 98.61853000\n_cell_angle_gamma 112.08562000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.62372542\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18072049 0.31998879 0.01901675 1\n C C1 1 0.83962607 1.00855925 0.36834599 1\n C C2 1 1.14311238 0.34730364 0.52604264 1\n C C3 1 0.62274136 0.85513097 0.52500986 1\n C C4 1 0.31822407 0.51622492 0.36698641 1\n C C5 1 0.10439814 0.78801861 0.94425118 1\n C C6 1 0.28205759 0.54565798 0.87426150 1\n C C7 1 0.73852007 0.81404976 0.01679910 1\n C C8 1 0.72390126 0.05172457 0.87694868 1\n C C9 1 0.35580527 0.07579562 0.94647670 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47199000\n_cell_length_b 4.15251000\n_cell_length_c 5.79723000\n_cell_angle_alpha 69.34630000\n_cell_angle_beta 64.87265000\n_cell_angle_gamma 90.01300000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.61759872\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22825086 0.64699967 0.65526818 1\n C C1 1 0.67380098 0.43867165 0.71019758 1\n C C2 1 0.17384708 0.43850681 0.20996870 1\n C C3 1 0.84661767 0.19713386 0.53778559 1\n C C4 1 0.72832608 0.64671159 1.15496727 1\n C C5 1 0.79101223 0.98834501 0.09290385 1\n C C6 1 0.29149592 0.98873015 0.59265382 1\n C C7 1 0.34620018 0.19670605 0.03799280 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44414000\n_cell_length_b 6.06030000\n_cell_length_c 7.21977000\n_cell_angle_alpha 99.10146000\n_cell_angle_beta 99.73600000\n_cell_angle_gamma 66.12052000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 95.89936901\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33838512 0.85709877 0.16998172 1\n C C1 1 0.14873352 0.29525297 0.67886855 1\n C C2 1 0.84186816 0.24387039 0.95200616 1\n C C3 1 0.69324913 0.78021114 0.73473345 1\n C C4 1 0.43503675 0.20973416 0.06839786 1\n C C5 1 -0.03115874 0.54546457 0.81685280 1\n C C6 1 0.40773206 0.39792759 0.40098439 1\n C C7 1 0.56140352 0.51159374 0.93307287 1\n C C8 1 0.59259948 0.58927355 0.14611897 1\n C C9 1 0.25394033 0.45779219 0.20638431 1\n C C10 1 0.71074387 -0.02583692 0.15008633 1\n C C11 1 0.06520767 0.89647250 0.71393771 1\n C C12 1 -0.00699958 0.35415958 0.48418196 1\n C C13 1 -0.18983778 0.16430416 0.73913391 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42980000\n_cell_length_b 5.36077000\n_cell_length_c 7.45187000\n_cell_angle_alpha 84.83628000\n_cell_angle_beta 70.92882000\n_cell_angle_gamma 89.92150000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 91.32464801\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88363235 0.28110706 0.59084580 1\n C C1 1 0.21093395 0.58034653 0.76333496 1\n C C2 1 0.40753032 0.54700948 0.06233863 1\n C C3 1 0.38761073 0.27556407 0.07776941 1\n C C4 1 0.88007909 0.87889832 0.08972441 1\n C C5 1 0.27751797 0.77280355 0.19460388 1\n C C6 1 0.78051988 0.49499067 0.69424803 1\n C C7 1 0.42441235 0.16617375 0.55063307 1\n C C8 1 0.09085909 0.85802939 0.38665949 1\n C C9 1 0.52548016 0.94807313 0.45244570 1\n C C10 1 -0.10442600 0.15142874 0.06978590 1\n C C11 1 0.01263641 0.65485341 0.95809762 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49028000\n_cell_length_b 3.59355000\n_cell_length_c 4.35454000\n_cell_angle_alpha 84.29282000\n_cell_angle_beta 73.40105000\n_cell_angle_gamma 69.70179000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02552446\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52085800 0.21190059 0.93295444 1\n C C1 1 0.80703185 0.84248548 0.72730293 1\n C C2 1 0.62495027 0.58331102 0.35107459 1\n C C3 1 -0.00529257 0.84310728 0.35137413 1\n C C4 1 0.91365790 0.21240454 0.14527793 1\n C C5 1 0.43802485 0.58260800 0.72697958 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51161000\n_cell_length_b 4.11307000\n_cell_length_c 4.19018000\n_cell_angle_alpha 119.39622000\n_cell_angle_beta 107.61574000\n_cell_angle_gamma 89.99932000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.36490942\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60501894 0.73126181 0.82055281 1\n C C1 1 0.41216723 0.38684919 0.43234869 1\n C C2 1 0.21863125 0.34318025 0.04438963 1\n C C3 1 0.41230394 0.05682131 0.43266800 1\n C C4 1 0.21877726 0.71259788 1.04460296 1\n C C5 1 0.60502138 0.10043147 0.82064872 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63337000\n_cell_length_b 3.27351000\n_cell_length_c 3.27022000\n_cell_angle_alpha 80.81783000\n_cell_angle_beta 75.45314000\n_cell_angle_gamma 75.45300000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.24798648\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93258729 0.15582344 0.75352579 1\n C C1 1 0.93272446 0.47247014 0.43617498 1\n C C2 1 0.31410658 0.52771653 0.16843057 1\n C C3 1 0.55120517 0.10057706 1.02127020 1\n C C4 1 0.55109854 0.73898052 0.38209415 1\n C C5 1 0.31421322 0.88931307 0.80760661 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45451000\n_cell_length_b 4.38792000\n_cell_length_c 5.17379000\n_cell_angle_alpha 52.14461000\n_cell_angle_beta 89.57146000\n_cell_angle_gamma 90.36451000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.99108543\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47821987 0.08686824 0.02109644 1\n C C1 1 0.13420491 0.00971924 0.62852870 1\n C C2 1 0.63069642 0.39509552 0.07849970 1\n C C3 1 0.80647425 0.59245680 0.53168486 1\n C C4 1 0.65735801 0.76119553 0.71313138 1\n C C5 1 0.16172569 0.37582342 0.26345269 1\n C C6 1 -0.01777937 0.17740432 0.81095523 1\n C C7 1 0.31038512 0.68327433 0.32142789 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43889000\n_cell_length_b 4.22919000\n_cell_length_c 6.52569000\n_cell_angle_alpha 90.13684000\n_cell_angle_beta 100.68330000\n_cell_angle_gamma 90.00136000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.14254110\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90222510 0.22504225 0.48741675 1\n C C1 1 0.57455918 0.26720125 0.82278752 1\n C C2 1 0.23713271 0.37911711 0.14612965 1\n C C3 1 -0.10994271 0.87419979 0.47399507 1\n C C4 1 0.35684713 0.37809938 0.39412979 1\n C C5 1 1.02365681 0.26753779 0.71851834 1\n C C6 1 0.38431740 0.71732841 0.46014381 1\n C C7 1 0.70249086 0.87537851 1.06967905 1\n C C8 1 0.20696560 0.71834289 0.08112104 1\n C C9 1 0.69207801 0.22555293 1.05300398 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50785000\n_cell_length_b 3.41812000\n_cell_length_c 9.62215000\n_cell_angle_alpha 84.73247000\n_cell_angle_beta 97.52798000\n_cell_angle_gamma 68.46338000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 75.18201078\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03867874 0.33403379 0.34475501 1\n C C1 1 0.98891218 0.54215000 0.60891333 1\n C C2 1 0.65587142 0.54162692 0.94223582 1\n C C3 1 0.52064746 0.66149588 0.78729889 1\n C C4 1 0.32251608 0.54187437 0.27557418 1\n C C5 1 0.54819177 0.86937115 0.05138234 1\n C C6 1 1.29475697 0.33361917 0.01138890 1\n C C7 1 -0.11880716 0.86995398 0.71808935 1\n C C8 1 0.85410052 0.66147524 0.45395616 1\n C C9 1 -0.37224407 0.33423364 0.67808463 1\n C C10 1 0.18760851 0.66101292 0.12061614 1\n C C11 1 0.21473089 0.86979183 0.38472195 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47126000\n_cell_length_b 5.31271000\n_cell_length_c 4.80980000\n_cell_angle_alpha 111.27787000\n_cell_angle_beta 120.76299000\n_cell_angle_gamma 89.66479000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.27297022\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01746276 0.92102745 0.83938254 1\n C C1 1 0.58820944 0.54233068 0.90938731 1\n C C2 1 1.08842092 0.04324393 0.41030329 1\n C C3 1 0.86450534 0.47399737 0.18620200 1\n C C4 1 0.43571089 0.09623186 0.25770985 1\n C C5 1 0.51776826 0.42129097 0.33912821 1\n C C6 1 0.93606584 0.59633990 0.75748528 1\n C C7 1 0.36482445 0.97487633 0.68718923 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39360000\n_cell_length_b 3.40154000\n_cell_length_c 4.11528000\n_cell_angle_alpha 78.54631000\n_cell_angle_beta 101.45376000\n_cell_angle_gamma 86.12945000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.34772403\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12342705 0.11810136 0.69483105 1\n C C1 1 0.54945731 -0.07426961 0.14012894 1\n C C2 1 0.13743113 0.33855025 0.48156147 1\n C C3 1 0.90690034 0.56987060 0.14340713 1\n C C4 1 0.68652824 0.30862785 0.93057186 1\n C C5 1 0.35825140 0.59776245 0.69561494 1\n C C6 1 0.49393858 0.98077987 0.48494394 1\n C C7 1 0.16680686 0.79052083 0.92984247 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.55084000\n_cell_length_b 3.65341000\n_cell_length_c 8.99029000\n_cell_angle_alpha 74.89331000\n_cell_angle_beta 71.89721000\n_cell_angle_gamma 97.70929000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 133.34229324\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69715622 0.45883803 0.10662051 1\n C C1 1 0.36400768 0.45861071 1.10730885 1\n C C2 1 0.46576170 0.08916152 0.74856577 1\n C C3 1 0.30547962 0.87594567 0.55320593 1\n C C4 1 0.25197055 0.34458555 -0.01040111 1\n C C5 1 0.13475778 0.56655750 0.22608524 1\n C C6 1 0.25491871 0.66768747 0.34067213 1\n C C7 1 0.58686636 0.79794469 0.47357166 1\n C C8 1 0.57070043 0.66611871 0.34071077 1\n C C9 1 0.81354625 0.86316053 0.53653321 1\n C C10 1 0.94649243 0.08942864 0.74886934 1\n C C11 1 0.48481859 0.23164164 0.87868044 1\n C C12 1 0.74511629 1.00460949 0.67082489 1\n C C13 1 0.10517327 0.79617683 0.47381355 1\n C C14 1 0.92506527 0.34443707 -0.01018283 1\n C C15 1 0.80108973 0.23037883 0.87859238 1\n C C16 1 0.23756911 1.02029962 0.68672008 1\n C C17 1 0.80756412 0.56647390 0.22629237 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48102000\n_cell_length_b 3.69022000\n_cell_length_c 4.84442000\n_cell_angle_alpha 57.39669000\n_cell_angle_beta 75.08440000\n_cell_angle_gamma 70.28780000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01402748\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99287221 0.16938553 0.59180199 1\n C C1 1 0.21640632 0.93006948 0.38508743 1\n C C2 1 0.67365445 0.51359079 -0.11114006 1\n C C3 1 0.79491836 0.64246743 0.51597110 1\n C C4 1 0.25190759 0.22579397 1.01992680 1\n C C5 1 0.47309007 -0.01320871 0.81347274 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48158000\n_cell_length_b 3.68816000\n_cell_length_c 4.21960000\n_cell_angle_alpha 74.95060000\n_cell_angle_beta 89.90189000\n_cell_angle_gamma 70.34620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96643919\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58046399 0.96052700 0.67035304 1\n C C1 1 0.32167891 0.47363038 0.09910335 1\n C C2 1 0.10105063 0.91909000 0.89251246 1\n C C3 1 -0.21967324 0.56307086 0.59461386 1\n C C4 1 0.90026049 0.31626849 -0.03118258 1\n C C5 1 0.35871702 0.40631797 0.46404628 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.94928000\n_cell_length_b 4.83750000\n_cell_length_c 5.76354000\n_cell_angle_alpha 66.20084000\n_cell_angle_beta 100.36573000\n_cell_angle_gamma 88.36475000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.54019299\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57842633 0.51213477 0.40732071 1\n C C1 1 0.57815889 1.02996390 0.40775161 1\n C C2 1 0.09773855 0.75452786 0.92143511 1\n C C3 1 1.09690548 0.27291573 0.92171017 1\n C C4 1 0.69234028 0.71525011 0.51908603 1\n C C5 1 0.34197569 0.24331578 0.16386971 1\n C C6 1 0.95315292 0.58872613 0.77313667 1\n C C7 1 0.34119977 0.54121078 0.16383642 1\n C C8 1 0.72085129 0.19606392 0.55636265 1\n C C9 1 0.98150579 1.06936413 0.81040263 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48762000\n_cell_length_b 2.48761000\n_cell_length_c 6.57671000\n_cell_angle_alpha 67.74614000\n_cell_angle_beta 79.08109000\n_cell_angle_gamma 59.98402000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61513352\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46708030 0.10725876 0.67448971 1\n C C1 1 0.13377176 0.85703362 0.59132662 1\n C C2 1 0.80018282 0.10664325 0.00837469 1\n C C3 1 0.46674999 0.85686302 -0.07520888 1\n C C4 1 -0.19927706 0.85621419 0.25853033 1\n C C5 1 1.13411407 0.10673965 0.34137762 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43087000\n_cell_length_b 4.07727000\n_cell_length_c 6.79703000\n_cell_angle_alpha 108.95263000\n_cell_angle_beta 115.18719000\n_cell_angle_gamma 86.84643000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.38427488\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78863023 0.22551465 0.16954705 1\n C C1 1 0.37096980 0.39307742 0.25201049 1\n C C2 1 0.53869831 0.72548263 0.41959815 1\n C C3 1 0.28863037 0.22552845 0.66955432 1\n C C4 1 0.62082166 0.89318283 1.00191881 1\n C C5 1 0.12097873 -0.10694214 0.50202528 1\n C C6 1 0.87087893 0.39314297 0.75194982 1\n C C7 1 0.03856247 0.72557199 0.91947359 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46312000\n_cell_length_b 4.98771000\n_cell_length_c 6.69667000\n_cell_angle_alpha 63.38295000\n_cell_angle_beta 100.60575000\n_cell_angle_gamma 90.01410000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.97822352\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02824500 0.49754651 1.05410030 1\n C C1 1 0.79252910 0.33325730 0.58996074 1\n C C2 1 0.54325481 0.30605213 1.08618810 1\n C C3 1 0.11549445 0.62722283 0.22857425 1\n C C4 1 0.90574759 0.77411958 0.81255089 1\n C C5 1 0.34260108 0.80047129 0.68534324 1\n C C6 1 0.47684661 0.10383101 -0.04233451 1\n C C7 1 0.91153350 0.10817505 0.82723777 1\n C C8 1 0.65878325 1.00691573 0.32115281 1\n C C9 1 0.59423718 0.81911947 0.18627376 1\n C C10 1 0.23541546 0.40850730 0.47623295 1\n C C11 1 0.22603676 0.95067618 0.45649700 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67808000\n_cell_length_b 3.78465000\n_cell_length_c 4.29654000\n_cell_angle_alpha 89.15994000\n_cell_angle_beta 124.47009000\n_cell_angle_gamma 107.39485000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.67952891\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81820730 0.42412962 0.82661591 1\n C C1 1 0.31271126 0.39857520 0.79747989 1\n C C2 1 0.63010809 0.95415530 0.35163111 1\n C C3 1 0.31314477 -0.04831183 0.34532746 1\n C C4 1 0.62931336 0.70845501 0.10950123 1\n C C5 1 -0.05338127 0.26432790 0.66344398 1\n C C6 1 0.44112171 0.23928728 0.63400049 1\n C C7 1 0.94628498 0.71123422 0.11563493 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43911000\n_cell_length_b 4.22873000\n_cell_length_c 6.52398000\n_cell_angle_alpha 89.76256000\n_cell_angle_beta 79.23673000\n_cell_angle_gamma 90.00714000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.10610632\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55893839 0.81465623 0.42468030 1\n C C1 1 0.37001429 0.81412757 0.83026440 1\n C C2 1 0.05356641 0.65726197 0.43759507 1\n C C3 1 0.69246088 1.20914817 0.18001211 1\n C C4 1 0.87461232 0.65669943 0.81855549 1\n C C5 1 0.02577512 0.31815265 0.50462884 1\n C C6 1 1.24358957 0.20827779 0.07624658 1\n C C7 1 1.36018365 0.16449387 0.84585087 1\n C C8 1 0.57137050 0.16553264 0.41127040 1\n C C9 1 0.90573767 0.31810697 0.75240374 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48312000\n_cell_length_b 3.63064000\n_cell_length_c 7.32306000\n_cell_angle_alpha 119.73560000\n_cell_angle_beta 90.00217000\n_cell_angle_gamma 89.99920000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.32644926\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.31601881 0.22227665 0.42734609 1\n C C1 1 0.31620638 -0.08769405 0.85644225 1\n C C2 1 0.81643169 0.23147119 0.67565623 1\n C C3 1 0.81656819 0.53996403 0.24555852 1\n C C4 1 0.81628508 0.15118624 0.85638086 1\n C C5 1 0.31644080 -0.14903743 0.05100106 1\n C C6 1 0.81652961 0.60106090 0.05076808 1\n C C7 1 0.31648281 0.30074839 0.24562904 1\n C C8 1 0.31636388 0.47116909 0.67547509 1\n C C9 1 0.81600444 0.98219329 0.42720908 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.97913000\n_cell_length_b 4.30411000\n_cell_length_c 4.84998000\n_cell_angle_alpha 84.72388000\n_cell_angle_beta 82.11366000\n_cell_angle_gamma 67.72619000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.95009472\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03346921 0.89106805 0.18119230 1\n C C1 1 -0.03351914 0.89111166 0.68119429 1\n C C2 1 0.80087814 1.05843123 0.93084283 1\n C C3 1 0.30034783 0.55834022 0.18089994 1\n C C4 1 0.80092151 0.05842970 0.43084662 1\n C C5 1 0.46658944 0.39114941 0.43117503 1\n C C6 1 0.46651463 0.39113067 -0.06882509 1\n C C7 1 0.30036509 0.55833126 0.68089287 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64211000\n_cell_length_b 3.42975000\n_cell_length_c 4.83023000\n_cell_angle_alpha 122.66702000\n_cell_angle_beta 67.64276000\n_cell_angle_gamma 119.87714000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.52543017\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84921735 0.78794674 0.41328311 1\n C C1 1 0.06388854 0.79101878 0.60444975 1\n C C2 1 0.12022403 0.78955785 0.10635909 1\n C C3 1 0.46515835 0.78829436 0.41428018 1\n C C4 1 0.90539763 0.78646740 0.91533298 1\n C C5 1 0.50391530 -0.21145083 0.10532448 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.08656000\n_cell_length_b 3.99484000\n_cell_length_c 5.58715000\n_cell_angle_alpha 82.23913000\n_cell_angle_beta 119.85025000\n_cell_angle_gamma 108.51357000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.63704826\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21826036 0.81225444 0.05080529 1\n C C1 1 0.55353832 0.14317803 0.05047994 1\n C C2 1 0.71599869 0.81263833 0.55039130 1\n C C3 1 0.30252110 0.64329926 0.30044653 1\n C C4 1 0.05108856 0.14356170 0.55010658 1\n C C5 1 0.96755443 0.31247957 0.30070866 1\n C C6 1 0.46750481 0.31228959 0.80028820 1\n C C7 1 0.80297264 0.64316457 0.80017580 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.66152000\n_cell_length_b 4.20260000\n_cell_length_c 4.19798000\n_cell_angle_alpha 119.97028000\n_cell_angle_beta 128.05131000\n_cell_angle_gamma 77.81593000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.62007579\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87642591 0.94850359 0.37901821 1\n C C1 1 0.87650932 0.94860529 0.71226102 1\n C C2 1 0.87649919 0.61520394 0.71241442 1\n C C3 1 0.87655529 0.61524347 1.04566373 1\n C C4 1 0.87657645 0.28185780 0.04578496 1\n C C5 1 -0.12343617 0.28190731 0.37902096 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48481000\n_cell_length_b 4.17460000\n_cell_length_c 6.17730000\n_cell_angle_alpha 90.00153000\n_cell_angle_beta 113.90048000\n_cell_angle_gamma 90.02744000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.58304229\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36760491 0.42038617 0.00421938 1\n C C1 1 0.99887373 0.92489925 0.13433945 1\n C C2 1 0.87510880 0.54996554 0.50739682 1\n C C3 1 -0.00117348 0.55175180 0.13448336 1\n C C4 1 0.13478508 0.90062238 0.77167262 1\n C C5 1 0.25376762 0.42152924 0.38703553 1\n C C6 1 0.25402147 1.05469130 0.38709069 1\n C C7 1 0.36744519 1.05598958 1.00398586 1\n C C8 1 0.87533459 0.92536438 0.50750288 1\n C C9 1 0.13441899 0.57372355 0.77159231 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45217000\n_cell_length_b 3.33250000\n_cell_length_c 9.40976000\n_cell_angle_alpha 84.21950000\n_cell_angle_beta 90.02416000\n_cell_angle_gamma 68.20707000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.97703715\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69993234 0.39822751 0.51914710 1\n C C1 1 0.26962565 0.25804683 0.15136095 1\n C C2 1 0.18997613 0.41916403 0.59058301 1\n C C3 1 0.71936631 0.35261274 0.37043618 1\n C C4 1 0.38258021 1.02920019 0.85795303 1\n C C5 1 0.17878823 0.44299674 0.74364729 1\n C C6 1 0.23453631 0.32235426 0.29881695 1\n C C7 1 0.78837047 0.22077837 0.08083238 1\n C C8 1 0.60092242 0.59697786 0.81400217 1\n C C9 1 0.80435744 0.18425607 0.92830814 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44808000\n_cell_length_b 5.85555000\n_cell_length_c 5.58182000\n_cell_angle_alpha 59.76776000\n_cell_angle_beta 77.30729000\n_cell_angle_gamma 65.25587000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.78054799\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.16492569 0.67288595 0.40396470 1\n C C1 1 0.99244764 0.23897247 0.95732259 1\n C C2 1 0.27923904 -0.05092921 0.96335238 1\n C C3 1 0.88762095 0.90988130 0.82456273 1\n C C4 1 0.80153324 0.55447531 0.70769680 1\n C C5 1 0.33195732 1.18655079 0.38364084 1\n C C6 1 -0.16276940 0.11259339 0.52322131 1\n C C7 1 1.17450632 0.62033656 0.82995958 1\n C C8 1 0.36560783 0.30446362 0.08011516 1\n C C9 1 0.32961754 0.74665332 0.26471171 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48462000\n_cell_length_b 4.67780000\n_cell_length_c 4.08675000\n_cell_angle_alpha 96.68474000\n_cell_angle_beta 89.99540000\n_cell_angle_gamma 105.44199000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44884141\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95462696 0.31320961 0.17978933 1\n C C1 1 0.89581376 1.19685370 0.82426397 1\n C C2 1 0.72443822 0.85602522 0.89253576 1\n C C3 1 0.11351364 0.62768258 0.36149619 1\n C C4 1 0.38194913 0.16900744 0.29862719 1\n C C5 1 0.44016504 0.28321786 0.65454386 1\n C C6 1 0.61224341 0.62491724 0.58620233 1\n C C7 1 0.22371475 0.85445124 0.11907298 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27774000\n_cell_length_b 3.27937000\n_cell_length_c 5.56821000\n_cell_angle_alpha 89.67002000\n_cell_angle_beta 89.66048000\n_cell_angle_gamma 81.14487000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.13711060\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93800840 0.75941582 0.68796444 1\n C C1 1 0.90931639 0.72894424 0.21946963 1\n C C2 1 0.66445872 0.48615636 0.83076775 1\n C C3 1 0.29790836 0.39882771 0.68770205 1\n C C4 1 0.44764700 1.22197514 0.45406986 1\n C C5 1 0.18034814 0.00297649 0.07709044 1\n C C6 1 0.02626404 0.12584504 0.83082615 1\n C C7 1 0.27118054 0.36846050 0.21941047 1\n C C8 1 0.76436451 -0.09419608 0.45407461 1\n C C9 1 0.54148449 0.64255767 0.07671688 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45885000\n_cell_length_b 5.77600000\n_cell_length_c 7.55007000\n_cell_angle_alpha 60.07500000\n_cell_angle_beta 81.91673000\n_cell_angle_gamma 87.22127000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.98005120\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44593431 -0.06552987 0.62838081 1\n C C1 1 0.51669965 0.36873193 0.44617516 1\n C C2 1 0.54323841 0.15769989 0.39283401 1\n C C3 1 0.96768910 0.33046886 0.57156947 1\n C C4 1 0.58268692 0.64148874 0.27881649 1\n C C5 1 0.09432735 0.20876244 0.26139802 1\n C C6 1 0.21769733 0.50038475 0.06541702 1\n C C7 1 0.60029778 0.13218188 1.01008179 1\n C C8 1 0.97883563 0.60353715 0.56822326 1\n C C9 1 0.42645954 0.43559895 0.89669660 1\n C C10 1 0.69604330 0.65827879 0.07320797 1\n C C11 1 0.07918236 0.04973163 0.15944855 1\n C C12 1 0.45110910 0.64366400 0.67052503 1\n C C13 1 0.90108029 1.02292128 0.70874032 1\n C C14 1 0.73155361 -0.05258326 0.92293674 1\n C C15 1 1.05017684 0.75963124 0.31764407 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30757000\n_cell_length_b 4.27802000\n_cell_length_c 7.10948000\n_cell_angle_alpha 54.14623000\n_cell_angle_beta 61.20890000\n_cell_angle_gamma 73.85797000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.45564493\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76836260 0.32650931 0.52105961 1\n C C1 1 0.69427666 0.32817608 0.96301022 1\n C C2 1 0.39364501 0.65748760 0.50406494 1\n C C3 1 0.21226527 0.52421657 0.39712409 1\n C C4 1 0.35003242 0.64869281 0.88389397 1\n C C5 1 0.71384918 0.06513526 0.25053723 1\n C C6 1 0.63871244 0.99057134 -0.03136608 1\n C C7 1 0.68278040 0.34205455 0.31954986 1\n C C8 1 0.96152582 0.69398905 0.08517071 1\n C C9 1 0.14968907 0.85317081 0.16713376 1\n C C10 1 0.71012379 -0.04716476 0.75457819 1\n C C11 1 0.10341006 0.64753468 0.75056548 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.62367000\n_cell_length_b 2.83337000\n_cell_length_c 4.81797000\n_cell_angle_alpha 84.90278000\n_cell_angle_beta 112.08675000\n_cell_angle_gamma 97.55562000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.39714243\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70616898 0.16271035 0.39466336 1\n C C1 1 0.32514674 0.16218454 0.39470465 1\n C C2 1 0.76537134 1.16218870 0.89438885 1\n C C3 1 0.36032797 0.16254647 0.70300539 1\n C C4 1 0.97897948 0.16166016 0.70290230 1\n C C5 1 0.92007899 0.16231678 0.20338975 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45637000\n_cell_length_b 7.11258000\n_cell_length_c 7.73614000\n_cell_angle_alpha 65.77301000\n_cell_angle_beta 99.27453000\n_cell_angle_gamma 83.55453000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 119.23043491\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48984471 0.87320682 0.17912403 1\n C C1 1 0.55882100 0.07263489 0.77523825 1\n C C2 1 0.82287151 0.52410716 0.75593073 1\n C C3 1 0.12073010 0.75075423 0.48964153 1\n C C4 1 0.12563501 0.54038548 0.28400342 1\n C C5 1 -0.18700716 0.42013774 0.61135209 1\n C C6 1 -0.02338188 0.18035763 0.70370825 1\n C C7 1 0.44758535 0.49597892 0.03229380 1\n C C8 1 0.94682902 0.19428423 0.04268702 1\n C C9 1 0.92779650 0.41537869 -0.02673281 1\n C C10 1 0.29686767 0.72965486 0.87812922 1\n C C11 1 0.82315121 0.19914490 0.35637287 1\n C C12 1 0.98373590 0.77550955 0.13816195 1\n C C13 1 0.25400370 0.66397489 0.70770074 1\n C C14 1 0.52689300 0.86971291 0.38869915 1\n C C15 1 0.63990524 0.43838230 0.24819064 1\n C C16 1 0.77677902 0.83406036 0.90932699 1\n C C17 1 0.47113314 0.09541526 0.05755662 1\n C C18 1 0.37766227 0.09423172 0.36929901 1\n C C19 1 0.21210718 0.52618596 0.48945979 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48756000\n_cell_length_b 4.76294000\n_cell_length_c 5.31212000\n_cell_angle_alpha 63.09856000\n_cell_angle_beta 62.09592000\n_cell_angle_gamma 58.48080000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.57538367\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86032976 -0.10136013 0.59929310 1\n C C1 1 0.51629821 0.44015494 0.90205340 1\n C C2 1 0.74711252 0.24708958 0.36388090 1\n C C3 1 1.10325591 0.23886087 1.01654210 1\n C C4 1 0.01696657 0.47239344 0.36887149 1\n C C5 1 0.09237056 0.70510349 0.06097827 1\n C C6 1 0.50547192 0.90624578 0.94663655 1\n C C7 1 0.59070555 0.67357934 0.59410679 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45424000\n_cell_length_b 4.47124000\n_cell_length_c 7.05104000\n_cell_angle_alpha 87.39195000\n_cell_angle_beta 80.93604000\n_cell_angle_gamma 75.78664000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 74.06750542\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98337186 0.30948339 0.86559936 1\n C C1 1 0.54520565 0.28910700 0.74916087 1\n C C2 1 0.78826528 0.63897064 0.93636024 1\n C C3 1 0.02985796 0.57714793 0.51222940 1\n C C4 1 0.55121638 0.45463759 0.58289186 1\n C C5 1 0.20983682 0.77643265 0.96872984 1\n C C6 1 0.44709577 0.95662542 0.32636070 1\n C C7 1 0.96699805 0.83586494 0.39872921 1\n C C8 1 1.01320774 0.10413621 0.04341055 1\n C C9 1 0.45309878 0.12129833 0.15968408 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44032000\n_cell_length_b 4.83720000\n_cell_length_c 4.25193000\n_cell_angle_alpha 90.05547000\n_cell_angle_beta 90.06837000\n_cell_angle_gamma 134.86614000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.15041622\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99646392 0.80029302 0.61522201 1\n C C1 1 0.68414113 0.86684694 0.78293426 1\n C C2 1 -0.16633952 0.95413058 0.11867380 1\n C C3 1 0.83320334 0.20450250 0.28000536 1\n C C4 1 0.84931633 0.46181516 0.11846688 1\n C C5 1 0.68382356 0.14378619 0.61510296 1\n C C6 1 0.84873615 0.71214668 0.27952403 1\n C C7 1 -0.00258241 0.52348963 0.78307628 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44094000\n_cell_length_b 2.54908000\n_cell_length_c 7.71005000\n_cell_angle_alpha 118.02238000\n_cell_angle_beta 73.25978000\n_cell_angle_gamma 87.14599000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.56994625\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46895612 0.48696892 0.43582247 1\n C C1 1 0.64291336 0.98901340 0.76531276 1\n C C2 1 0.03760815 0.15316610 0.87332408 1\n C C3 1 0.69995354 0.14577241 0.20646152 1\n C C4 1 0.86380891 0.65141468 0.54371293 1\n C C5 1 0.80615201 0.49403829 0.10283453 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.09071000\n_cell_length_b 4.85615000\n_cell_length_c 4.74049000\n_cell_angle_alpha 105.47607000\n_cell_angle_beta 106.75225000\n_cell_angle_gamma 112.10975000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.19312283\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.14185240 0.04670105 0.53428915 1\n C C1 1 0.35957016 0.04693683 0.03419769 1\n C C2 1 0.85815848 0.54671177 0.53427968 1\n C C3 1 0.69061045 0.71303501 0.36821486 1\n C C4 1 0.69057748 0.21303335 0.36821016 1\n C C5 1 0.18871065 0.21270336 0.86837308 1\n C C6 1 1.18872852 0.71271656 0.86836610 1\n C C7 1 0.35960426 0.54694098 0.03420238 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43888000\n_cell_length_b 4.83125000\n_cell_length_c 8.76224000\n_cell_angle_alpha 85.06958000\n_cell_angle_beta 82.04823000\n_cell_angle_gamma 59.65622000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.22834631\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.25526279 1.14083367 0.82157704 1\n C C1 1 0.75641407 0.40307734 0.26912118 1\n C C2 1 0.11866163 0.05596869 0.23827161 1\n C C3 1 0.22197347 0.03871064 0.06666345 1\n C C4 1 1.07276512 0.32798992 0.79054418 1\n C C5 1 0.74099113 0.05834882 0.99054746 1\n C C6 1 1.09620163 0.55779118 0.27968758 1\n C C7 1 0.62892658 0.92716656 0.48035303 1\n C C8 1 1.11013948 0.90868741 0.55669055 1\n C C9 1 0.78013649 0.63929734 0.75731706 1\n C C10 1 0.10901837 0.82650582 0.72577065 1\n C C11 1 0.73398714 -0.09431789 0.30856331 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45636000\n_cell_length_b 3.66196000\n_cell_length_c 6.47468000\n_cell_angle_alpha 73.11503000\n_cell_angle_beta 79.03665000\n_cell_angle_gamma 70.43840000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.23332657\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83461924 0.90577635 -0.01474468 1\n C C1 1 0.61032692 0.30400847 0.03630871 1\n C C2 1 0.45806390 0.74518368 0.89826572 1\n C C3 1 0.82677267 0.67303214 0.23278233 1\n C C4 1 0.10481838 0.79470358 0.55585256 1\n C C5 1 0.55508205 0.78609240 0.66205366 1\n C C6 1 0.20354942 0.83344043 0.31984141 1\n C C7 1 1.05198592 0.27408835 0.18167719 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47969000\n_cell_length_b 3.68914000\n_cell_length_c 4.89598000\n_cell_angle_alpha 92.80397000\n_cell_angle_beta 120.46398000\n_cell_angle_gamma 109.61830000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01432297\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73662602 0.32251552 0.85632738 1\n C C1 1 0.99471830 0.28474789 0.63430001 1\n C C2 1 0.56641809 0.83957274 0.42800438 1\n C C3 1 0.11967465 0.68287291 0.55928178 1\n C C4 1 0.16536285 0.76751166 0.06281027 1\n C C5 1 0.61287749 0.92472978 0.93183518 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49377000\n_cell_length_b 5.58591000\n_cell_length_c 5.58147000\n_cell_angle_alpha 60.34651000\n_cell_angle_beta 63.49445000\n_cell_angle_gamma 63.50848000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.87307638\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88681050 0.01223200 0.05510903 1\n C C1 1 0.25452553 0.68570143 0.51415150 1\n C C2 1 0.25651791 0.82798459 0.86977831 1\n C C3 1 0.40194766 0.36808138 0.68369905 1\n C C4 1 0.25760755 0.55520975 0.14169892 1\n C C5 1 0.25402323 0.19900709 0.00139303 1\n C C6 1 0.74026515 0.19961667 0.51419256 1\n C C7 1 -0.11078643 0.88166148 0.68296628 1\n C C8 1 0.88770985 0.73941047 0.32705189 1\n C C9 1 0.88940615 0.36817614 0.19655083 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.07389000\n_cell_length_b 2.43105000\n_cell_length_c 6.40838000\n_cell_angle_alpha 79.30188000\n_cell_angle_beta 80.45686000\n_cell_angle_gamma 108.55747000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.29010291\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.16863927 0.66547679 0.50223671 1\n C C1 1 0.16939561 0.44263645 0.94701713 1\n C C2 1 0.16933850 -0.22345101 0.28023265 1\n C C3 1 0.16744297 0.33179648 0.16922808 1\n C C4 1 0.17101144 0.11038980 0.61308802 1\n C C5 1 0.16923160 0.99899359 0.83522682 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48734000\n_cell_length_b 3.51754000\n_cell_length_c 4.30524000\n_cell_angle_alpha 114.10426000\n_cell_angle_beta 106.79830000\n_cell_angle_gamma 89.98361000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61604775\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07671540 0.82020307 0.19332701 1\n C C1 1 0.74338207 0.48686973 0.52666035 1\n C C2 1 0.57658090 0.07051093 0.19337829 1\n C C3 1 0.41004873 0.15353640 0.85999368 1\n C C4 1 0.24324757 0.73717760 0.52671162 1\n C C5 1 0.90991423 0.40384427 0.86004495 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45505000\n_cell_length_b 2.53411000\n_cell_length_c 6.38348000\n_cell_angle_alpha 97.05970000\n_cell_angle_beta 90.78107000\n_cell_angle_gamma 88.28707000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.39328686\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36446561 1.03409683 0.12760147 1\n C C1 1 0.36570936 -0.06234221 0.89620103 1\n C C2 1 0.36863213 0.40657291 0.79251216 1\n C C3 1 0.36933715 0.30577967 0.56120362 1\n C C4 1 -0.13234791 0.23821182 0.45477946 1\n C C5 1 0.86615846 0.09951657 0.23399126 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47344000\n_cell_length_b 4.11774000\n_cell_length_c 4.28084000\n_cell_angle_alpha 90.01627000\n_cell_angle_beta 90.02133000\n_cell_angle_gamma 90.05664000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60025579\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78861970 0.64153700 0.11680318 1\n C C1 1 0.78869486 0.14153262 0.78348895 1\n C C2 1 -0.21149572 1.01652950 0.11678109 1\n C C3 1 0.78857943 0.51652512 -0.21653314 1\n C C4 1 0.28861970 0.64153700 0.61680318 1\n C C5 1 0.28857943 0.51652512 0.28346686 1\n C C6 1 0.28850428 0.01652950 0.61678109 1\n C C7 1 0.28869486 0.14153262 0.28348895 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48133000\n_cell_length_b 3.68850000\n_cell_length_c 4.21732000\n_cell_angle_alpha 104.90405000\n_cell_angle_beta 89.96525000\n_cell_angle_gamma 109.64933000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97120631\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71839105 0.57530885 0.24427637 1\n C C1 1 0.04033326 0.21724068 0.54209921 1\n C C2 1 -0.08174741 0.97271668 0.16857136 1\n C C3 1 0.46210214 1.06091403 0.67309726 1\n C C4 1 0.49669169 1.12996781 1.03796824 1\n C C5 1 0.23808028 0.61511536 0.46669847 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43219000\n_cell_length_b 4.22553000\n_cell_length_c 4.81571000\n_cell_angle_alpha 97.71599000\n_cell_angle_beta 75.39092000\n_cell_angle_gamma 106.68976000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.77263880\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79895491 0.90900698 0.10714926 1\n C C1 1 0.19566270 0.44686533 0.85440808 1\n C C2 1 -0.21671748 0.13591805 0.36641238 1\n C C3 1 1.02644020 0.08220275 0.82565352 1\n C C4 1 0.56321141 -0.02499490 0.64259363 1\n C C5 1 0.17914129 0.67362103 0.11356668 1\n C C6 1 0.41264021 0.60781808 0.57880490 1\n C C7 1 0.95147807 0.50071379 0.39525774 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48163000\n_cell_length_b 3.68952000\n_cell_length_c 4.84298000\n_cell_angle_alpha 122.57435000\n_cell_angle_beta 75.10760000\n_cell_angle_gamma 109.67241000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02534144\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17749822 0.67768236 -0.06795249 1\n C C1 1 -0.14391188 0.33321121 0.22918960 1\n C C2 1 1.05264069 0.80647574 0.30512172 1\n C C3 1 0.59927702 0.38999606 0.80106604 1\n C C4 1 0.63101425 1.09394375 0.43592612 1\n C C5 1 0.37559120 0.15067849 0.00764902 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52723000\n_cell_length_b 4.29869000\n_cell_length_c 5.39860000\n_cell_angle_alpha 121.08768000\n_cell_angle_beta 110.98258000\n_cell_angle_gamma 84.94964000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.54999207\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06629176 0.37610945 0.67589523 1\n C C1 1 -0.09513825 -0.02693810 0.54591501 1\n C C2 1 0.30347112 1.17034497 0.19773779 1\n C C3 1 0.44515049 0.50539277 -0.00239739 1\n C C4 1 0.52603544 0.84394527 0.22411438 1\n C C5 1 0.48064794 0.47236745 0.55637675 1\n C C6 1 0.66737194 0.17894904 0.02424067 1\n C C7 1 0.49046627 0.87695155 0.66551246 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47711000\n_cell_length_b 2.47756000\n_cell_length_c 6.77864000\n_cell_angle_alpha 89.98554000\n_cell_angle_beta 111.41276000\n_cell_angle_gamma 120.04054000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.65655271\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10503111 0.64708921 0.65096997 1\n C C1 1 0.66318179 -0.07151263 0.06928712 1\n C C2 1 0.55039874 0.36998515 0.73504999 1\n C C3 1 -0.00850320 0.09225826 0.31661827 1\n C C4 1 0.88504080 0.53883155 0.98579457 1\n C C5 1 0.76988977 0.48076146 0.40016058 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.70520000\n_cell_length_b 4.31972000\n_cell_length_c 4.81317000\n_cell_angle_alpha 109.30314000\n_cell_angle_beta 88.80719000\n_cell_angle_gamma 122.94162000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.64270082\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64423080 0.63511942 0.10946404 1\n C C1 1 1.04986016 1.03985626 0.30183485 1\n C C2 1 0.20476469 0.19464326 0.61078497 1\n C C3 1 0.61024177 0.59928907 0.80314449 1\n C C4 1 -0.00708094 -0.01811506 0.80300513 1\n C C5 1 0.26173642 0.25257335 0.10969472 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.39822000\n_cell_length_b 4.26598000\n_cell_length_c 5.94355000\n_cell_angle_alpha 108.59142000\n_cell_angle_beta 112.23788000\n_cell_angle_gamma 120.87945000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.63766818\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21817318 0.71954400 0.29982383 1\n C C1 1 0.56576114 0.40701066 0.30579610 1\n C C2 1 0.38584812 0.15382039 0.80692607 1\n C C3 1 0.52600509 0.01461425 0.25314848 1\n C C4 1 -0.21457767 -0.03263750 0.20570673 1\n C C5 1 0.50376820 0.99197477 0.64827995 1\n C C6 1 -0.07464038 0.82813609 0.65188919 1\n C C7 1 0.80739498 -0.01009930 0.81051749 1\n C C8 1 0.74574187 0.57508347 0.15307158 1\n C C9 1 1.09312817 0.26240456 0.15899388 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.82869000\n_cell_length_b 3.62617000\n_cell_length_c 4.81526000\n_cell_angle_alpha 67.88668000\n_cell_angle_beta 87.91960000\n_cell_angle_gamma 95.63861000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.39291949\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20007791 -0.13296083 0.83803007 1\n C C1 1 0.20254894 0.52222581 0.52906017 1\n C C2 1 0.20039561 0.08141095 1.02883391 1\n C C3 1 0.19930463 0.48582862 0.83797882 1\n C C4 1 1.20158492 0.14084123 0.52921891 1\n C C5 1 0.20120509 0.92660732 0.33833642 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.99226000\n_cell_length_b 4.21033000\n_cell_length_c 4.20638000\n_cell_angle_alpha 119.96836000\n_cell_angle_beta 80.80990000\n_cell_angle_gamma 113.55317000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.03068651\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26663791 0.75244640 0.34580672 1\n C C1 1 0.26663012 0.41917093 0.67912143 1\n C C2 1 1.25854148 0.08306489 0.34577138 1\n C C3 1 0.26663037 0.08582813 0.01247528 1\n C C4 1 0.25853998 0.74974011 0.67912355 1\n C C5 1 0.25852893 0.41639984 0.01241454 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45251000\n_cell_length_b 5.76904000\n_cell_length_c 4.11436000\n_cell_angle_alpha 51.52309000\n_cell_angle_beta 90.05447000\n_cell_angle_gamma 101.93249000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.96348702\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10437904 0.80048696 0.14159136 1\n C C1 1 0.63357542 0.86110119 0.27262086 1\n C C2 1 0.37141162 0.34109523 -0.03267893 1\n C C3 1 1.06871934 0.73727057 0.88525132 1\n C C4 1 0.53859320 0.67540187 0.75570632 1\n C C5 1 0.79987538 0.19518127 0.06237377 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47770000\n_cell_length_b 2.47796000\n_cell_length_c 6.31085000\n_cell_angle_alpha 89.99148000\n_cell_angle_beta 101.32183000\n_cell_angle_gamma 120.02739000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67293577\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29927032 0.65274960 0.35760167 1\n C C1 1 0.40751549 0.20600213 0.02216114 1\n C C2 1 0.24377296 0.12450564 0.77119713 1\n C C3 1 0.85581860 0.43082761 0.68817847 1\n C C4 1 0.68966254 0.34809034 0.44111009 1\n C C5 1 1.12987568 0.56725329 0.10646121 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48272000\n_cell_length_b 3.78278000\n_cell_length_c 7.99338000\n_cell_angle_alpha 109.52079000\n_cell_angle_beta 108.07398000\n_cell_angle_gamma 89.93674000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.82203752\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80580691 0.71576187 0.33224417 1\n C C1 1 0.28503654 0.41403257 0.80974066 1\n C C2 1 0.04313071 0.82415974 0.06770411 1\n C C3 1 1.13526574 0.53325967 0.66225122 1\n C C4 1 0.55711782 0.60463562 0.58436699 1\n C C5 1 0.66698317 -0.08400300 0.19165988 1\n C C6 1 -0.34456006 0.32003046 0.18056946 1\n C C7 1 0.41185169 0.72855992 0.43843217 1\n C C8 1 0.89089834 0.42814989 0.91598457 1\n C C9 1 0.03286444 0.22828634 0.05676158 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48175000\n_cell_length_b 4.84618000\n_cell_length_c 3.69051000\n_cell_angle_alpha 57.31910000\n_cell_angle_beta 70.34600000\n_cell_angle_gamma 75.21913000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.03096907\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16884963 0.94778897 0.43678598 1\n C C1 1 0.42882842 0.37629995 0.49187041 1\n C C2 1 0.38973136 0.74146723 0.19819101 1\n C C3 1 0.96819620 0.87267148 0.91022826 1\n C C4 1 0.64971016 0.16997820 0.25327544 1\n C C5 1 0.85036359 0.24509570 0.77983316 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50862000\n_cell_length_b 4.28939000\n_cell_length_c 5.06301000\n_cell_angle_alpha 79.65819000\n_cell_angle_beta 111.01867000\n_cell_angle_gamma 115.18573000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.99736584\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20091308 0.75407751 0.90264845 1\n C C1 1 -0.19407277 0.79755964 0.39969864 1\n C C2 1 0.65353404 0.42808758 0.42797647 1\n C C3 1 1.21269743 0.32736421 0.61444731 1\n C C4 1 0.06035331 0.95814200 0.64355369 1\n C C5 1 0.66534848 0.00115473 0.14009741 1\n C C6 1 0.36604071 0.24198895 0.14445951 1\n C C7 1 0.50006662 0.51323708 -0.10208768 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47451000\n_cell_length_b 4.28168000\n_cell_length_c 4.80552000\n_cell_angle_alpha 116.48150000\n_cell_angle_beta 104.91835000\n_cell_angle_gamma 90.01009000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.64582062\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12516896 -0.01476460 0.93545824 1\n C C1 1 0.68857219 0.88171938 0.06158202 1\n C C2 1 0.43867611 0.29833955 0.56159414 1\n C C3 1 0.62518393 0.48524787 0.93546826 1\n C C4 1 0.37506504 0.56861524 0.43544613 1\n C C5 1 0.93862594 0.79832006 0.56157236 1\n C C6 1 0.18855722 0.38170692 0.06157200 1\n C C7 1 0.87511521 0.06863473 0.43546790 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42760000\n_cell_length_b 4.79968000\n_cell_length_c 6.38069000\n_cell_angle_alpha 77.77364000\n_cell_angle_beta 92.87337000\n_cell_angle_gamma 55.08525000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.20358092\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87277107 0.33861537 0.61777021 1\n C C1 1 0.45796956 0.25355819 0.53548947 1\n C C2 1 0.95696844 0.75438553 0.03507524 1\n C C3 1 0.20774796 1.00376559 0.28537919 1\n C C4 1 -0.29269388 0.50410677 0.78522255 1\n C C5 1 0.12197634 0.58927068 0.86744761 1\n C C6 1 0.37216986 0.83911163 0.11751669 1\n C C7 1 0.62287365 0.08854923 0.36779415 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.83862000\n_cell_length_b 4.75310000\n_cell_length_c 4.91688000\n_cell_angle_alpha 117.87696000\n_cell_angle_beta 85.09085000\n_cell_angle_gamma 118.38205000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.57388720\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79518695 0.59028919 0.26512074 1\n C C1 1 0.63703651 0.09120148 0.42534969 1\n C C2 1 1.12426614 0.43570198 0.93393951 1\n C C3 1 0.30656425 0.93735272 0.75515315 1\n C C4 1 0.43091491 0.17550067 0.63116693 1\n C C5 1 0.00046724 0.67401796 0.05834012 1\n C C6 1 0.43080767 0.69948552 0.63171822 1\n C C7 1 0.33825576 0.43678684 0.72244249 1\n C C8 1 0.63686469 0.78321272 0.42555945 1\n C C9 1 0.09359614 0.93705305 0.96754915 1\n C C10 1 0.79532757 0.28213413 1.26479968 1\n C C11 1 0.00080466 0.19788295 1.05826058 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46671000\n_cell_length_b 3.38116000\n_cell_length_c 5.24880000\n_cell_angle_alpha 89.19435000\n_cell_angle_beta 89.90303000\n_cell_angle_gamma 111.23058000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.80056668\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49887559 0.79113473 0.21055761 1\n C C1 1 0.53580427 0.86499548 0.93560864 1\n C C2 1 0.90839836 0.60963423 0.33530561 1\n C C3 1 0.05691397 -0.09219542 0.81047555 1\n C C4 1 1.09729575 0.98092686 0.53534444 1\n C C5 1 0.68778346 0.16181752 0.41033866 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48107000\n_cell_length_b 3.68928000\n_cell_length_c 4.21691000\n_cell_angle_alpha 104.81997000\n_cell_angle_beta 89.94189000\n_cell_angle_gamma 109.64361000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98984362\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03318396 0.72471444 0.90292571 1\n C C1 1 0.99572381 0.65337784 0.53767386 1\n C C2 1 0.45473136 0.56818665 0.03393371 1\n C C3 1 0.57419040 0.81046866 0.40682881 1\n C C4 1 0.77491443 0.20846785 0.33155997 1\n C C5 1 0.25581874 0.17018835 0.10935534 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43223000\n_cell_length_b 3.00807000\n_cell_length_c 6.40374000\n_cell_angle_alpha 86.18147000\n_cell_angle_beta 79.30034000\n_cell_angle_gamma 108.91548000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.14413288\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59753748 0.05578816 0.54124830 1\n C C1 1 0.04283175 0.06155263 0.65187081 1\n C C2 1 0.70741253 0.05729346 0.31924582 1\n C C3 1 0.37818611 1.06687436 -0.01506977 1\n C C4 1 0.93501102 0.06542315 0.87356232 1\n C C5 1 0.26576571 1.05905453 0.20733403 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.79959000\n_cell_length_b 2.46392000\n_cell_length_c 8.64186000\n_cell_angle_alpha 73.50988000\n_cell_angle_beta 57.98700000\n_cell_angle_gamma 71.09409000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.26330727\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46151563 0.70267383 0.20246938 1\n C C1 1 0.27446128 0.18017440 0.31953190 1\n C C2 1 0.24826868 -0.12645884 0.63726789 1\n C C3 1 0.89720441 0.52329002 0.16255962 1\n C C4 1 0.53210330 0.93345036 0.43704724 1\n C C5 1 0.54490378 0.85874430 0.00303351 1\n C C6 1 0.82700549 0.29277106 0.92756049 1\n C C7 1 0.11024429 0.35316686 0.72704978 1\n C C8 1 0.08414944 0.04550661 1.04542789 1\n C C9 1 0.81387529 0.36756099 0.36192439 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45636000\n_cell_length_b 3.66418000\n_cell_length_c 6.97166000\n_cell_angle_alpha 113.56481000\n_cell_angle_beta 110.60801000\n_cell_angle_gamma 70.43198000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.43814540\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80091092 0.09121879 0.84666876 1\n C C1 1 0.40398980 0.53379137 0.17099535 1\n C C2 1 -0.03334386 0.62232973 0.27786626 1\n C C3 1 0.97624387 0.63974547 0.79701734 1\n C C4 1 0.26309340 0.34291400 0.93400889 1\n C C5 1 0.39229861 0.51697028 0.65151233 1\n C C6 1 0.57003039 1.06520943 0.60172932 1\n C C7 1 1.10967938 0.81306264 0.51469244 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42250000\n_cell_length_b 4.17024000\n_cell_length_c 4.82289000\n_cell_angle_alpha 94.34985000\n_cell_angle_beta 119.94846000\n_cell_angle_gamma 89.67668000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.06618570\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07628640 0.35327300 0.77150010 1\n C C1 1 0.57652839 0.31667797 0.92406321 1\n C C2 1 0.57877468 0.41236118 0.42640717 1\n C C3 1 -0.07703427 0.25529506 0.26875319 1\n C C4 1 0.52056915 0.75756747 0.36526585 1\n C C5 1 0.98142815 0.90965140 0.32725618 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48021000\n_cell_length_b 3.68863000\n_cell_length_c 4.21763000\n_cell_angle_alpha 75.21604000\n_cell_angle_beta 89.99223000\n_cell_angle_gamma 70.33647000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97624932\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45768367 0.67357099 0.61936211 1\n C C1 1 0.23352046 0.11920344 0.41296313 1\n C C2 1 0.91392356 0.75920035 1.11561766 1\n C C3 1 0.71464729 0.15711109 0.19107894 1\n C C4 1 0.49211597 0.60242899 0.98455358 1\n C C5 1 0.03607056 0.51697874 0.48820587 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42550000\n_cell_length_b 4.85187000\n_cell_length_c 6.35485000\n_cell_angle_alpha 41.41342000\n_cell_angle_beta 67.69740000\n_cell_angle_gamma 60.08476000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.87641728\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.31260979 0.04904004 0.44537559 1\n C C1 1 0.03539814 0.64195243 0.50536773 1\n C C2 1 0.62746802 0.45628674 0.09822804 1\n C C3 1 0.69051385 0.45617504 0.53639882 1\n C C4 1 1.09688429 0.64171160 -0.05674543 1\n C C5 1 1.03733079 0.04912226 0.59619916 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45594000\n_cell_length_b 4.49886000\n_cell_length_c 7.10749000\n_cell_angle_alpha 93.62258000\n_cell_angle_beta 79.96008000\n_cell_angle_gamma 105.97858000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 74.33043955\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68472898 0.77587985 0.01162723 1\n C C1 1 0.45131682 0.12374234 0.82283874 1\n C C2 1 0.45507980 0.96183892 0.65505146 1\n C C3 1 0.92905862 0.83915556 0.58403006 1\n C C4 1 0.32407407 0.45414698 0.40096892 1\n C C5 1 0.85197795 0.57773725 0.47157774 1\n C C6 1 -0.11754408 0.10416979 -0.06156796 1\n C C7 1 0.89219868 0.31027976 0.11812130 1\n C C8 1 0.32386231 0.29070690 0.23366342 1\n C C9 1 0.09913765 0.63901295 1.04454259 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35885000\n_cell_length_b 3.38886000\n_cell_length_c 4.83168000\n_cell_angle_alpha 84.65687000\n_cell_angle_beta 59.62380000\n_cell_angle_gamma 65.49027000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.69272689\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47798957 0.25601900 0.34315796 1\n C C1 1 1.03933489 0.69939022 0.83976727 1\n C C2 1 0.63594085 0.10023462 0.02974321 1\n C C3 1 1.07509890 0.65707631 0.53293996 1\n C C4 1 0.68937601 0.04201084 0.53313881 1\n C C5 1 0.42417268 0.31403900 0.83986059 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56905000\n_cell_length_b 4.94550000\n_cell_length_c 7.62331000\n_cell_angle_alpha 89.98828000\n_cell_angle_beta 89.35966000\n_cell_angle_gamma 90.00717000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 96.84990697\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01794958 0.08658620 1.02504899 1\n C C1 1 0.52515544 0.92554184 0.78384533 1\n C C2 1 1.03235470 0.87018001 0.47085471 1\n C C3 1 1.02137074 0.87011476 0.29173357 1\n C C4 1 0.03391076 0.12366696 0.55169538 1\n C C5 1 0.02955114 0.37287411 0.47235208 1\n C C6 1 1.02320973 0.29868775 0.88220135 1\n C C7 1 1.02839639 0.08700415 0.73838783 1\n C C8 1 0.51979664 0.92536862 -0.01983693 1\n C C9 1 1.01810408 0.12363451 0.21140024 1\n C C10 1 0.03119572 0.62121287 0.58714274 1\n C C11 1 0.51799457 0.64532505 1.05512614 1\n C C12 1 0.01993148 0.37283925 0.29033558 1\n C C13 1 0.52720511 0.64532503 0.70909955 1\n C C14 1 0.01645907 0.62120517 0.17631034 1\n C C15 1 0.52268433 0.46669911 0.88234490 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.34027000\n_cell_length_b 3.70003000\n_cell_length_c 4.81909000\n_cell_angle_alpha 102.38703000\n_cell_angle_beta 89.21737000\n_cell_angle_gamma 127.20494000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.53113829\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91023231 0.44534077 0.00679072 1\n C C1 1 0.42608421 1.12973396 0.72002854 1\n C C2 1 0.19824307 -0.32866557 0.23854608 1\n C C3 1 0.52227872 0.67098726 0.23861057 1\n C C4 1 0.14118094 -0.09149929 0.48548083 1\n C C5 1 0.75261198 0.13037999 0.71993573 1\n C C6 1 0.81685864 0.90860013 0.48548732 1\n C C7 1 0.58399732 0.44453703 1.00692391 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47853000\n_cell_length_b 2.47814000\n_cell_length_c 6.77783000\n_cell_angle_alpha 68.56487000\n_cell_angle_beta 68.54572000\n_cell_angle_gamma 59.97219000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67459942\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82641875 0.58758811 0.71779346 1\n C C1 1 0.27122218 1.03016263 0.05221524 1\n C C2 1 0.38102073 0.13902044 0.38728985 1\n C C3 1 -0.00865172 0.75058928 0.47053798 1\n C C4 1 0.43776577 0.19873285 0.80113507 1\n C C5 1 0.54859170 0.30713819 0.13621861 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52326000\n_cell_length_b 4.45463000\n_cell_length_c 4.30678000\n_cell_angle_alpha 76.91974000\n_cell_angle_beta 85.32772000\n_cell_angle_gamma 97.58778000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.42831052\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17970259 0.24050665 1.01635178 1\n C C1 1 0.05208021 1.08845720 0.73453429 1\n C C2 1 0.64086211 0.11987204 0.21654243 1\n C C3 1 0.87910332 0.74820214 0.91359327 1\n C C4 1 0.54337615 0.54975649 0.50410523 1\n C C5 1 0.35441319 0.58074220 0.83746481 1\n C C6 1 0.59127908 0.20891906 0.53447984 1\n C C7 1 0.69081555 0.77938221 0.24690995 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44720000\n_cell_length_b 6.56128000\n_cell_length_c 7.58442000\n_cell_angle_alpha 76.82001000\n_cell_angle_beta 107.58771000\n_cell_angle_gamma 105.51520000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 110.41289279\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50769977 0.56860123 0.36565236 1\n C C1 1 0.10334816 0.69472428 0.38562606 1\n C C2 1 0.69032540 0.81274774 0.04486762 1\n C C3 1 0.74930995 0.27666421 0.24694031 1\n C C4 1 0.78313735 0.13067105 0.77085421 1\n C C5 1 0.35846573 0.37886856 0.30064292 1\n C C6 1 0.06483787 0.75364714 0.97478116 1\n C C7 1 0.58274869 1.04239322 0.21332375 1\n C C8 1 0.95561137 -0.08881507 0.58453207 1\n C C9 1 0.02127607 0.25245631 0.92908374 1\n C C10 1 0.34983351 0.82624698 0.53644859 1\n C C11 1 0.17725890 0.07127880 0.70074388 1\n C C12 1 0.79113997 0.58782089 0.86682723 1\n C C13 1 0.58677149 0.21206604 1.04790474 1\n C C14 1 0.18929438 0.48418615 0.85420183 1\n C C15 1 0.98997750 0.90787208 0.21587373 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45461000\n_cell_length_b 4.77572000\n_cell_length_c 7.02800000\n_cell_angle_alpha 82.20500000\n_cell_angle_beta 81.87030000\n_cell_angle_gamma 79.30428000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.63278621\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.17644699 0.64889077 0.04492173 1\n C C1 1 0.71102307 -0.19205304 0.46686535 1\n C C2 1 0.87006670 0.47747462 0.77683336 1\n C C3 1 0.64072511 0.56539810 0.37196205 1\n C C4 1 0.75101464 0.08703093 0.35694104 1\n C C5 1 0.33657408 0.43206760 0.90566952 1\n C C6 1 0.12728960 0.95155197 0.74355478 1\n C C7 1 0.61983821 0.29633098 0.50856354 1\n C C8 1 0.42652301 0.12728489 0.02086413 1\n C C9 1 0.28896964 0.18371038 0.23432944 1\n C C10 1 0.71879094 0.78938521 0.68060402 1\n C C11 1 0.02657195 0.95757211 0.96485444 1\n C C12 1 0.19280461 0.51560018 0.24214395 1\n C C13 1 0.06601313 0.25833901 0.63395024 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41493000\n_cell_length_b 3.41632000\n_cell_length_c 5.41215000\n_cell_angle_alpha 98.86821000\n_cell_angle_beta 98.83194000\n_cell_angle_gamma 93.90800000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.37303547\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80892180 0.24825513 0.07287377 1\n C C1 1 0.57134682 0.48772622 0.50501604 1\n C C2 1 0.53453060 0.93369995 0.89744922 1\n C C3 1 -0.18960899 0.73106314 0.73255977 1\n C C4 1 0.17959160 0.09958062 0.22079239 1\n C C5 1 0.32739113 0.73025626 0.07338405 1\n C C6 1 0.52666866 0.44718887 0.22562900 1\n C C7 1 1.01437937 0.45607984 0.89778179 1\n C C8 1 0.15910506 0.07985996 0.73707687 1\n C C9 1 0.27953935 0.19749222 0.50540480 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46318000\n_cell_length_b 3.79861000\n_cell_length_c 7.36945000\n_cell_angle_alpha 90.12669000\n_cell_angle_beta 80.38326000\n_cell_angle_gamma 108.93463000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.20574720\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13738833 0.20163869 0.90554778 1\n C C1 1 0.32572372 0.73553131 0.06336483 1\n C C2 1 0.73273814 0.66606181 0.18035486 1\n C C3 1 0.71832431 0.96001264 0.49807170 1\n C C4 1 1.14890107 0.91190255 0.58829587 1\n C C5 1 1.00979228 0.82722902 0.78855218 1\n C C6 1 0.54448972 0.13135615 0.02256871 1\n C C7 1 0.36890977 0.62039823 0.86375848 1\n C C8 1 0.50568046 0.24726441 0.22204284 1\n C C9 1 -0.13575209 0.04100939 0.29730946 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43212000\n_cell_length_b 4.25366000\n_cell_length_c 4.30464000\n_cell_angle_alpha 82.95722000\n_cell_angle_beta 80.00516000\n_cell_angle_gamma 83.81943000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.35617213\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25326811 0.47577443 1.10369600 1\n C C1 1 0.58676484 0.80996522 0.43602981 1\n C C2 1 0.69788601 0.58771067 0.21501859 1\n C C3 1 0.36457086 0.25469279 0.88139735 1\n C C4 1 1.03137115 0.92204400 0.54721139 1\n C C5 1 -0.07994807 0.14305739 0.76959796 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48420000\n_cell_length_b 3.82362000\n_cell_length_c 5.98137000\n_cell_angle_alpha 59.64675000\n_cell_angle_beta 78.04467000\n_cell_angle_gamma 71.03316000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.30107644\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18543334 0.30749191 0.39356710 1\n C C1 1 0.67541497 -0.11710508 0.83828776 1\n C C2 1 0.46162776 0.25479508 0.89451498 1\n C C3 1 0.85125264 0.37068122 1.00088364 1\n C C4 1 0.96961524 0.67888348 0.45047791 1\n C C5 1 -0.20393384 1.19114387 0.28745409 1\n C C6 1 0.42344624 0.60809787 0.61545871 1\n C C7 1 0.22130525 0.95407446 0.67325431 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28224000\n_cell_length_b 3.64210000\n_cell_length_c 5.23874000\n_cell_angle_alpha 52.62387000\n_cell_angle_beta 64.11607000\n_cell_angle_gamma 65.08558000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.69120087\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53313050 0.91518002 0.26198723 1\n C C1 1 0.03619892 0.85432490 0.76204141 1\n C C2 1 0.84627715 0.06744115 0.95079999 1\n C C3 1 0.34196381 0.50972864 0.45311648 1\n C C4 1 0.34400140 1.12759449 0.45130510 1\n C C5 1 1.03816221 0.47223119 0.76024359 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43255000\n_cell_length_b 4.31062000\n_cell_length_c 6.11025000\n_cell_angle_alpha 73.84051000\n_cell_angle_beta 81.44792000\n_cell_angle_gamma 102.15589000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.67496139\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27079370 -0.00369753 0.80483312 1\n C C1 1 0.77194959 0.74799796 0.55361844 1\n C C2 1 0.77210478 0.24828390 1.05345617 1\n C C3 1 0.77294045 0.41519467 0.21925963 1\n C C4 1 0.77229052 0.91403699 0.71991655 1\n C C5 1 0.27175078 0.16332570 0.97059152 1\n C C6 1 0.27198062 0.66372175 0.47035739 1\n C C7 1 0.27149685 0.49754925 0.30411157 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48397000\n_cell_length_b 3.92581000\n_cell_length_c 6.87519000\n_cell_angle_alpha 66.19638000\n_cell_angle_beta 90.03405000\n_cell_angle_gamma 71.56911000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.55626499\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62222168 0.15349802 0.84777274 1\n C C1 1 0.82366846 0.74591799 0.67578362 1\n C C2 1 0.20715770 -0.01600812 0.98501124 1\n C C3 1 0.80643677 0.78066472 0.44523537 1\n C C4 1 0.41308263 0.56839601 0.80162904 1\n C C5 1 0.43244604 0.53253818 0.03233908 1\n C C6 1 0.06297041 0.26973523 0.12033740 1\n C C7 1 0.17581485 0.04364063 0.35693321 1\n C C8 1 1.03371489 0.32975283 0.49202113 1\n C C9 1 0.61819069 0.16097570 0.62899556 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47381000\n_cell_length_b 4.28124000\n_cell_length_c 4.80173000\n_cell_angle_alpha 90.02054000\n_cell_angle_beta 120.99542000\n_cell_angle_gamma 89.98058000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.59333240\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70086284 0.13633178 0.12554689 1\n C C1 1 0.07451139 0.13625113 0.49957582 1\n C C2 1 0.07440603 0.30290034 -0.00042437 1\n C C3 1 0.57451139 0.63625113 0.49957582 1\n C C4 1 1.20086284 0.63633178 0.12554689 1\n C C5 1 0.70075748 0.30298099 0.62554671 1\n C C6 1 0.20075748 0.80298099 0.62554671 1\n C C7 1 0.57440603 0.80290034 -0.00042437 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48743000\n_cell_length_b 4.30129000\n_cell_length_c 4.30391000\n_cell_angle_alpha 80.46422000\n_cell_angle_beta 89.94857000\n_cell_angle_gamma 106.74786000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.42794725\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29805722 0.37897364 0.67898665 1\n C C1 1 0.79785960 0.37899875 0.17899596 1\n C C2 1 0.54807685 0.87897930 0.92921044 1\n C C3 1 0.98536937 0.75403577 0.11630279 1\n C C4 1 0.48545167 0.75401510 0.61629469 1\n C C5 1 0.73537304 0.25403915 0.86608310 1\n C C6 1 0.23517170 0.25402396 0.36607428 1\n C C7 1 1.04809815 0.87897713 0.42920687 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47392000\n_cell_length_b 4.11760000\n_cell_length_c 4.28208000\n_cell_angle_alpha 90.00233000\n_cell_angle_beta 90.00190000\n_cell_angle_gamma 90.00297000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61989164\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36592400 1.05912656 0.81532995 1\n C C1 1 0.86531153 0.68401738 0.31515669 1\n C C2 1 -0.13405922 0.18407779 -0.01799932 1\n C C3 1 0.86553141 0.05907796 0.31532235 1\n C C4 1 0.36553816 0.68406873 0.81516327 1\n C C5 1 0.36554309 0.18402343 0.48200175 1\n C C6 1 0.86554227 0.55911905 0.98182947 1\n C C7 1 0.36531417 0.55907451 0.48183254 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47546000\n_cell_length_b 4.78994000\n_cell_length_c 4.79740000\n_cell_angle_alpha 51.75103000\n_cell_angle_beta 89.98586000\n_cell_angle_gamma 89.95778000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.67277173\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46680910 1.02656110 0.33229266 1\n C C1 1 0.46683127 0.06310455 0.62918322 1\n C C2 1 0.96691144 0.44857127 0.75539626 1\n C C3 1 -0.03320702 0.64134941 0.20633883 1\n C C4 1 0.96666398 0.27109020 0.57634359 1\n C C5 1 0.46679395 0.69384378 0.99869043 1\n C C6 1 0.46684879 0.39572945 0.96294224 1\n C C7 1 0.96699980 0.81876273 0.38540448 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47995000\n_cell_length_b 3.68752000\n_cell_length_c 4.89646000\n_cell_angle_alpha 93.01804000\n_cell_angle_beta 120.41969000\n_cell_angle_gamma 109.62088000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97793709\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17660244 0.21562813 0.18734138 1\n C C1 1 1.05306211 0.81825923 0.26296068 1\n C C2 1 0.22469524 0.30460149 0.69163966 1\n C C3 1 0.79511116 0.85885902 0.48504762 1\n C C4 1 0.67270400 0.46207735 0.56132042 1\n C C5 1 0.62407665 0.37240108 1.05642444 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45682000\n_cell_length_b 3.66566000\n_cell_length_c 6.40418000\n_cell_angle_alpha 74.60503000\n_cell_angle_beta 90.06010000\n_cell_angle_gamma 109.65570000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.11770510\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75635602 0.39917389 0.24995768 1\n C C1 1 1.10219715 1.09366739 0.59070988 1\n C C2 1 -0.14805047 0.59473811 0.01347537 1\n C C3 1 0.47815434 0.84845683 0.67695668 1\n C C4 1 0.20518051 0.29626394 0.35519700 1\n C C5 1 0.69961751 0.28829915 0.87511121 1\n C C6 1 0.25498515 0.39995453 0.72942695 1\n C C7 1 0.47348839 -0.16012284 0.92583282 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.57449000\n_cell_length_b 3.64462000\n_cell_length_c 5.38500000\n_cell_angle_alpha 109.12215000\n_cell_angle_beta 63.65885000\n_cell_angle_gamma 88.85808000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.95973438\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72402020 0.78938185 0.68671331 1\n C C1 1 0.91801464 0.38637928 0.49630867 1\n C C2 1 0.22126954 0.73341279 0.18783264 1\n C C3 1 -0.08215462 1.00171443 0.49610731 1\n C C4 1 0.22108674 0.34865914 0.18770772 1\n C C5 1 0.40959300 -0.05409319 -0.00302005 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43242000\n_cell_length_b 4.20261000\n_cell_length_c 9.11955000\n_cell_angle_alpha 111.87966000\n_cell_angle_beta 94.74723000\n_cell_angle_gamma 90.06036000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.16154871\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79880104 0.48367091 1.01911053 1\n C C1 1 0.46338323 0.59704725 0.35304166 1\n C C2 1 0.05084829 0.68750110 0.68649214 1\n C C3 1 0.55103888 0.51974404 0.68578640 1\n C C4 1 -0.03661677 0.09704725 0.35304166 1\n C C5 1 0.46367974 0.26428991 0.35313003 1\n C C6 1 -0.20143764 0.15089169 1.01908268 1\n C C7 1 0.96367974 0.76428991 0.35313003 1\n C C8 1 0.29856236 0.65089169 1.01908268 1\n C C9 1 0.55084829 0.18750110 0.68649214 1\n C C10 1 1.05103888 1.01974404 0.68578640 1\n C C11 1 0.29880104 0.98367091 1.01911053 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.66702000\n_cell_length_b 4.67672000\n_cell_length_c 3.77795000\n_cell_angle_alpha 72.37786000\n_cell_angle_beta 77.55787000\n_cell_angle_gamma 89.56012000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.18441415\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50612528 0.97271164 0.62978225 1\n C C1 1 0.66638371 0.26214206 0.46805228 1\n C C2 1 0.98004564 -0.05472368 0.14981781 1\n C C3 1 0.69256509 0.78373411 0.44243178 1\n C C4 1 0.21388938 0.81245201 0.91817798 1\n C C5 1 -0.02462263 0.25838611 1.15503356 1\n C C6 1 0.21861332 0.50003647 0.91253763 1\n C C7 1 0.52904170 0.49525028 0.60085590 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46366000\n_cell_length_b 3.39279000\n_cell_length_c 5.28789000\n_cell_angle_alpha 93.30115000\n_cell_angle_beta 90.00827000\n_cell_angle_gamma 111.17178000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.13757564\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23861296 0.60958054 0.37661668 1\n C C1 1 0.87193175 0.86774453 0.77748238 1\n C C2 1 0.09987667 0.32080657 0.84834881 1\n C C3 1 0.27854189 0.68036145 0.65163329 1\n C C4 1 0.69308659 0.50857339 0.97459548 1\n C C5 1 0.72195424 0.57551272 0.24966415 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.21964000\n_cell_length_b 2.48028000\n_cell_length_c 3.68915000\n_cell_angle_alpha 109.67281000\n_cell_angle_beta 104.86498000\n_cell_angle_gamma 90.00683000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98081560\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26054255 0.04658454 0.74034665 1\n C C1 1 0.48216380 0.56577824 0.77924046 1\n C C2 1 0.68876511 0.79063536 0.22519221 1\n C C3 1 0.05390996 0.82391460 0.29477764 1\n C C4 1 0.55771537 0.36879346 0.38147900 1\n C C5 1 0.18464851 0.24554860 0.13762035 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44939000\n_cell_length_b 6.16201000\n_cell_length_c 6.43184000\n_cell_angle_alpha 84.81254000\n_cell_angle_beta 90.05709000\n_cell_angle_gamma 87.49484000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 96.58562857\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91176388 0.52379743 0.95006353 1\n C C1 1 0.91574392 0.48119889 0.72682605 1\n C C2 1 0.40123547 0.60388447 0.25911800 1\n C C3 1 1.41020074 0.54230665 0.05206597 1\n C C4 1 -0.03757790 0.09666349 0.48670392 1\n C C5 1 -0.09959266 0.68789655 0.57490710 1\n C C6 1 -0.03891825 0.05513653 0.26338056 1\n C C7 1 0.45018319 0.21187838 0.54168213 1\n C C8 1 0.46452716 -0.01623355 0.95262715 1\n C C9 1 0.42999505 0.36703177 0.67085454 1\n C C10 1 0.96812253 0.94211906 0.85714934 1\n C C11 1 0.89696758 0.64420794 0.35555350 1\n C C12 1 0.96803039 0.89084793 0.64013658 1\n C C13 1 0.46070942 0.04411934 0.15960812 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48051000\n_cell_length_b 3.68910000\n_cell_length_c 4.21835000\n_cell_angle_alpha 104.80038000\n_cell_angle_beta 90.00178000\n_cell_angle_gamma 109.65161000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99009432\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65817243 0.76642515 0.96555719 1\n C C1 1 0.08014453 0.61001808 0.09673951 1\n C C2 1 0.53817188 0.52393808 0.59276333 1\n C C3 1 0.11679843 0.68111738 0.46187621 1\n C C4 1 -0.14067718 0.16467400 0.89044691 1\n C C5 1 0.33960921 1.12638151 0.66820484 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42991000\n_cell_length_b 3.38317000\n_cell_length_c 5.81268000\n_cell_angle_alpha 83.98003000\n_cell_angle_beta 88.87484000\n_cell_angle_gamma 66.83227000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.67687478\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77541275 0.60231249 0.71107779 1\n C C1 1 1.10878555 0.93554819 0.37771561 1\n C C2 1 0.55193325 0.04852657 0.26635505 1\n C C3 1 0.88505465 0.38200333 0.93307626 1\n C C4 1 0.44180798 0.26920271 0.04449973 1\n C C5 1 0.21871993 0.71502249 0.59961795 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50195000\n_cell_length_b 2.47034000\n_cell_length_c 7.78838000\n_cell_angle_alpha 89.99846000\n_cell_angle_beta 89.63699000\n_cell_angle_gamma 90.04280000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.13640492\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71055107 0.86876968 0.65091865 1\n C C1 1 0.71094791 0.86878797 1.02173830 1\n C C2 1 0.21537273 0.36862809 0.42179745 1\n C C3 1 0.70923269 0.36881492 0.93319724 1\n C C4 1 0.70872132 0.36878352 0.75288163 1\n C C5 1 0.71701494 0.36859289 0.30425544 1\n C C6 1 0.21385987 0.86868774 0.53314194 1\n C C7 1 0.71642276 -0.13140493 0.20226965 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50937000\n_cell_length_b 4.39498000\n_cell_length_c 7.66569000\n_cell_angle_alpha 83.69176000\n_cell_angle_beta 75.60214000\n_cell_angle_gamma 76.84357000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.61012941\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29627223 0.40892139 0.29071574 1\n C C1 1 1.10703285 0.94122935 0.26012111 1\n C C2 1 0.75067308 0.80948353 0.86169911 1\n C C3 1 0.16809476 0.49212391 0.45653320 1\n C C4 1 0.50142963 0.16255503 0.90257524 1\n C C5 1 0.36246775 0.72783837 0.75354667 1\n C C6 1 0.54595550 0.36360464 0.72526241 1\n C C7 1 0.20175629 0.65501175 0.15288156 1\n C C8 1 1.00079535 0.83982839 0.46629856 1\n C C9 1 0.76831726 0.60505144 0.03583100 1\n C C10 1 1.17493519 0.28115043 0.61729350 1\n C C11 1 0.59933203 0.12409735 0.20730132 1\n C C12 1 0.86565799 0.25008776 1.00802581 1\n C C13 1 0.38469580 0.93186057 0.57202867 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05261000\n_cell_length_b 2.42946000\n_cell_length_c 8.90986000\n_cell_angle_alpha 112.73045000\n_cell_angle_beta 102.98628000\n_cell_angle_gamma 70.22628000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.01432986\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79497130 0.29919033 0.74952978 1\n C C1 1 0.88067917 0.88152883 0.83275181 1\n C C2 1 0.29140704 0.80117206 0.25008112 1\n C C3 1 0.63191712 1.13154097 0.58280997 1\n C C4 1 1.03998684 0.05129056 -0.00003627 1\n C C5 1 0.12464232 0.63408513 0.08314851 1\n C C6 1 0.37765197 0.38317881 0.33309324 1\n C C7 1 0.54658324 0.54892272 0.49961315 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47515000\n_cell_length_b 4.24856000\n_cell_length_c 3.72233000\n_cell_angle_alpha 64.03555000\n_cell_angle_beta 90.03707000\n_cell_angle_gamma 90.02015000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.19245546\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25382547 0.81522461 0.93258989 1\n C C1 1 0.75386981 0.31449488 0.38735501 1\n C C2 1 0.25390297 0.53737731 0.36751738 1\n C C3 1 0.75370731 0.31433402 0.97902772 1\n C C4 1 0.25391159 0.53686449 0.77607829 1\n C C5 1 0.75379584 0.03649990 0.82183171 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43941000\n_cell_length_b 6.40969000\n_cell_length_c 8.64321000\n_cell_angle_alpha 132.10126000\n_cell_angle_beta 89.98964000\n_cell_angle_gamma 100.97332000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 96.91990628\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94868441 0.53186217 0.73453873 1\n C C1 1 0.74313652 0.15206998 0.73870026 1\n C C2 1 0.39434413 0.45724390 0.06833116 1\n C C3 1 0.79707270 0.24262669 0.50815524 1\n C C4 1 0.95654394 0.57994738 0.17436191 1\n C C5 1 0.07402625 0.81039539 0.40831557 1\n C C6 1 0.63419373 -0.09409623 0.05938904 1\n C C7 1 0.97105036 0.60265792 0.43579241 1\n C C8 1 0.28493442 0.23449975 0.84553559 1\n C C9 1 0.41771210 0.49533278 0.43281563 1\n C C10 1 0.51564704 0.66505580 0.83738532 1\n C C11 1 0.29314143 0.23477177 0.40301030 1\n C C12 1 0.66910966 0.99839442 0.50921714 1\n C C13 1 0.18379629 0.00485210 0.16844250 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49146000\n_cell_length_b 3.59376000\n_cell_length_c 4.35359000\n_cell_angle_alpha 95.70407000\n_cell_angle_beta 106.61224000\n_cell_angle_gamma 69.66744000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02632744\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36431101 0.62202338 0.14412178 1\n C C1 1 0.55234880 0.62199730 0.52022341 1\n C C2 1 0.44654941 0.25132477 0.93828055 1\n C C3 1 0.92264159 -0.11935020 0.52020952 1\n C C4 1 0.84040319 0.25134841 0.72605076 1\n C C5 1 0.73460380 0.88067588 0.14410789 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43281000\n_cell_length_b 3.11451000\n_cell_length_c 8.38313000\n_cell_angle_alpha 93.76126000\n_cell_angle_beta 89.99964000\n_cell_angle_gamma 113.35992000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.16350018\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76376408 0.28344846 0.26914630 1\n C C1 1 0.76182448 0.27993939 0.60297382 1\n C C2 1 0.27141678 0.29794754 0.35284027 1\n C C3 1 0.23069918 0.22503780 0.85131103 1\n C C4 1 0.73855723 0.23963081 0.76818921 1\n C C5 1 0.27086971 0.29719540 0.51993935 1\n C C6 1 0.23123195 0.22663260 0.01793578 1\n C C7 1 0.73880669 0.24073772 0.10168473 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48240000\n_cell_length_b 4.66929000\n_cell_length_c 12.51338000\n_cell_angle_alpha 88.71628000\n_cell_angle_beta 107.30959000\n_cell_angle_gamma 122.12324000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 115.60862469\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19031245 0.36885546 0.87446967 1\n C C1 1 0.23989563 0.98259297 0.16625346 1\n C C2 1 -0.10265497 0.79595659 0.72777736 1\n C C3 1 0.60657638 0.22547604 0.91453812 1\n C C4 1 0.97337021 1.21577117 0.16658597 1\n C C5 1 -0.06897275 0.30357210 0.74459799 1\n C C6 1 0.16015046 0.86185884 0.85915062 1\n C C7 1 0.63125422 0.07509086 0.36553567 1\n C C8 1 1.16271884 0.76514152 0.25985542 1\n C C9 1 0.17856915 0.12716921 0.69368967 1\n C C10 1 -0.02250754 0.92319577 1.03117578 1\n C C11 1 0.60379576 0.73093678 0.90917776 1\n C C12 1 0.70434360 0.14691999 0.03325690 1\n C C13 1 -0.21649747 0.42094314 0.56764723 1\n C C14 1 1.38157294 0.32550422 0.36536701 1\n C C15 1 0.59236496 -0.12493069 0.47133166 1\n C C16 1 0.14978050 0.60528704 0.68960567 1\n C C17 1 0.42538795 0.52755966 0.25994585 1\n C C18 1 -0.15095489 0.63257934 0.47085217 1\n C C19 1 0.04973827 0.18515337 0.56901634 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51363000\n_cell_length_b 4.57742000\n_cell_length_c 6.39218000\n_cell_angle_alpha 97.97624000\n_cell_angle_beta 99.61874000\n_cell_angle_gamma 78.04640000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.52684084\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02831538 0.47756811 0.62732769 1\n C C1 1 0.47842992 0.15446974 0.18704533 1\n C C2 1 0.06364657 1.05834401 0.29550572 1\n C C3 1 1.12443225 0.15123392 0.53719160 1\n C C4 1 0.23743472 0.48005307 0.12475831 1\n C C5 1 0.61010454 0.10328343 -0.03517506 1\n C C6 1 0.63955916 0.89539678 0.80374627 1\n C C7 1 0.21714687 0.71264797 0.31580749 1\n C C8 1 0.70408109 0.98638187 0.59769410 1\n C C9 1 0.57443299 0.56942606 0.76884354 1\n C C10 1 0.79592703 0.69156481 0.45420332 1\n C C11 1 0.68376778 0.43122052 0.97992869 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47229000\n_cell_length_b 3.23221000\n_cell_length_c 6.17439000\n_cell_angle_alpha 57.04575000\n_cell_angle_beta 78.43900000\n_cell_angle_gamma 67.52828000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.25543597\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90993222 0.39620734 0.33634659 1\n C C1 1 0.40014939 0.00405383 0.74556160 1\n C C2 1 0.72378336 -0.01416008 0.11680272 1\n C C3 1 0.40922158 1.24424134 0.48929424 1\n C C4 1 0.89965972 0.85171766 0.89853849 1\n C C5 1 1.08588643 0.26185961 0.11798247 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51672000\n_cell_length_b 3.51709000\n_cell_length_c 3.31837000\n_cell_angle_alpha 90.00491000\n_cell_angle_beta 90.00005000\n_cell_angle_gamma 119.97962000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.55214939\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92752482 0.29102119 0.21160615 1\n C C1 1 0.39133887 0.52282359 0.37790804 1\n C C2 1 0.62343045 -0.01362998 0.54362330 1\n C C3 1 0.39149399 0.21810811 0.71147068 1\n C C4 1 0.69576859 0.52264652 0.04353518 1\n C C5 1 0.92744077 0.98624018 0.87789906 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.82696000\n_cell_length_b 4.25980000\n_cell_length_c 5.34739000\n_cell_angle_alpha 77.77210000\n_cell_angle_beta 83.16413000\n_cell_angle_gamma 65.95081000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 77.74825479\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15047491 0.66511018 0.25314669 1\n C C1 1 0.92208641 1.02223952 0.71636595 1\n C C2 1 0.77273813 0.31720867 0.25613431 1\n C C3 1 0.61833239 0.17243772 0.49650404 1\n C C4 1 0.00546199 0.33303975 0.75975914 1\n C C5 1 0.47969489 0.92029166 0.40571156 1\n C C6 1 0.30922001 0.18320291 0.97911373 1\n C C7 1 0.44671583 0.43559915 1.06905170 1\n C C8 1 0.77611679 0.69053491 0.22149580 1\n C C9 1 0.32036089 0.74782883 0.63601454 1\n C C10 1 0.60700570 0.60761865 0.83917494 1\n C C11 1 0.67666346 0.88230070 -0.06753762 1\n C C12 1 0.15420842 0.03822821 0.21843266 1\n C C13 1 0.25013918 0.47339353 0.54293249 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47770000\n_cell_length_b 2.47800000\n_cell_length_c 6.77758000\n_cell_angle_alpha 89.96990000\n_cell_angle_beta 111.41293000\n_cell_angle_gamma 120.03092000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67146349\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78845253 0.60033066 0.08685935 1\n C C1 1 0.56547810 -0.01130891 0.17021631 1\n C C2 1 0.67174333 0.54249256 0.50092787 1\n C C3 1 1.00962199 0.71172684 0.75184240 1\n C C4 1 0.45522526 0.43442009 0.83596508 1\n C C5 1 0.89313070 0.15301826 0.41744278 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43278000\n_cell_length_b 3.78330000\n_cell_length_c 4.91638000\n_cell_angle_alpha 85.69225000\n_cell_angle_beta 103.88323000\n_cell_angle_gamma 90.81803000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.80372301\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08409233 0.96279690 0.77930134 1\n C C1 1 0.58257047 0.29616866 0.11262271 1\n C C2 1 1.02866048 0.18354650 0.00308833 1\n C C3 1 0.24925103 0.62935808 0.44591111 1\n C C4 1 0.69533363 0.51677569 0.33636096 1\n C C5 1 0.36198213 0.85011647 0.66970914 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50381000\n_cell_length_b 4.80590000\n_cell_length_c 6.30016000\n_cell_angle_alpha 101.67339000\n_cell_angle_beta 78.38660000\n_cell_angle_gamma 105.19620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.75901691\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19999912 0.94904019 0.30314266 1\n C C1 1 0.38100000 0.54743284 0.53721681 1\n C C2 1 0.36744202 0.86169894 0.88049632 1\n C C3 1 0.64943675 0.38594249 0.83490931 1\n C C4 1 0.46701254 0.16769487 -0.01948191 1\n C C5 1 1.10101164 1.00595818 0.56065509 1\n C C6 1 0.38271265 0.21798537 0.20191581 1\n C C7 1 0.65044029 0.76385243 0.21228740 1\n C C8 1 -0.24764183 0.70790561 -0.04473876 1\n C C9 1 1.20077734 0.32750533 0.68066300 1\n C C10 1 0.48426293 0.85274174 0.63711575 1\n C C11 1 0.46383726 0.49655980 0.31582122 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.75191000\n_cell_length_b 3.42343000\n_cell_length_c 6.13399000\n_cell_angle_alpha 116.76189000\n_cell_angle_beta 110.69416000\n_cell_angle_gamma 103.47038000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.10929691\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99122701 0.79478078 0.49424945 1\n C C1 1 0.35752326 0.25554141 0.72907381 1\n C C2 1 0.62872749 0.79492464 0.49391643 1\n C C3 1 0.89144791 0.33659546 0.26132269 1\n C C4 1 0.72852429 0.25304574 0.72681191 1\n C C5 1 0.42774923 1.03745816 0.11256988 1\n C C6 1 0.19217415 0.55193094 0.87571021 1\n C C7 1 0.26231515 0.33390177 0.25936971 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44609000\n_cell_length_b 6.09683000\n_cell_length_c 8.16860000\n_cell_angle_alpha 93.45580000\n_cell_angle_beta 91.39944000\n_cell_angle_gamma 101.63891000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 119.01634315\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46844366 0.20281138 0.92311547 1\n C C1 1 0.02410331 0.72557440 0.18134777 1\n C C2 1 0.55796207 0.77198133 0.73844081 1\n C C3 1 0.38378604 0.15708298 0.74713222 1\n C C4 1 0.87200451 0.45531437 0.57143496 1\n C C5 1 1.13675402 0.90490528 0.69621914 1\n C C6 1 1.02499351 0.71632210 0.00290126 1\n C C7 1 0.98764987 0.22171501 1.00448886 1\n C C8 1 1.03850876 0.25741194 0.17558425 1\n C C9 1 0.52756478 0.73248217 0.26745260 1\n C C10 1 0.92952351 0.24286087 0.66426311 1\n C C11 1 0.52497004 0.71970867 0.91650332 1\n C C12 1 0.55863727 0.27725770 0.25730557 1\n C C13 1 -0.37539251 0.26901115 0.43277214 1\n C C14 1 0.52494363 0.77780002 0.45105070 1\n C C15 1 0.44617951 0.59609312 0.58344339 1\n C C16 1 0.07759968 0.90862551 0.50783261 1\n C C17 1 0.06381094 0.15083331 0.49175852 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42976000\n_cell_length_b 4.68358000\n_cell_length_c 5.66762000\n_cell_angle_alpha 108.26089000\n_cell_angle_beta 101.09371000\n_cell_angle_gamma 103.75079000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.94897218\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22434964 0.16408191 0.98243527 1\n C C1 1 0.72120306 0.74445823 0.39656609 1\n C C2 1 0.72456862 0.91397850 0.23257313 1\n C C3 1 0.72383137 0.41346403 0.73171021 1\n C C4 1 0.22392206 0.66320722 0.48171795 1\n C C5 1 0.22161201 0.49519758 0.64704705 1\n C C6 1 0.72240230 0.24619614 -0.10191260 1\n C C7 1 0.22197435 0.99542839 1.14757490 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03498000\n_cell_length_b 2.43067000\n_cell_length_c 8.74425000\n_cell_angle_alpha 106.19809000\n_cell_angle_beta 69.98093000\n_cell_angle_gamma 93.16328000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.14493676\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67863639 0.08782871 1.03259308 1\n C C1 1 0.68717573 0.00400897 0.44816775 1\n C C2 1 0.67916219 0.58826142 0.53268690 1\n C C3 1 0.69218329 0.83719101 0.28100950 1\n C C4 1 0.66478896 0.75504527 0.70069867 1\n C C5 1 0.66056476 0.33914963 0.78485799 1\n C C6 1 0.69180549 0.25333319 0.19736188 1\n C C7 1 0.67201498 0.50433310 0.94973553 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48126000\n_cell_length_b 3.74201000\n_cell_length_c 5.36218000\n_cell_angle_alpha 134.18654000\n_cell_angle_beta 89.95073000\n_cell_angle_gamma 90.00598000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.70117753\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56373168 0.44798938 0.15982088 1\n C C1 1 1.06366595 0.21856210 0.15960922 1\n C C2 1 0.56357731 0.42034168 0.86436660 1\n C C3 1 0.56375364 0.01011993 0.45502648 1\n C C4 1 0.06362820 0.65671853 0.86419624 1\n C C5 1 0.06377892 0.24680309 0.45459218 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43623000\n_cell_length_b 5.23817000\n_cell_length_c 6.06877000\n_cell_angle_alpha 100.95503000\n_cell_angle_beta 119.48772000\n_cell_angle_gamma 95.76404000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.45771324\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09021870 0.58219722 0.49679225 1\n C C1 1 0.79476076 0.86826659 0.13782240 1\n C C2 1 0.62730576 1.01431782 0.92905823 1\n C C3 1 0.28927306 0.37749607 0.64663256 1\n C C4 1 0.41848536 -0.16556239 0.25603699 1\n C C5 1 0.65432325 0.38459817 0.23352403 1\n C C6 1 -0.08380681 1.00041824 0.75790150 1\n C C7 1 0.64687515 0.75610646 0.51244635 1\n C C8 1 0.98797915 0.27788464 0.12789134 1\n C C9 1 0.81622132 0.25992369 0.68096235 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45388000\n_cell_length_b 5.61736000\n_cell_length_c 5.61378000\n_cell_angle_alpha 93.16155000\n_cell_angle_beta 64.01457000\n_cell_angle_gamma 64.07371000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.57437988\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02717263 0.53171535 0.90649088 1\n C C1 1 0.26369180 0.24143475 0.46105029 1\n C C2 1 0.26389785 0.42632279 0.27531155 1\n C C3 1 1.02641995 0.87249238 0.56572230 1\n C C4 1 0.89964181 0.43626440 0.12995392 1\n C C5 1 0.66159068 0.72727775 0.57583952 1\n C C6 1 -0.10074193 0.09616065 0.47097789 1\n C C7 1 0.66265791 0.54183072 0.76110036 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47080000\n_cell_length_b 4.78546000\n_cell_length_c 7.27035000\n_cell_angle_alpha 104.06870000\n_cell_angle_beta 100.45130000\n_cell_angle_gamma 119.19444000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.07251798\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67463709 0.81235261 0.40222640 1\n C C1 1 0.10515158 0.20865262 0.09292025 1\n C C2 1 0.27108875 0.95390652 0.34155749 1\n C C3 1 0.62959645 0.28818010 -0.00222244 1\n C C4 1 0.16614650 0.65053344 0.00637592 1\n C C5 1 0.29605624 0.21559436 0.77431662 1\n C C6 1 -0.17443350 0.84145512 0.62619470 1\n C C7 1 0.30000624 0.42565191 0.31410286 1\n C C8 1 0.91221298 0.85468739 0.10273999 1\n C C9 1 0.99642998 0.44404406 0.77813107 1\n C C10 1 1.11968925 0.62131652 0.62856581 1\n C C11 1 0.74934694 0.34000357 0.40870523 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48743000\n_cell_length_b 3.87789000\n_cell_length_c 7.12612000\n_cell_angle_alpha 86.01934000\n_cell_angle_beta 100.04420000\n_cell_angle_gamma 89.99319000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.51637389\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52126452 0.33791923 0.19751111 1\n C C1 1 0.84804528 0.62166533 0.85520275 1\n C C2 1 0.23438203 0.30280779 0.63676680 1\n C C3 1 0.43080780 0.10114096 1.01783990 1\n C C4 1 0.93150280 0.85875646 1.01911998 1\n C C5 1 0.70546393 0.13674060 0.57763680 1\n C C6 1 0.60268531 0.05650492 0.36283650 1\n C C7 1 0.34637899 0.38287560 0.85216821 1\n C C8 1 1.02068561 0.58065151 0.19616839 1\n C C9 1 0.10127754 0.81854263 0.35975286 1\n C C10 1 1.19855712 0.65644913 0.56170852 1\n C C11 1 -0.25621383 0.78347195 0.65368989 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45220000\n_cell_length_b 4.51084000\n_cell_length_c 7.05632000\n_cell_angle_alpha 81.00646000\n_cell_angle_beta 110.35649000\n_cell_angle_gamma 105.76447000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.26068006\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94793004 0.32003078 0.34735829 1\n C C1 1 0.29995503 0.30692609 0.70797690 1\n C C2 1 1.03354176 0.10994568 0.53864111 1\n C C3 1 0.15810843 0.67694613 0.38127807 1\n C C4 1 0.16860741 0.63576685 0.91028803 1\n C C5 1 0.28973584 0.23556995 0.23131864 1\n C C6 1 0.46554797 0.18897169 0.93128459 1\n C C7 1 1.06868684 0.88732369 0.18585264 1\n C C8 1 0.12290310 0.33714790 0.01417725 1\n C C9 1 -0.17218438 0.76185681 0.50915187 1\n C C10 1 0.90653711 0.53805124 0.69945486 1\n C C11 1 0.42289663 0.87923960 0.04303734 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48140000\n_cell_length_b 3.68973000\n_cell_length_c 4.89494000\n_cell_angle_alpha 67.05427000\n_cell_angle_beta 59.53727000\n_cell_angle_gamma 70.34339000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02588021\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84589554 0.48767982 0.21139969 1\n C C1 1 0.15854149 1.00471755 0.63998405 1\n C C2 1 0.82873390 0.93277787 0.00517828 1\n C C3 1 0.14244403 0.45003792 0.43362345 1\n C C4 1 0.11966482 0.08990268 0.13601752 1\n C C5 1 -0.13195289 0.84822336 0.50866441 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37845000\n_cell_length_b 3.42014000\n_cell_length_c 4.23965000\n_cell_angle_alpha 77.23388000\n_cell_angle_beta 77.76896000\n_cell_angle_gamma 64.91018000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.88026263\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80463724 -0.13863028 0.71213259 1\n C C1 1 0.53396919 0.81892752 1.01873239 1\n C C2 1 0.59091239 0.26162098 0.52152245 1\n C C3 1 1.19072803 0.47648203 0.71228972 1\n C C4 1 0.74871521 0.41883431 0.20921144 1\n C C5 1 0.14950345 0.20441985 1.01891051 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46312000\n_cell_length_b 3.39408000\n_cell_length_c 5.28790000\n_cell_angle_alpha 86.51638000\n_cell_angle_beta 89.96682000\n_cell_angle_gamma 68.72421000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.10696717\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22166311 1.09687785 0.85656826 1\n C C1 1 0.67293964 0.19726577 0.45462610 1\n C C2 1 0.25902574 0.02729777 0.13164990 1\n C C3 1 1.07890774 0.38525704 0.32808667 1\n C C4 1 -0.29467450 1.13032892 0.72967546 1\n C C5 1 0.85345167 0.83884975 0.25728502 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.70161000\n_cell_length_b 4.94093000\n_cell_length_c 4.20289000\n_cell_angle_alpha 98.58947000\n_cell_angle_beta 68.58177000\n_cell_angle_gamma 57.05474000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.76724448\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99221982 0.37264753 0.48112123 1\n C C1 1 0.08932934 0.79151428 0.92149162 1\n C C2 1 0.79159380 1.13020025 0.89241916 1\n C C3 1 0.51174307 0.45461561 0.55313869 1\n C C4 1 0.60854478 0.12749980 0.62106835 1\n C C5 1 0.03041301 0.79022100 0.25301300 1\n C C6 1 0.32851057 0.45161671 0.28207530 1\n C C7 1 0.12796580 0.20918262 0.69369046 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47977000\n_cell_length_b 3.68669000\n_cell_length_c 4.88874000\n_cell_angle_alpha 93.00683000\n_cell_angle_beta 120.40573000\n_cell_angle_gamma 109.59399000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.93033550\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43319651 0.69648363 1.22795140 1\n C C1 1 0.31041892 0.29930019 0.30374815 1\n C C2 1 0.05192754 0.33896694 0.52592430 1\n C C3 1 0.48135363 0.78482820 0.73227262 1\n C C4 1 -0.07121073 -0.05871722 0.60167565 1\n C C5 1 0.88162703 0.85382887 0.09731647 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.67278000\n_cell_length_b 5.47210000\n_cell_length_c 4.81535000\n_cell_angle_alpha 48.18517000\n_cell_angle_beta 94.61146000\n_cell_angle_gamma 118.44742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.02280265\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83596179 0.13319278 0.76449649 1\n C C1 1 0.77933037 0.07593574 0.32323944 1\n C C2 1 0.43409177 0.72990071 -0.02273210 1\n C C3 1 1.04878788 0.34610334 0.36020697 1\n C C4 1 0.39365070 0.69245891 0.70637245 1\n C C5 1 -0.00797011 0.28910712 0.91875266 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35885000\n_cell_length_b 3.41104000\n_cell_length_c 11.35136000\n_cell_angle_alpha 85.72926000\n_cell_angle_beta 85.75670000\n_cell_angle_gamma 90.48115000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 129.32519971\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87387961 0.75858007 1.08142332 1\n C C1 1 1.03050528 0.10270323 0.75024354 1\n C C2 1 0.60996857 0.33779059 0.47117366 1\n C C3 1 0.69401971 0.77112180 0.75000077 1\n C C4 1 -0.32115793 0.89510294 0.19678972 1\n C C5 1 0.56027935 0.60976969 1.00648602 1\n C C6 1 0.74748558 0.79896151 0.61515229 1\n C C7 1 0.95255178 0.46794072 0.81313852 1\n C C8 1 0.14198756 0.68106917 0.34497213 1\n C C9 1 1.05933841 0.10827886 1.00665406 1\n C C10 1 0.42649962 0.97581214 0.54070773 1\n C C11 1 0.34349547 0.22783565 0.19669212 1\n C C12 1 -0.00964354 1.04101088 0.27618063 1\n C C13 1 0.20608485 0.42112760 0.08120040 1\n C C14 1 0.29893790 0.81586585 0.81418797 1\n C C15 1 -0.19509812 0.36769503 0.34487941 1\n C C16 1 0.49234834 0.54318180 0.26821492 1\n C C17 1 0.41090350 -0.03918579 0.93228185 1\n C C18 1 0.74672346 0.29801213 0.93182600 1\n C C19 1 1.06950915 0.11469804 0.61524428 1\n C C20 1 0.92220575 0.47244364 0.54924360 1\n C C21 1 0.27510031 0.64749635 0.47141947 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28408000\n_cell_length_b 3.28390000\n_cell_length_c 4.30252000\n_cell_angle_alpha 89.99885000\n_cell_angle_beta 89.99823000\n_cell_angle_gamma 81.50396000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.89171540\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53638610 0.57405136 0.64869268 1\n C C1 1 0.39909120 0.71138721 0.32813901 1\n C C2 1 0.30578954 0.34272205 0.14863533 1\n C C3 1 0.89920881 0.21157997 0.64865997 1\n C C4 1 0.66785142 -0.02001155 0.14865736 1\n C C5 1 0.16807637 0.48020894 0.82813130 1\n C C6 1 1.03625669 0.07382735 0.32810643 1\n C C7 1 0.80603496 0.84292077 0.82814281 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48835000\n_cell_length_b 2.48747000\n_cell_length_c 6.57806000\n_cell_angle_alpha 79.03300000\n_cell_angle_beta 112.25540000\n_cell_angle_gamma 120.03913000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62157615\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59963456 0.10573840 0.24436557 1\n C C1 1 1.01622210 0.77234542 0.32759186 1\n C C2 1 0.26630122 0.77240507 0.57769890 1\n C C3 1 0.34955543 1.10567876 0.99425853 1\n C C4 1 0.93296789 0.43907174 0.91103224 1\n C C5 1 0.68288876 0.43901209 0.66092520 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55030000\n_cell_length_b 2.45986000\n_cell_length_c 6.29866000\n_cell_angle_alpha 101.07056000\n_cell_angle_beta 103.24784000\n_cell_angle_gamma 90.94754000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 37.67073912\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10077575 0.30437676 0.85759936 1\n C C1 1 0.92750252 0.62514451 0.49650197 1\n C C2 1 0.70023869 0.38512247 1.01752683 1\n C C3 1 0.76825887 0.95187010 0.14875421 1\n C C4 1 0.03273417 0.73837437 0.72650726 1\n C C5 1 -0.12628389 0.06560529 0.37877477 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42937000\n_cell_length_b 5.70596000\n_cell_length_c 6.41366000\n_cell_angle_alpha 83.79141000\n_cell_angle_beta 79.21036000\n_cell_angle_gamma 100.99255000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 84.77208388\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54915202 0.90653079 0.54324298 1\n C C1 1 0.77371332 0.90827881 0.09870214 1\n C C2 1 0.94075752 0.40884730 0.26523490 1\n C C3 1 0.27399301 0.40935138 0.59857361 1\n C C4 1 0.21640729 -0.09311500 0.20951344 1\n C C5 1 0.88207327 0.90647397 0.87667349 1\n C C6 1 0.71632032 0.40744646 0.70944072 1\n C C7 1 0.43990459 0.90832348 0.76528441 1\n C C8 1 0.38259151 0.40654127 0.37668760 1\n C C9 1 0.60760422 0.40967548 0.93141306 1\n C C10 1 0.10739030 0.90868023 0.43151207 1\n C C11 1 1.04909244 0.40694634 0.04323568 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.72806000\n_cell_length_b 3.72775000\n_cell_length_c 3.72671000\n_cell_angle_alpha 109.46063000\n_cell_angle_beta 70.52303000\n_cell_angle_gamma 70.50613000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.86005271\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43686302 0.05970467 0.45443577 1\n C C1 1 -0.06268693 0.80941116 0.20367292 1\n C C2 1 0.18726712 0.30959019 0.95386532 1\n C C3 1 0.18732415 0.80947072 0.45378751 1\n C C4 1 0.93662696 0.06002753 0.95448484 1\n C C5 1 0.43717269 0.30953353 0.20378444 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.14117000\n_cell_length_b 4.56073000\n_cell_length_c 4.70047000\n_cell_angle_alpha 92.27664000\n_cell_angle_beta 106.54507000\n_cell_angle_gamma 62.99298000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.19444396\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84322510 -0.10030888 0.46441570 1\n C C1 1 0.17507816 0.56608004 0.46523414 1\n C C2 1 0.34481617 0.89951874 -0.03596069 1\n C C3 1 0.59302372 0.39960371 0.71443419 1\n C C4 1 0.67667206 0.56585887 0.96502600 1\n C C5 1 -0.07518520 0.06591852 0.71544173 1\n C C6 1 0.09484690 0.39959307 0.21408573 1\n C C7 1 0.42669659 0.06602353 0.21484850 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37554000\n_cell_length_b 4.07906000\n_cell_length_c 3.79134000\n_cell_angle_alpha 108.57915000\n_cell_angle_beta 107.03174000\n_cell_angle_gamma 100.24964000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.14346022\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67899148 0.55520753 0.36467151 1\n C C1 1 0.79314189 0.20729259 0.14686460 1\n C C2 1 0.45601912 0.84413838 -0.09281709 1\n C C3 1 0.57012089 0.49619857 0.68929821 1\n C C4 1 0.11250272 0.20935672 0.54226779 1\n C C5 1 0.13626471 0.84183976 0.51142281 1\n C C6 1 0.94030520 0.36677922 0.87889954 1\n C C7 1 0.30797659 0.68416853 0.17448843 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30764000\n_cell_length_b 4.21832000\n_cell_length_c 5.24449000\n_cell_angle_alpha 113.88516000\n_cell_angle_beta 115.74334000\n_cell_angle_gamma 49.86809000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.55747387\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33864300 0.44639931 1.01966017 1\n C C1 1 -0.11683109 1.12400444 0.19326483 1\n C C2 1 0.17798484 -0.09672993 0.73501146 1\n C C3 1 0.04359568 0.34156013 0.47741992 1\n C C4 1 0.88321176 0.76040662 0.19294842 1\n C C5 1 0.33860446 0.81007787 1.01987044 1\n C C6 1 1.04263833 0.66744717 0.47737521 1\n C C7 1 0.17724862 0.22912529 0.73497705 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47746000\n_cell_length_b 4.84858000\n_cell_length_c 5.40066000\n_cell_angle_alpha 124.38662000\n_cell_angle_beta 117.11164000\n_cell_angle_gamma 59.76537000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.89867029\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40629563 0.16022119 0.38613099 1\n C C1 1 -0.26045291 0.49366510 0.05293051 1\n C C2 1 0.66215690 0.91644878 0.89791706 1\n C C3 1 0.11072448 0.12415963 1.05296705 1\n C C4 1 0.77736596 0.79077395 0.38625282 1\n C C5 1 1.03247603 0.54645788 0.89791989 1\n C C6 1 0.85431670 0.36809183 0.54127158 1\n C C7 1 0.48391132 0.73806384 0.54118931 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43137000\n_cell_length_b 4.20280000\n_cell_length_c 5.63987000\n_cell_angle_alpha 86.55377000\n_cell_angle_beta 95.95430000\n_cell_angle_gamma 89.81192000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.21415142\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10306506 0.40185645 0.86154326 1\n C C1 1 0.19208793 0.72332139 0.35543340 1\n C C2 1 0.69209594 0.22333231 0.35538834 1\n C C3 1 0.60354900 0.56905348 0.86128176 1\n C C4 1 0.19261837 0.39057286 0.35508635 1\n C C5 1 0.10361418 0.06906969 0.86128027 1\n C C6 1 0.69261317 0.89057037 0.35513126 1\n C C7 1 0.60313204 0.90183695 0.86155545 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26533000\n_cell_length_b 3.42619000\n_cell_length_c 4.54480000\n_cell_angle_alpha 71.35883000\n_cell_angle_beta 89.97969000\n_cell_angle_gamma 89.96647000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.17817005\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74383100 0.82886155 0.78652979 1\n C C1 1 0.11528298 0.77417967 -0.01675943 1\n C C2 1 0.46456085 0.46839471 0.95238733 1\n C C3 1 0.61531495 0.32888388 0.28673775 1\n C C4 1 -0.03554249 0.63544855 0.31725858 1\n C C5 1 0.24362248 0.27408832 0.48334151 1\n C C6 1 0.89675725 -0.03129920 0.45244850 1\n C C7 1 0.39649658 0.13515442 0.81725587 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48714000\n_cell_length_b 7.23199000\n_cell_length_c 5.85578000\n_cell_angle_alpha 102.77711000\n_cell_angle_beta 76.28023000\n_cell_angle_gamma 94.05799000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 99.77009310\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20586686 0.72997426 0.05809823 1\n C C1 1 0.56640982 0.02723592 0.18659565 1\n C C2 1 0.20753800 0.16235711 0.84626860 1\n C C3 1 1.10719799 0.13646893 0.13763763 1\n C C4 1 0.42714842 0.70225810 0.66734366 1\n C C5 1 0.27739702 0.94621869 0.41202775 1\n C C6 1 0.56837546 0.64115489 0.40008797 1\n C C7 1 0.78159709 0.45197143 0.82309167 1\n C C8 1 0.73244150 0.83976248 1.01417036 1\n C C9 1 0.29602987 0.56316091 0.83833262 1\n C C10 1 0.58896373 0.43037609 0.31335446 1\n C C11 1 0.74261141 0.26806406 0.82283195 1\n C C12 1 0.09083416 0.33711575 0.27209801 1\n C C13 1 0.14703196 -0.01057174 0.65259163 1\n C C14 1 -0.09115567 0.82212122 0.74909608 1\n C C15 1 0.13363078 0.73203671 0.31542524 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43316000\n_cell_length_b 7.58333000\n_cell_length_c 7.19626000\n_cell_angle_alpha 120.55868000\n_cell_angle_beta 84.75127000\n_cell_angle_gamma 65.87574000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 96.49034848\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72739424 0.19558332 0.00806236 1\n C C1 1 0.78398831 0.52271116 0.35901650 1\n C C2 1 0.37558272 0.89786556 0.46831237 1\n C C3 1 0.78352015 0.52575158 0.77030854 1\n C C4 1 0.42826536 0.04673240 -0.03447461 1\n C C5 1 0.56250460 0.31061668 -0.11200981 1\n C C6 1 -0.13287862 0.98587885 0.23281479 1\n C C7 1 -0.13687913 0.93005363 0.39346762 1\n C C8 1 0.45691906 0.77295691 0.57953182 1\n C C9 1 0.43879564 0.41573102 0.25356893 1\n C C10 1 0.87678222 0.80601231 0.71868006 1\n C C11 1 0.17512078 0.60910268 0.74773719 1\n C C12 1 0.38042299 1.00207461 0.14639070 1\n C C13 1 0.97831659 0.37919629 0.84759804 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45267000\n_cell_length_b 4.53659000\n_cell_length_c 5.89732000\n_cell_angle_alpha 52.31837000\n_cell_angle_beta 77.81632000\n_cell_angle_gamma 105.32451000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.71206767\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84952881 0.78370722 0.72817087 1\n C C1 1 0.40200945 1.07579303 0.90860886 1\n C C2 1 0.50982835 0.91425707 0.53807667 1\n C C3 1 0.78603270 0.15203504 0.22156994 1\n C C4 1 -0.11286881 -0.01210107 0.85299576 1\n C C5 1 0.44589941 0.28222971 0.03154459 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48779000\n_cell_length_b 2.48824000\n_cell_length_c 6.57715000\n_cell_angle_alpha 79.11043000\n_cell_angle_beta 100.90885000\n_cell_angle_gamma 59.97397000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.63023984\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08158281 0.63028764 0.27916900 1\n C C1 1 0.33201891 1.04645697 0.19629896 1\n C C2 1 0.33174065 0.38044377 0.52910220 1\n C C3 1 0.33180701 0.71358365 0.86255352 1\n C C4 1 0.08201517 0.29662080 0.94616236 1\n C C5 1 1.08158436 -0.03606213 0.61228436 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48130000\n_cell_length_b 4.83930000\n_cell_length_c 3.68957000\n_cell_angle_alpha 68.52724000\n_cell_angle_beta 70.32647000\n_cell_angle_gamma 104.81530000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00398071\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57275000 0.78270189 0.14032814 1\n C C1 1 0.86378957 0.65193836 0.42785943 1\n C C2 1 0.61249353 0.27836076 0.55684425 1\n C C3 1 0.90353310 0.14759722 0.84437554 1\n C C4 1 0.58916586 0.57602588 0.90121463 1\n C C5 1 0.88711724 0.35427324 0.08348905 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47829000\n_cell_length_b 4.19032000\n_cell_length_c 8.34244000\n_cell_angle_alpha 90.28103000\n_cell_angle_beta 107.30461000\n_cell_angle_gamma 90.00020000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.71235128\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57121031 1.01349413 0.25802926 1\n C C1 1 0.34207697 0.85600498 0.52767886 1\n C C2 1 0.61969820 0.35423373 0.30562020 1\n C C3 1 0.07820085 0.16580335 0.76261768 1\n C C4 1 0.39239074 0.87572011 1.07915943 1\n C C5 1 0.89509147 0.03496879 0.58125911 1\n C C6 1 0.57510785 0.38456944 0.75979457 1\n C C7 1 0.14528222 0.85506450 0.33229172 1\n C C8 1 0.81046735 0.35658406 0.49806864 1\n C C9 1 0.38595877 0.50923595 0.57329161 1\n C C10 1 0.19961572 0.88540917 0.88007701 1\n C C11 1 1.06174924 0.52288344 0.24835860 1\n C C12 1 0.88886339 0.66615813 0.07561239 1\n C C13 1 0.69733942 0.66638044 0.87785570 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42798000\n_cell_length_b 6.32463000\n_cell_length_c 4.87995000\n_cell_angle_alpha 41.90708000\n_cell_angle_beta 60.09215000\n_cell_angle_gamma 67.34634000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.37381692\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37979583 0.70395417 0.80994256 1\n C C1 1 0.44563359 0.27103101 0.67572926 1\n C C2 1 0.02908022 0.76438478 0.09907885 1\n C C3 1 0.38513070 0.62060332 0.38656978 1\n C C4 1 0.03640444 0.68118135 0.67551176 1\n C C5 1 0.96752813 0.11396418 0.81004268 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51399000\n_cell_length_b 4.81130000\n_cell_length_c 4.18655000\n_cell_angle_alpha 125.11557000\n_cell_angle_beta 72.58128000\n_cell_angle_gamma 121.33062000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.38196879\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34551404 0.77771376 0.57220036 1\n C C1 1 0.71360506 0.14631094 0.57219133 1\n C C2 1 0.86354381 0.49092029 0.96053977 1\n C C3 1 0.34627034 0.16580763 0.34852655 1\n C C4 1 0.19610065 0.82145778 -0.03954110 1\n C C5 1 0.71317520 0.53439579 0.34848999 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32642000\n_cell_length_b 3.36944000\n_cell_length_c 6.49887000\n_cell_angle_alpha 61.01153000\n_cell_angle_beta 80.93013000\n_cell_angle_gamma 68.14955000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.11424427\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67073805 0.90283507 0.80134286 1\n C C1 1 0.67221131 0.44193062 0.26365338 1\n C C2 1 0.35957261 0.60649714 0.41291254 1\n C C3 1 0.04567886 1.06886083 0.26368761 1\n C C4 1 0.35703499 0.36517628 0.65228997 1\n C C5 1 0.54050739 0.80393320 0.03274611 1\n C C6 1 1.04429289 0.52988410 0.80143458 1\n C C7 1 0.17623189 0.16784717 0.03245824 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46951000\n_cell_length_b 3.23596000\n_cell_length_c 5.18000000\n_cell_angle_alpha 92.03094000\n_cell_angle_beta 90.01302000\n_cell_angle_gamma 112.49183000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.21759824\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14697133 0.93147550 1.03574697 1\n C C1 1 0.83779705 0.30868679 0.40986105 1\n C C2 1 0.16415019 -0.03816736 0.78022398 1\n C C3 1 0.66480199 0.96277428 0.62728921 1\n C C4 1 0.64696283 0.93123604 0.18863405 1\n C C5 1 0.47582490 0.58569405 0.40801034 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42978000\n_cell_length_b 5.68691000\n_cell_length_c 8.03174000\n_cell_angle_alpha 52.47154000\n_cell_angle_beta 93.94913000\n_cell_angle_gamma 83.38322000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.05519963\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85943069 0.54596918 0.09589831 1\n C C1 1 -0.03017955 0.32203331 0.31780484 1\n C C2 1 0.12548513 0.36849544 0.76954356 1\n C C3 1 0.52649637 0.20991284 0.42891529 1\n C C4 1 0.79167997 0.03816290 0.10340422 1\n C C5 1 0.30309440 0.65740286 -0.01517104 1\n C C6 1 0.63715958 0.98763903 0.65101988 1\n C C7 1 0.01499236 0.59033197 0.54733062 1\n C C8 1 0.34788656 -0.07354792 0.21445235 1\n C C9 1 0.68105315 0.25957194 0.88116959 1\n C C10 1 0.45878642 0.70214755 0.43634357 1\n C C11 1 1.19313491 0.87849969 0.76257500 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43177000\n_cell_length_b 4.65327000\n_cell_length_c 3.99167000\n_cell_angle_alpha 84.27592000\n_cell_angle_beta 89.55365000\n_cell_angle_gamma 105.76977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.22292233\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11534504 0.77725030 0.84815118 1\n C C1 1 0.78273862 0.11192704 0.17960535 1\n C C2 1 0.44848948 0.44373917 0.51528893 1\n C C3 1 0.66968242 0.88781212 0.96106808 1\n C C4 1 1.00312199 0.55483381 0.62707739 1\n C C5 1 0.33731574 0.22284196 0.29174948 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51973000\n_cell_length_b 4.72209000\n_cell_length_c 6.37742000\n_cell_angle_alpha 70.95665000\n_cell_angle_beta 97.84838000\n_cell_angle_gamma 92.37277000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.05593373\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87145933 0.25959661 0.03849240 1\n C C1 1 0.41899642 0.79717025 0.14986656 1\n C C2 1 0.46977667 0.47824630 0.30270974 1\n C C3 1 0.88698815 0.93119870 0.02171572 1\n C C4 1 1.00759219 0.80765653 0.45960634 1\n C C5 1 -0.02876723 -0.02316122 0.78721104 1\n C C6 1 1.02413767 0.47850754 0.44401603 1\n C C7 1 -0.07813512 0.76162501 0.69506366 1\n C C8 1 0.42522517 0.26028071 0.17869674 1\n C C9 1 0.47575478 0.94106640 0.33116958 1\n C C10 1 0.75543529 0.43541295 0.79117132 1\n C C11 1 0.14025966 0.30287511 0.69173817 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68791000\n_cell_length_b 4.89475000\n_cell_length_c 4.96144000\n_cell_angle_alpha 120.45558000\n_cell_angle_beta 109.63982000\n_cell_angle_gamma 92.90754000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.96417935\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92873751 0.83541943 0.73922526 1\n C C1 1 0.44403035 0.40654428 0.15329324 1\n C C2 1 0.08607249 0.70455285 0.46340780 1\n C C3 1 0.99831550 0.20027184 -0.06079814 1\n C C4 1 0.44399633 0.40656113 0.65335934 1\n C C5 1 0.48332149 0.62888617 1.02450938 1\n C C6 1 0.08608092 0.70480276 -0.03640574 1\n C C7 1 0.48342066 0.62876894 0.52443038 1\n C C8 1 -0.07143884 0.83545685 0.23929585 1\n C C9 1 0.84209896 0.33126183 0.21593483 1\n C C10 1 0.84213162 0.33142062 -0.28391090 1\n C C11 1 -0.00180770 0.20030990 0.43928130 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45505000\n_cell_length_b 4.41026000\n_cell_length_c 10.67330000\n_cell_angle_alpha 92.54738000\n_cell_angle_beta 90.68876000\n_cell_angle_gamma 97.14553000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 114.53537549\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13092584 0.91887516 0.13841375 1\n C C1 1 0.67462484 0.07633419 0.08979881 1\n C C2 1 -0.19093800 0.38009537 0.15667678 1\n C C3 1 0.46422578 0.64040054 -0.02393797 1\n C C4 1 0.78718459 0.06045158 0.72413650 1\n C C5 1 0.28266069 0.19226670 0.52612563 1\n C C6 1 0.64906876 0.91285525 0.34417421 1\n C C7 1 0.29325573 0.21049926 0.66849903 1\n C C8 1 0.17745941 0.01876017 0.27534980 1\n C C9 1 0.81046696 0.69594488 0.54428513 1\n C C10 1 0.31140804 0.52261546 0.48768363 1\n C C11 1 0.81457958 0.71461982 0.69086847 1\n C C12 1 -0.24202614 1.01212492 0.48353166 1\n C C13 1 0.96415235 0.61772884 0.06518462 1\n C C14 1 0.63286947 0.98106645 0.95656317 1\n C C15 1 0.31054265 0.53683002 0.73163393 1\n C C16 1 0.30235159 0.36667674 0.24541934 1\n C C17 1 0.33596618 0.41464653 0.86420663 1\n C C18 1 0.78042941 0.19691727 0.85909806 1\n C C19 1 0.41981047 0.57745514 0.35340851 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48202000\n_cell_length_b 3.73909000\n_cell_length_c 3.84484000\n_cell_angle_alpha 90.07402000\n_cell_angle_beta 89.97708000\n_cell_angle_gamma 89.96167000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.68198223\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90774881 0.99182795 0.95024266 1\n C C1 1 -0.09169819 0.72564648 0.24482369 1\n C C2 1 0.40878915 0.48759040 0.65508163 1\n C C3 1 0.40877034 0.48814477 0.24457523 1\n C C4 1 0.40729662 0.22099196 -0.05022232 1\n C C5 1 0.90831957 0.72503114 0.65563771 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48679000\n_cell_length_b 4.30175000\n_cell_length_c 4.30190000\n_cell_angle_alpha 131.75138000\n_cell_angle_beta 106.69568000\n_cell_angle_gamma 73.29219000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.58607202\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46506746 0.82029773 0.49158134 1\n C C1 1 0.29814112 0.73689825 1.07485329 1\n C C2 1 -0.03502419 0.07021693 0.74153189 1\n C C3 1 1.13142214 1.15361417 0.15817619 1\n C C4 1 0.63133048 0.40353338 0.40812673 1\n C C5 1 0.79825682 0.48693285 0.82485479 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60962000\n_cell_length_b 4.62565000\n_cell_length_c 3.67768000\n_cell_angle_alpha 113.41648000\n_cell_angle_beta 89.90145000\n_cell_angle_gamma 75.49133000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.18141522\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25175404 0.56350771 0.32100325 1\n C C1 1 0.07840877 0.88653014 0.35791759 1\n C C2 1 0.25165563 0.56338591 0.69585454 1\n C C3 1 0.36882572 0.33104465 0.89281198 1\n C C4 1 0.07875780 -0.11384887 0.98263623 1\n C C5 1 0.96155514 0.11865896 0.78711061 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31902000\n_cell_length_b 3.31912000\n_cell_length_c 4.88603000\n_cell_angle_alpha 107.29761000\n_cell_angle_beta 107.29954000\n_cell_angle_gamma 97.20347000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.69772535\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39267721 0.89201043 0.69496675 1\n C C1 1 0.74466429 0.24398456 0.69434284 1\n C C2 1 0.56817530 0.06727726 0.04642063 1\n C C3 1 0.91966939 0.41890611 0.04570820 1\n C C4 1 0.27867338 0.23107938 0.21199151 1\n C C5 1 0.58029809 0.53305465 0.52853331 1\n C C6 1 -0.06267328 -0.10925221 0.52866570 1\n C C7 1 0.92090033 0.87417582 0.21187137 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43292000\n_cell_length_b 4.11191000\n_cell_length_c 4.49340000\n_cell_angle_alpha 96.31511000\n_cell_angle_beta 102.88504000\n_cell_angle_gamma 87.02145000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.53646982\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34523338 0.78015111 1.01692043 1\n C C1 1 0.23331424 1.00254593 0.79543855 1\n C C2 1 -0.10053118 0.66795320 1.12765623 1\n C C3 1 0.67904615 0.11519520 0.68472096 1\n C C4 1 0.01142523 0.44492379 0.34869154 1\n C C5 1 0.56567358 0.33241747 0.45950280 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.71780000\n_cell_length_b 4.80245000\n_cell_length_c 4.46479000\n_cell_angle_alpha 73.61664000\n_cell_angle_beta 77.79363000\n_cell_angle_gamma 70.10260000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.32320292\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54225026 -0.05371229 0.72436295 1\n C C1 1 1.09846413 0.47338604 0.75447667 1\n C C2 1 0.52048739 0.45799669 0.72157403 1\n C C3 1 0.76460028 0.17564755 0.61163313 1\n C C4 1 0.81936074 0.74956149 0.22406377 1\n C C5 1 0.04184265 0.97849108 0.11130399 1\n C C6 1 0.84337349 0.24411765 0.25866719 1\n C C7 1 0.74339621 0.68044851 0.57705813 1\n C C8 1 0.10856514 0.13288943 0.76063530 1\n C C9 1 0.48689882 0.45150114 0.08147719 1\n C C10 1 0.47576392 0.79209754 0.07502677 1\n C C11 1 0.06603147 0.46690708 1.11405638 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.95940000\n_cell_length_b 4.05722000\n_cell_length_c 6.72051000\n_cell_angle_alpha 117.38922000\n_cell_angle_beta 74.68392000\n_cell_angle_gamma 111.96501000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.34178260\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19613842 0.42695398 -0.05720375 1\n C C1 1 0.89469436 0.45064122 0.10616202 1\n C C2 1 0.31023981 0.54447436 0.44371282 1\n C C3 1 0.58075916 0.18273311 0.63053720 1\n C C4 1 -0.06346122 0.83400802 0.27663291 1\n C C5 1 0.26211317 0.16349923 0.27918890 1\n C C6 1 0.52213225 0.74005268 0.93891990 1\n C C7 1 0.63454946 0.85858210 0.43979175 1\n C C8 1 0.07984956 0.71846073 0.64446667 1\n C C9 1 0.57129999 0.12131027 0.10366473 1\n C C10 1 0.75144345 0.56630973 0.73840934 1\n C C11 1 0.24854449 0.10248116 0.75224991 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48142000\n_cell_length_b 4.21821000\n_cell_length_c 3.68910000\n_cell_angle_alpha 104.76211000\n_cell_angle_beta 70.37339000\n_cell_angle_gamma 90.02356000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01627845\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84397481 0.40076518 0.57306378 1\n C C1 1 0.52582832 0.69788124 0.21295449 1\n C C2 1 0.10386842 0.82915665 0.05669430 1\n C C3 1 0.64376892 0.32516191 0.97087398 1\n C C4 1 1.06520970 0.19442726 0.12822401 1\n C C5 1 0.32364103 0.62293627 0.61143124 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45296000\n_cell_length_b 6.57240000\n_cell_length_c 7.00769000\n_cell_angle_alpha 87.67176000\n_cell_angle_beta 90.11364000\n_cell_angle_gamma 79.22316000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 110.88733563\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39753228 1.07291870 0.57312411 1\n C C1 1 0.82993055 0.20848604 0.54750218 1\n C C2 1 0.08436192 0.70474793 0.22095740 1\n C C3 1 0.70272882 0.47710114 0.01403805 1\n C C4 1 0.77811188 0.32334088 0.73873185 1\n C C5 1 0.30215256 0.26879925 0.24267859 1\n C C6 1 0.47848755 0.90998031 0.43806018 1\n C C7 1 0.66622935 0.55001059 0.79779180 1\n C C8 1 1.01820906 0.83783644 0.37266807 1\n C C9 1 0.62130138 0.63685501 0.15227063 1\n C C10 1 0.00265426 0.87842613 0.81358580 1\n C C11 1 0.44013285 0.00250974 0.78995329 1\n C C12 1 0.32478909 0.23000287 0.84562985 1\n C C13 1 1.10459748 0.67437206 0.77691744 1\n C C14 1 0.79658450 0.27338681 0.34094326 1\n C C15 1 0.27157147 0.33987701 1.03754708 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31174000\n_cell_length_b 4.83802000\n_cell_length_c 5.09618000\n_cell_angle_alpha 84.99724000\n_cell_angle_beta 65.62048000\n_cell_angle_gamma 96.65489000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.04284123\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31664961 0.73671911 0.77881226 1\n C C1 1 0.82914957 0.25708854 0.77424470 1\n C C2 1 0.31760275 0.25759405 0.28277286 1\n C C3 1 0.16563761 0.49643497 0.68239414 1\n C C4 1 0.46682670 0.49864747 0.37891442 1\n C C5 1 0.18311901 0.86302863 1.03023290 1\n C C6 1 0.69868685 0.87306489 0.53304363 1\n C C7 1 0.80433100 0.73788601 0.28735592 1\n C C8 1 0.44921631 0.13281717 1.02978462 1\n C C9 1 -0.06230669 0.11982547 0.52985515 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41133000\n_cell_length_b 3.58618000\n_cell_length_c 9.12071000\n_cell_angle_alpha 108.16272000\n_cell_angle_beta 89.73714000\n_cell_angle_gamma 110.08327000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.91905481\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20141295 0.78505379 0.68721622 1\n C C1 1 0.77736184 0.93279308 0.09450868 1\n C C2 1 0.97326102 0.33976944 0.58910094 1\n C C3 1 0.28634132 0.95447712 0.17186579 1\n C C4 1 0.25392655 -0.11977617 0.85445094 1\n C C5 1 0.18889299 0.76915427 0.43019572 1\n C C6 1 0.76214499 -0.10149265 0.93292005 1\n C C7 1 0.33652833 0.06552546 0.34174273 1\n C C8 1 0.33897390 0.06544056 0.59267642 1\n C C9 1 0.96782991 0.33133469 0.41553311 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47502000\n_cell_length_b 4.92726000\n_cell_length_c 5.94498000\n_cell_angle_alpha 101.83419000\n_cell_angle_beta 102.03253000\n_cell_angle_gamma 120.18817000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.02340238\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.22540754 -0.06940211 0.61576549 1\n C C1 1 0.71734068 0.57356579 0.21861950 1\n C C2 1 0.30442034 0.19578136 0.14749554 1\n C C3 1 0.04419064 0.23680067 0.54414823 1\n C C4 1 0.90594583 0.92912215 0.88165680 1\n C C5 1 1.00572773 0.71804118 0.50398233 1\n C C6 1 -0.20117792 0.45106849 0.62463063 1\n C C7 1 0.19075142 0.71350125 0.88143702 1\n C C8 1 0.75963471 0.09509959 0.25905542 1\n C C9 1 0.31056701 0.70715472 0.13790452 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48716000\n_cell_length_b 4.49817000\n_cell_length_c 7.71375000\n_cell_angle_alpha 70.44142000\n_cell_angle_beta 99.26744000\n_cell_angle_gamma 106.04924000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 77.92609641\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61145213 0.19946672 0.55788965 1\n C C1 1 0.43531147 0.44525668 0.96080940 1\n C C2 1 0.87446012 0.76224315 0.52148424 1\n C C3 1 0.74008179 0.90868400 0.11139331 1\n C C4 1 1.04849408 0.38193183 0.25223277 1\n C C5 1 0.29942769 0.35278694 0.78356472 1\n C C6 1 0.21942443 0.75749233 0.22109354 1\n C C7 1 0.52621114 0.23085568 0.35646737 1\n C C8 1 -0.21705217 0.44100126 0.66051059 1\n C C9 1 0.35744153 0.85040937 0.39848126 1\n C C10 1 0.91328359 0.29355970 1.07039574 1\n C C11 1 1.04601571 0.00312018 0.62466526 1\n C C12 1 0.60753966 0.82049548 0.93022324 1\n C C13 1 0.13062202 -0.02803794 0.82608450 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43186000\n_cell_length_b 3.20326000\n_cell_length_c 8.11152000\n_cell_angle_alpha 89.58748000\n_cell_angle_beta 81.18915000\n_cell_angle_gamma 68.42362000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.98363991\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59629233 0.75796521 0.32215996 1\n C C1 1 -0.06749462 0.42002046 0.98895614 1\n C C2 1 1.09642562 0.25765066 0.82226517 1\n C C3 1 0.43146251 0.92219736 0.48871285 1\n C C4 1 0.68165412 1.17169159 0.73881050 1\n C C5 1 0.34713256 0.50641547 0.07234658 1\n C C6 1 0.84574656 0.00920950 0.57206872 1\n C C7 1 0.18218923 0.67052345 0.23886697 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47408000\n_cell_length_b 5.46105000\n_cell_length_c 4.90670000\n_cell_angle_alpha 90.01317000\n_cell_angle_beta 120.29567000\n_cell_angle_gamma 89.99990000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.24115197\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31625301 0.86412326 0.44344306 1\n C C1 1 0.65599976 0.94780512 0.78311449 1\n C C2 1 0.65642526 0.25444420 0.78357530 1\n C C3 1 0.65941870 0.23604105 0.28666721 1\n C C4 1 -0.34099143 0.96867956 0.28629758 1\n C C5 1 0.46017900 0.60213064 0.08674775 1\n C C6 1 1.32810886 0.86190971 0.95511829 1\n C C7 1 0.32830818 0.34187993 0.95534847 1\n C C8 1 0.31698381 0.34027361 0.44415174 1\n C C9 1 0.18145074 0.60228112 0.30805051 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.17534000\n_cell_length_b 4.83259000\n_cell_length_c 3.61438000\n_cell_angle_alpha 68.05140000\n_cell_angle_beta 76.97836000\n_cell_angle_gamma 62.47615000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.52734430\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50135834 0.30515953 0.43587030 1\n C C1 1 0.50183092 0.30396968 0.81757660 1\n C C2 1 0.51403654 -0.00936106 0.47157601 1\n C C3 1 0.51130434 0.80169102 0.87481434 1\n C C4 1 0.51366273 -0.00783726 0.08948301 1\n C C5 1 0.50364453 0.49441459 0.03258483 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46793000\n_cell_length_b 6.71207000\n_cell_length_c 7.96850000\n_cell_angle_alpha 72.54114000\n_cell_angle_beta 86.08995000\n_cell_angle_gamma 87.83492000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 125.60287715\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40843711 0.54039268 0.49450765 1\n C C1 1 0.37303760 0.26796204 0.84235431 1\n C C2 1 0.42509123 0.40880643 0.08752911 1\n C C3 1 -0.13193767 0.92799010 0.89857470 1\n C C4 1 1.04533903 0.00430340 0.36166693 1\n C C5 1 0.91889654 0.55347760 0.04427366 1\n C C6 1 0.48845822 0.92719913 0.48502510 1\n C C7 1 -0.10945406 0.66261390 0.19263710 1\n C C8 1 0.39712421 0.57230268 0.29988036 1\n C C9 1 0.81820871 0.89695296 0.10605767 1\n C C10 1 -0.10540442 0.71388744 0.87762236 1\n C C11 1 0.35803512 0.22355742 1.03511714 1\n C C12 1 0.26701378 1.00443001 0.15784278 1\n C C13 1 0.42048642 0.70424307 0.59530001 1\n C C14 1 0.43310721 1.08097355 0.61072552 1\n C C15 1 0.90787956 0.41276628 0.56904731 1\n C C16 1 0.38347327 0.04717313 0.81023522 1\n C C17 1 0.95322222 0.23216429 0.35374025 1\n C C18 1 0.43981270 0.35040110 0.27993344 1\n C C19 1 0.88123866 0.39629148 0.75929029 1\n C C20 1 0.89462101 0.64289288 0.71892094 1\n C C21 1 0.93144856 0.20693876 0.54267745 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53244000\n_cell_length_b 3.76534000\n_cell_length_c 6.28847000\n_cell_angle_alpha 126.64758000\n_cell_angle_beta 90.51065000\n_cell_angle_gamma 89.76377000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.10822864\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63613226 0.13574685 0.68602083 1\n C C1 1 0.64293445 0.86784250 0.22392046 1\n C C2 1 0.14198644 0.21315808 1.06453842 1\n C C3 1 0.64017483 0.62959867 0.50123583 1\n C C4 1 0.64385627 0.47916697 0.22415874 1\n C C5 1 0.63867700 0.27241870 0.50059761 1\n C C6 1 0.14070366 0.81437237 1.06402893 1\n C C7 1 0.13895739 0.30572794 0.85564679 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20838000\n_cell_length_b 3.95644000\n_cell_length_c 4.76457000\n_cell_angle_alpha 85.40325000\n_cell_angle_beta 128.22638000\n_cell_angle_gamma 108.75771000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.25235073\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04857872 0.70000319 0.34903572 1\n C C1 1 0.88258606 0.19866304 0.85028996 1\n C C2 1 0.79847564 -0.05006219 0.59904905 1\n C C3 1 0.13251546 -0.05139434 0.60026717 1\n C C4 1 0.38261671 0.69864461 0.35022471 1\n C C5 1 0.29857409 0.45001614 1.09895642 1\n C C6 1 0.54845394 0.19996655 0.84895405 1\n C C7 1 0.63268108 0.44869870 0.10024342 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43768000\n_cell_length_b 4.23789000\n_cell_length_c 8.14593000\n_cell_angle_alpha 127.16340000\n_cell_angle_beta 98.64663000\n_cell_angle_gamma 89.90405000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.87449917\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91029202 0.42446651 0.47227225 1\n C C1 1 1.25126913 0.53549113 1.15016365 1\n C C2 1 0.75979233 0.70689259 0.16189001 1\n C C3 1 0.56906501 0.70127317 0.79756551 1\n C C4 1 0.78802878 1.11884391 0.22628873 1\n C C5 1 0.23973907 0.16399562 0.13186704 1\n C C6 1 0.45774309 0.37909398 0.56655383 1\n C C7 1 0.12259488 -0.15789104 0.90079890 1\n C C8 1 0.45346235 0.00801108 0.54867703 1\n C C9 1 0.94559495 0.83702976 0.53734794 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42631000\n_cell_length_b 4.17526000\n_cell_length_c 8.50673000\n_cell_angle_alpha 86.99663000\n_cell_angle_beta 124.61030000\n_cell_angle_gamma 89.83858000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.77372252\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67539306 0.76057012 0.95782342 1\n C C1 1 0.71431542 0.40290768 0.47789339 1\n C C2 1 0.77432024 0.77036703 0.25790874 1\n C C3 1 0.32853064 0.25745850 0.53488936 1\n C C4 1 0.60848483 -0.00580743 0.67354324 1\n C C5 1 0.36509849 0.89681719 0.05328441 1\n C C6 1 0.26739257 0.88539828 0.75297754 1\n C C7 1 0.29181704 0.24991779 0.01686938 1\n C C8 1 0.43413919 0.66377437 0.33790209 1\n C C9 1 0.74742702 0.40774657 0.99432592 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49822000\n_cell_length_b 5.14250000\n_cell_length_c 10.60600000\n_cell_angle_alpha 80.38817000\n_cell_angle_beta 93.65338000\n_cell_angle_gamma 59.83695000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 114.39846729\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06850404 0.86051659 0.34538648 1\n C C1 1 1.19513605 1.04175552 0.13512521 1\n C C2 1 0.39486726 0.30088018 0.95678133 1\n C C3 1 0.02445967 0.71586753 0.75636307 1\n C C4 1 0.36014109 0.94748407 0.41391387 1\n C C5 1 0.82638209 0.17191266 0.76465515 1\n C C6 1 -0.00758442 0.37727114 0.55201230 1\n C C7 1 0.35794512 0.84005445 0.04397540 1\n C C8 1 0.38872271 0.43041532 0.82076101 1\n C C9 1 0.71989918 -0.05617609 0.96246833 1\n C C10 1 0.59473349 0.74902047 0.55170631 1\n C C11 1 0.69531715 0.53071794 0.12307688 1\n C C12 1 0.30206754 0.49203853 0.34225427 1\n C C13 1 0.00977500 0.84497568 0.61779679 1\n C C14 1 0.69043848 1.21009811 0.61835313 1\n C C15 1 -0.12148702 0.33039962 0.03266243 1\n C C16 1 0.98975615 0.32916523 0.41239553 1\n C C17 1 0.69203662 0.06535507 0.21179922 1\n C C18 1 0.32175288 0.42994695 0.20626121 1\n C C19 1 0.60113900 -0.03389016 0.81731068 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48378000\n_cell_length_b 3.82449000\n_cell_length_c 6.93053000\n_cell_angle_alpha 123.48920000\n_cell_angle_beta 100.24602000\n_cell_angle_gamma 108.97441000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.28843733\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87327015 0.89817564 0.21579138 1\n C C1 1 0.15543879 0.56911389 0.10945693 1\n C C2 1 0.91442162 0.36425231 0.83014995 1\n C C3 1 0.20302806 0.10517609 0.66514544 1\n C C4 1 0.17376983 0.82571764 0.88811284 1\n C C5 1 -0.06739181 0.62080564 0.60880657 1\n C C6 1 0.88494802 0.08468659 0.05310209 1\n C C7 1 0.21464245 0.29170698 0.50248919 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47295000\n_cell_length_b 3.23836000\n_cell_length_c 6.00570000\n_cell_angle_alpha 59.34553000\n_cell_angle_beta 78.05282000\n_cell_angle_gamma 67.46719000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.21188203\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71164875 0.59608012 0.89218999 1\n C C1 1 0.38623781 0.87674752 0.26321807 1\n C C2 1 0.69962790 0.87976992 0.63651965 1\n C C3 1 1.02562085 0.59732460 0.26533259 1\n C C4 1 0.21196003 0.44160183 1.04543582 1\n C C5 1 0.19984366 0.03299710 0.48341967 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51661000\n_cell_length_b 3.51759000\n_cell_length_c 3.31776000\n_cell_angle_alpha 89.99868000\n_cell_angle_beta 90.00206000\n_cell_angle_gamma 119.99996000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54227297\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60612216 0.31609935 0.34275243 1\n C C1 1 0.14257218 0.08450695 0.51001898 1\n C C2 1 0.14231649 0.38907434 0.84277987 1\n C C3 1 0.60601794 0.62111902 1.00990484 1\n C C4 1 -0.16176643 0.08476223 0.17524751 1\n C C5 1 0.91070906 0.62093741 0.67531568 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48285000\n_cell_length_b 3.74782000\n_cell_length_c 3.84070000\n_cell_angle_alpha 89.98239000\n_cell_angle_beta 89.99775000\n_cell_angle_gamma 90.00998000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.73876700\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82256793 0.52381831 0.05187601 1\n C C1 1 0.32242959 0.28788679 0.05202424 1\n C C2 1 0.82282497 0.79143808 0.34630088 1\n C C3 1 0.82251000 0.52367283 0.64086373 1\n C C4 1 0.32240213 0.28766942 0.64100959 1\n C C5 1 0.32281838 1.02007496 0.34641945 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46190000\n_cell_length_b 4.23617000\n_cell_length_c 8.90347000\n_cell_angle_alpha 79.63882000\n_cell_angle_beta 90.00562000\n_cell_angle_gamma 90.01036000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 91.34039924\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92935460 0.62023745 0.75159052 1\n C C1 1 -0.07969189 0.09536752 0.54468615 1\n C C2 1 0.91843443 0.82895670 0.44947814 1\n C C3 1 0.41852710 0.61003739 0.25942051 1\n C C4 1 0.41826602 0.24632888 0.30287348 1\n C C5 1 0.91816083 1.05569093 0.29071771 1\n C C6 1 0.92641288 0.97998109 0.71859200 1\n C C7 1 0.41837791 0.63880373 0.43461588 1\n C C8 1 0.42940528 0.46051743 0.76394974 1\n C C9 1 -0.08099960 0.78929953 0.19538132 1\n C C10 1 -0.07795561 -0.08902450 0.03060729 1\n C C11 1 0.41948453 0.27511604 0.47895156 1\n C C12 1 0.42652806 0.10208437 0.78956328 1\n C C13 1 0.42279506 0.97388524 0.95718862 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45999000\n_cell_length_b 3.40414000\n_cell_length_c 5.31872000\n_cell_angle_alpha 96.22840000\n_cell_angle_beta 90.01221000\n_cell_angle_gamma 111.30440000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.21334083\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79516587 0.36414617 0.90665184 1\n C C1 1 0.42484382 0.62370183 0.30982930 1\n C C2 1 0.65263949 0.08182184 0.37739896 1\n C C3 1 0.25211271 0.27879698 0.50370782 1\n C C4 1 0.82550616 0.42656420 0.18246128 1\n C C5 1 0.28474745 0.34247738 0.77973079 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45866000\n_cell_length_b 4.56498000\n_cell_length_c 6.96801000\n_cell_angle_alpha 82.16228000\n_cell_angle_beta 74.04618000\n_cell_angle_gamma 108.37590000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.19622956\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78661793 0.77456727 0.78611587 1\n C C1 1 0.01332558 0.14955884 0.73695968 1\n C C2 1 -0.45695818 0.75156880 0.45929701 1\n C C3 1 0.58320809 0.53474133 0.31420907 1\n C C4 1 0.88495281 0.65904998 0.59323744 1\n C C5 1 0.71669970 0.04862089 0.31405981 1\n C C6 1 0.91538168 0.26649333 0.93359398 1\n C C7 1 -0.10783374 0.33216107 0.37965727 1\n C C8 1 0.10637637 0.62924050 0.91304078 1\n C C9 1 0.66433493 -0.00848397 0.11252599 1\n C C10 1 0.68755219 0.29575661 0.61688919 1\n C C11 1 0.99885864 0.76211434 0.10552501 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51418000\n_cell_length_b 4.58824000\n_cell_length_c 6.66484000\n_cell_angle_alpha 69.90309000\n_cell_angle_beta 75.00102000\n_cell_angle_gamma 75.39403000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.60363162\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41679535 0.31323103 0.95604283 1\n C C1 1 1.30559719 0.00322749 0.08526369 1\n C C2 1 0.45917891 0.77367900 0.00377295 1\n C C3 1 0.63638710 0.46239486 0.48001923 1\n C C4 1 0.12807832 0.31409663 0.61022010 1\n C C5 1 -0.05359811 0.41891369 0.81572204 1\n C C6 1 0.34863627 0.46372165 0.13401187 1\n C C7 1 0.81898613 0.35764077 0.27416062 1\n C C8 1 0.48611109 0.84114814 0.43688012 1\n C C9 1 0.00719825 -0.00584236 0.31283223 1\n C C10 1 0.75848706 0.78186898 0.77615434 1\n C C11 1 0.27909544 0.93592362 0.65202418 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45068000\n_cell_length_b 4.62614000\n_cell_length_c 4.54054000\n_cell_angle_alpha 94.10602000\n_cell_angle_beta 74.36659000\n_cell_angle_gamma 122.01314000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.87358440\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19476622 0.78420273 0.63398164 1\n C C1 1 0.83463824 0.10643706 0.99703795 1\n C C2 1 0.33811430 0.17603847 0.13011290 1\n C C3 1 -0.14631307 -0.02818477 0.69055363 1\n C C4 1 0.97685613 0.49742629 0.49366324 1\n C C5 1 0.31867378 0.31016193 0.43662103 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52209000\n_cell_length_b 7.16695000\n_cell_length_c 6.53317000\n_cell_angle_alpha 85.61593000\n_cell_angle_beta 82.60493000\n_cell_angle_gamma 61.60533000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.00451488\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18762362 0.80081909 0.46399629 1\n C C1 1 0.62029237 0.89955251 0.35843338 1\n C C2 1 0.83992203 0.20280705 0.82010349 1\n C C3 1 0.92424643 0.47014292 0.09687761 1\n C C4 1 0.67825362 0.20546777 0.48063160 1\n C C5 1 -0.12205751 0.81112637 0.14280713 1\n C C6 1 0.56162961 0.43068242 0.76689814 1\n C C7 1 0.50290680 0.42452623 0.54283347 1\n C C8 1 0.29762956 0.14317951 0.35935117 1\n C C9 1 0.31908498 0.88418357 0.02928325 1\n C C10 1 0.94155519 0.13046268 0.03036735 1\n C C11 1 0.57626183 0.77785294 0.81591584 1\n C C12 1 0.34024447 0.58186592 0.41122047 1\n C C13 1 0.03357431 0.85251525 0.69507772 1\n C C14 1 0.90208657 0.53205636 0.86023552 1\n C C15 1 0.26396769 0.22408082 0.13512977 1\n C C16 1 0.25812644 0.57207033 0.18856481 1\n C C17 1 0.78758219 0.08747667 0.68105260 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47419000\n_cell_length_b 4.80367000\n_cell_length_c 4.80480000\n_cell_angle_alpha 61.94080000\n_cell_angle_beta 75.05895000\n_cell_angle_gamma 104.89248000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.63568006\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18052595 0.63361876 0.29930924 1\n C C1 1 0.51348192 0.21662606 0.21626354 1\n C C2 1 0.51339038 0.71666994 0.71629134 1\n C C3 1 0.17998060 0.82031935 0.48660449 1\n C C4 1 0.51408044 0.90399718 0.90297547 1\n C C5 1 0.18059811 0.13365963 0.79929175 1\n C C6 1 0.51407578 0.40395964 0.40294195 1\n C C7 1 0.18010281 0.32034004 -0.01342578 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51285000\n_cell_length_b 4.19724000\n_cell_length_c 5.33372000\n_cell_angle_alpha 108.76880000\n_cell_angle_beta 117.33861000\n_cell_angle_gamma 100.78376000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.67494008\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63475341 0.00922431 0.62595868 1\n C C1 1 0.14579080 0.79046270 -0.08210941 1\n C C2 1 0.07284393 0.40869631 0.16307273 1\n C C3 1 0.83767625 0.51055812 0.55022255 1\n C C4 1 0.56691422 0.69402897 0.36965855 1\n C C5 1 0.49352130 0.31205590 0.61459186 1\n C C6 1 1.00460741 0.09343318 0.90673850 1\n C C7 1 0.64334677 0.84092230 0.15772522 1\n C C8 1 0.99598417 0.26163130 0.37488830 1\n C C9 1 0.80180832 0.59199799 -0.01766028 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48733000\n_cell_length_b 4.69569000\n_cell_length_c 5.29233000\n_cell_angle_alpha 47.49041000\n_cell_angle_beta 90.00243000\n_cell_angle_gamma 90.00427000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.56632520\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40885936 0.04496878 0.12167367 1\n C C1 1 0.40932734 0.28693423 0.46223394 1\n C C2 1 0.40908981 0.39997764 0.11371220 1\n C C3 1 -0.09106970 0.55539568 0.65551518 1\n C C4 1 0.90932829 0.05650923 0.68743260 1\n C C5 1 0.90880944 0.13168047 0.92040788 1\n C C6 1 -0.09096920 0.63047969 0.88865719 1\n C C7 1 0.40889046 0.64187229 0.45419466 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52300000\n_cell_length_b 4.45535000\n_cell_length_c 5.45119000\n_cell_angle_alpha 50.30562000\n_cell_angle_beta 99.88805000\n_cell_angle_gamma 97.58220000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.42911648\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15330384 0.74650777 0.80890304 1\n C C1 1 0.51315215 0.54253225 0.32123936 1\n C C2 1 0.85009994 0.15161152 0.91131971 1\n C C3 1 0.02532362 0.31240438 0.09020381 1\n C C4 1 0.56404854 0.23305603 0.29040729 1\n C C5 1 0.32556170 0.90751449 -0.01204486 1\n C C6 1 0.66269479 0.51626919 0.57786021 1\n C C7 1 0.61475462 0.82637307 0.60879924 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50130000\n_cell_length_b 7.29426000\n_cell_length_c 8.36104000\n_cell_angle_alpha 96.09340000\n_cell_angle_beta 107.39054000\n_cell_angle_gamma 99.85409000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 141.40600723\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89869390 0.65487324 0.93640523 1\n C C1 1 1.02926705 0.58076285 0.10094741 1\n C C2 1 -0.38858405 0.82318661 0.56013254 1\n C C3 1 0.71849095 0.84995610 0.15888399 1\n C C4 1 0.17988024 0.77081242 0.65509023 1\n C C5 1 0.87855090 0.21219730 0.13536617 1\n C C6 1 0.66551800 0.51681111 0.76938220 1\n C C7 1 0.27402538 0.30426833 0.48149448 1\n C C8 1 1.23496898 0.76350938 0.21801936 1\n C C9 1 0.36899726 0.69183797 0.38405141 1\n C C10 1 0.58128296 0.30696142 0.79133799 1\n C C11 1 -0.21997087 0.04682378 0.61821175 1\n C C12 1 -0.03636141 1.03035640 0.81175830 1\n C C13 1 0.53477305 0.48897705 0.15182176 1\n C C14 1 0.48638664 0.78241435 0.96089639 1\n C C15 1 0.33617694 0.17142483 0.61217981 1\n C C16 1 0.35201875 0.28678394 0.07087091 1\n C C17 1 0.85163182 0.43183705 0.49510665 1\n C C18 1 0.05034547 0.19646955 0.31599142 1\n C C19 1 0.86818399 0.04397979 0.20969947 1\n C C20 1 0.42299284 0.91253565 0.82984153 1\n C C21 1 0.13678814 0.24419387 0.87885264 1\n C C22 1 1.08970023 0.56019133 0.67069082 1\n C C23 1 -0.22035916 0.56113927 0.35940260 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46412000\n_cell_length_b 5.61488000\n_cell_length_c 6.76744000\n_cell_angle_alpha 91.87963000\n_cell_angle_beta 82.66266000\n_cell_angle_gamma 97.02290000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.15502514\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71568610 0.62759644 0.91293438 1\n C C1 1 0.16067430 0.50952771 0.00676342 1\n C C2 1 0.24667311 0.25817334 0.06688969 1\n C C3 1 0.59068123 0.77747699 0.23369407 1\n C C4 1 0.59076567 0.92322576 0.42344280 1\n C C5 1 0.25393626 1.02522386 0.96356025 1\n C C6 1 0.16284426 0.07970581 0.42664316 1\n C C7 1 0.04170655 0.62580660 0.22241305 1\n C C8 1 0.29062503 0.27457484 0.28219401 1\n C C9 1 0.22448453 0.23742537 0.61688651 1\n C C10 1 0.37925708 0.80258924 0.63088638 1\n C C11 1 0.69830572 0.87855772 0.02202949 1\n C C12 1 0.29382779 1.03586175 0.74810195 1\n C C13 1 0.77408775 0.40281782 0.58174756 1\n C C14 1 -0.15638379 0.41896300 0.35247410 1\n C C15 1 0.80342750 0.64987875 0.68615318 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47543000\n_cell_length_b 3.72279000\n_cell_length_c 4.24867000\n_cell_angle_alpha 64.01331000\n_cell_angle_beta 89.98737000\n_cell_angle_gamma 89.95450000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.19503701\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50350833 0.30637208 0.32173479 1\n C C1 1 0.50323864 0.74138836 1.04376953 1\n C C2 1 0.50290160 0.89825686 0.32156855 1\n C C3 1 1.00344581 0.28685977 0.54452903 1\n C C4 1 0.00322754 0.69486748 0.54462582 1\n C C5 1 1.00325887 0.85208734 0.82239287 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47956000\n_cell_length_b 6.91585000\n_cell_length_c 6.73020000\n_cell_angle_alpha 101.72383000\n_cell_angle_beta 111.61293000\n_cell_angle_gamma 90.03826000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 104.69660628\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61904604 0.82618793 0.71413476 1\n C C1 1 -0.13805797 0.58374411 0.45760914 1\n C C2 1 0.41794507 0.06396122 0.01602349 1\n C C3 1 0.45315580 0.69688396 0.04982593 1\n C C4 1 0.88480080 0.57259054 0.98205273 1\n C C5 1 0.34544740 0.87633015 0.44183878 1\n C C6 1 0.50175404 0.61448792 0.59754404 1\n C C7 1 0.26643769 0.86651623 0.86144773 1\n C C8 1 0.75760867 0.37010951 0.35426577 1\n C C9 1 0.64005615 0.46946535 0.73790111 1\n C C10 1 0.73720264 0.76200335 0.33460920 1\n C C11 1 0.30919484 0.08245035 0.40871227 1\n C C12 1 0.32377051 0.26309260 0.92178344 1\n C C13 1 1.13363368 0.31968724 0.23086175 1\n C C14 1 0.06262479 1.09877910 0.16163895 1\n C C15 1 0.93091192 0.37028691 0.02761571 1\n C C16 1 0.89089143 0.20615201 0.49029472 1\n C C17 1 1.11379892 0.33300462 0.71140927 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49919000\n_cell_length_b 4.26059000\n_cell_length_c 5.15198000\n_cell_angle_alpha 61.00097000\n_cell_angle_beta 89.86721000\n_cell_angle_gamma 89.99839000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.98052700\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33744307 0.01413346 0.59482877 1\n C C1 1 0.83736854 0.80353944 0.62133959 1\n C C2 1 0.33556749 0.58785074 0.08712280 1\n C C3 1 0.83601347 0.50869536 0.96147973 1\n C C4 1 -0.16302231 0.50213716 0.54119295 1\n C C5 1 0.83568906 0.20719162 0.88097071 1\n C C6 1 0.33549336 0.99695613 0.90680593 1\n C C7 1 0.33742671 0.42306489 0.41571462 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50848000\n_cell_length_b 3.41731000\n_cell_length_c 6.35741000\n_cell_angle_alpha 97.96410000\n_cell_angle_beta 90.00822000\n_cell_angle_gamma 111.56014000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.11825259\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50757672 0.01424377 0.32416026 1\n C C1 1 0.61245390 0.22319621 0.92748189 1\n C C2 1 0.34334324 0.68575234 0.48791949 1\n C C3 1 0.84413582 0.68735128 0.98775941 1\n C C4 1 0.44803673 0.89476418 0.09192530 1\n C C5 1 1.00813966 1.01539297 0.82410736 1\n C C6 1 0.94747039 -0.10644121 0.59198878 1\n C C7 1 0.11166893 0.22155066 0.42765432 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42896000\n_cell_length_b 4.15630000\n_cell_length_c 6.21083000\n_cell_angle_alpha 72.45216000\n_cell_angle_beta 78.78253000\n_cell_angle_gamma 89.93005000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.53079499\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21946586 0.08696189 0.78445953 1\n C C1 1 1.02395241 0.29547352 0.17849062 1\n C C2 1 -0.11906257 0.62362701 0.46386899 1\n C C3 1 0.67028963 1.13288772 0.88371722 1\n C C4 1 0.36740002 0.76632311 0.49244968 1\n C C5 1 0.57287382 0.25061376 0.07901875 1\n C C6 1 0.90046403 0.29142125 0.42317819 1\n C C7 1 0.34420969 0.09443394 0.53859512 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.79550000\n_cell_length_b 4.32512000\n_cell_length_c 5.87344000\n_cell_angle_alpha 53.98316000\n_cell_angle_beta 54.65257000\n_cell_angle_gamma 56.40810000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.34055150\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.36530746 0.17054666 0.36044383 1\n C C1 1 0.29092167 0.82558182 1.05072401 1\n C C2 1 0.01538881 0.78808714 0.36046205 1\n C C3 1 0.67266220 0.44331191 0.05057870 1\n C C4 1 1.07618253 0.22971487 0.86062273 1\n C C5 1 0.23114635 0.38404709 0.55047449 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46200000\n_cell_length_b 6.13055000\n_cell_length_c 6.63125000\n_cell_angle_alpha 115.23306000\n_cell_angle_beta 79.28260000\n_cell_angle_gamma 101.58422000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 88.12306028\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13093586 1.11942814 0.69341410 1\n C C1 1 0.26810483 0.20997852 0.51109452 1\n C C2 1 0.93626731 0.37878741 0.34147755 1\n C C3 1 0.46561653 0.73023018 0.62729621 1\n C C4 1 0.79863809 0.12839844 0.36603793 1\n C C5 1 0.36988800 0.78515799 0.87303125 1\n C C6 1 0.14199845 0.75434120 0.29542453 1\n C C7 1 0.59522632 0.38303247 0.02860013 1\n C C8 1 0.07155233 0.47024743 0.16052257 1\n C C9 1 0.05161179 0.83411461 0.55899430 1\n C C10 1 0.61015264 0.20756523 0.82501111 1\n C C11 1 0.82265597 0.80148664 0.98103896 1\n C C12 1 0.40280257 0.45923303 0.48599007 1\n C C13 1 0.72752761 0.85733892 0.22697637 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48065000\n_cell_length_b 5.03939000\n_cell_length_c 5.04076000\n_cell_angle_alpha 65.65293000\n_cell_angle_beta 89.98686000\n_cell_angle_gamma 89.99052000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.41016372\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76752184 -0.06023297 0.34796459 1\n C C1 1 0.26761074 0.33014340 0.01379136 1\n C C2 1 0.76821825 0.05851650 0.75941879 1\n C C3 1 0.26797785 0.52185599 0.46394321 1\n C C4 1 0.76730744 0.79798079 0.67444275 1\n C C5 1 -0.23251511 0.26595121 0.20671037 1\n C C6 1 0.26741957 0.60530384 0.73816326 1\n C C7 1 0.76810202 0.35051143 0.46681699 1\n C C8 1 0.26769255 0.83783235 0.24675831 1\n C C9 1 0.26817254 1.05590465 0.93071217 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.67864000\n_cell_length_b 4.32591000\n_cell_length_c 4.80187000\n_cell_angle_alpha 110.23289000\n_cell_angle_beta 87.00398000\n_cell_angle_gamma 123.06429000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.09040570\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12576278 0.43789075 0.55690530 1\n C C1 1 0.74336212 0.05498030 0.55655009 1\n C C2 1 0.33741377 0.65088210 0.36443145 1\n C C3 1 0.39362590 0.70759701 0.86359239 1\n C C4 1 0.77543981 0.09044691 0.86369010 1\n C C5 1 1.18100062 0.49470243 0.05602378 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53149000\n_cell_length_b 4.80116000\n_cell_length_c 4.15929000\n_cell_angle_alpha 89.98522000\n_cell_angle_beta 90.21181000\n_cell_angle_gamma 74.02886000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.60070309\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41848262 -0.08382542 0.87278110 1\n C C1 1 0.00419173 0.75269761 0.00313671 1\n C C2 1 0.27153929 0.20562610 1.02149245 1\n C C3 1 1.14958284 0.46280957 0.52147512 1\n C C4 1 0.27168201 0.20551870 0.35432110 1\n C C5 1 0.14899908 0.46312584 0.85414639 1\n C C6 1 1.00377368 0.75251736 0.37268268 1\n C C7 1 0.41815605 0.91589954 0.50307854 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51487000\n_cell_length_b 4.23118000\n_cell_length_c 6.14243000\n_cell_angle_alpha 90.02993000\n_cell_angle_beta 114.41280000\n_cell_angle_gamma 90.00272000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.51695451\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08981602 0.08396889 0.75411582 1\n C C1 1 -0.14530309 0.23747918 0.51663112 1\n C C2 1 0.97127935 0.08124540 0.13148034 1\n C C3 1 0.63012365 1.07931714 0.28843933 1\n C C4 1 0.97107838 0.71678930 0.13143990 1\n C C5 1 0.08973183 0.71385947 0.75407853 1\n C C6 1 0.72390527 0.58127853 0.88607517 1\n C C7 1 0.85461928 0.55954350 0.51652670 1\n C C8 1 0.72402972 0.21672153 0.88618809 1\n C C9 1 0.62988810 0.71815645 0.28837240 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48729000\n_cell_length_b 2.48740000\n_cell_length_c 8.24344000\n_cell_angle_alpha 81.30914000\n_cell_angle_beta 89.98547000\n_cell_angle_gamma 59.97544000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.48088697\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69318862 -0.02844229 0.76313741 1\n C C1 1 0.50522242 0.34724372 0.20067471 1\n C C2 1 0.75549423 0.84745554 0.95065731 1\n C C3 1 0.25521050 0.84709713 0.45085059 1\n C C4 1 0.19291450 -0.02861374 0.26311671 1\n C C5 1 0.44316310 0.47167627 1.01302092 1\n C C6 1 -0.05706957 0.47131862 0.51323609 1\n C C7 1 1.00548410 1.34725855 0.70082866 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46146000\n_cell_length_b 3.39656000\n_cell_length_c 6.06423000\n_cell_angle_alpha 109.99007000\n_cell_angle_beta 101.68499000\n_cell_angle_gamma 111.30111000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.18408719\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36976520 0.83817022 0.30471921 1\n C C1 1 0.46559027 0.35393369 0.98232237 1\n C C2 1 0.22289492 1.14378646 0.70682353 1\n C C3 1 0.83923151 0.90339935 0.17842372 1\n C C4 1 0.61184681 0.04696227 0.58021676 1\n C C5 1 -0.00355532 0.28971631 0.10903881 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43944000\n_cell_length_b 4.22629000\n_cell_length_c 6.52853000\n_cell_angle_alpha 90.01494000\n_cell_angle_beta 79.24906000\n_cell_angle_gamma 89.98962000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.12628011\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67109927 0.34260006 0.24405679 1\n C C1 1 -0.00125163 0.38423093 0.57892890 1\n C C2 1 0.68442212 0.99139024 0.22957451 1\n C C3 1 -0.11618574 0.33780241 0.80901686 1\n C C4 1 0.33809772 0.49085359 0.90228184 1\n C C5 1 0.21773263 0.49447603 0.14981050 1\n C C6 1 1.19075215 0.83451634 0.21505395 1\n C C7 1 0.55015678 0.38617996 0.47510487 1\n C C8 1 0.87605869 -0.01322228 0.82374749 1\n C C9 1 0.37145290 0.82952882 0.83514620 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43115000\n_cell_length_b 4.65586000\n_cell_length_c 5.81552000\n_cell_angle_alpha 114.04433000\n_cell_angle_beta 90.19185000\n_cell_angle_gamma 104.93033000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.64587149\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95258485 0.30035966 0.11543291 1\n C C1 1 0.11901487 0.63358641 0.28149606 1\n C C2 1 0.36904581 0.13378971 1.03095373 1\n C C3 1 0.45257477 0.30028300 0.61558569 1\n C C4 1 0.70257417 0.80057199 0.36462406 1\n C C5 1 0.86904391 0.13370540 0.53107043 1\n C C6 1 0.61902244 0.63345683 0.78192361 1\n C C7 1 0.20256248 0.80046139 0.86507301 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48185000\n_cell_length_b 3.68980000\n_cell_length_c 4.84124000\n_cell_angle_alpha 57.44446000\n_cell_angle_beta 75.06571000\n_cell_angle_gamma 70.30740000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01882245\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30683545 0.28796723 0.93374466 1\n C C1 1 0.85491165 0.70353838 0.42954913 1\n C C2 1 0.72851930 0.57544811 0.80294164 1\n C C3 1 0.53179017 0.04849399 0.72704753 1\n C C4 1 0.27656275 0.99100240 0.29875542 1\n C C5 1 1.05161508 0.23067889 0.50546342 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45040000\n_cell_length_b 5.96605000\n_cell_length_c 5.47797000\n_cell_angle_alpha 56.68404000\n_cell_angle_beta 63.47186000\n_cell_angle_gamma 65.90344000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.43683306\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53695555 0.52900441 0.89174584 1\n C C1 1 1.04955947 0.35800267 0.04869974 1\n C C2 1 0.72339397 0.68478162 0.54827052 1\n C C3 1 0.20170967 0.73436491 0.02291110 1\n C C4 1 -0.20324805 1.06687814 0.59482230 1\n C C5 1 0.06679110 0.52991252 0.35957928 1\n C C6 1 0.12794517 0.87826735 0.45177237 1\n C C7 1 0.60911439 0.92278883 0.92890710 1\n C C8 1 0.72207366 0.35865860 0.37442693 1\n C C9 1 0.27332848 0.06622475 0.12014301 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42990000\n_cell_length_b 4.71905000\n_cell_length_c 6.14817000\n_cell_angle_alpha 106.38349000\n_cell_angle_beta 90.05837000\n_cell_angle_gamma 120.90488000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.11555720\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28045206 0.36224959 0.49989269 1\n C C1 1 0.94806068 1.02961356 0.33261601 1\n C C2 1 -0.05175677 0.02979384 0.83231977 1\n C C3 1 0.94813970 0.52969639 1.08264660 1\n C C4 1 0.28065596 0.36243751 0.99959005 1\n C C5 1 0.28060030 0.86238582 0.24971386 1\n C C6 1 0.28066888 0.86248309 0.74957817 1\n C C7 1 0.94804658 0.52959799 0.58279026 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47113000\n_cell_length_b 2.54101000\n_cell_length_c 8.47187000\n_cell_angle_alpha 73.28000000\n_cell_angle_beta 73.04573000\n_cell_angle_gamma 89.98193000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.52973372\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02664515 1.20510258 0.17821050 1\n C C1 1 0.74564749 0.48333296 0.90898791 1\n C C2 1 0.46707619 0.19681725 0.68816808 1\n C C3 1 0.79959678 1.01999521 0.35539229 1\n C C4 1 0.34996362 0.58456715 0.80573096 1\n C C5 1 0.56506394 0.29974444 0.08629249 1\n C C6 1 0.07916974 0.30494730 0.57617218 1\n C C7 1 0.19747540 -0.08296049 0.45861890 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43008000\n_cell_length_b 2.42987000\n_cell_length_c 8.47326000\n_cell_angle_alpha 84.99956000\n_cell_angle_beta 98.32270000\n_cell_angle_gamma 120.02618000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.85563162\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05253113 1.02320314 0.50652595 1\n C C1 1 0.89175232 0.02827361 0.18163147 1\n C C2 1 0.38630442 0.69051244 0.50687714 1\n C C3 1 0.05662864 0.69503744 0.85007720 1\n C C4 1 0.55869318 0.36199665 0.18164440 1\n C C5 1 0.72328491 1.02778682 0.85054394 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46118000\n_cell_length_b 4.22086000\n_cell_length_c 5.56647000\n_cell_angle_alpha 98.92299000\n_cell_angle_beta 90.53700000\n_cell_angle_gamma 90.68285000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.11856811\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04118294 0.29005793 0.37852255 1\n C C1 1 1.12362462 -0.07360965 0.38634214 1\n C C2 1 0.38149855 0.29325200 0.96659747 1\n C C3 1 0.76013371 0.79010464 -0.01262135 1\n C C4 1 0.26914258 0.94388061 0.89058282 1\n C C5 1 0.52259198 0.39705096 0.24399567 1\n C C6 1 0.62971816 0.76779625 0.25281485 1\n C C7 1 1.15000491 0.81770729 0.62702349 1\n C C8 1 -0.00036262 0.49253922 0.61794959 1\n C C9 1 0.87064257 0.44511513 0.87044129 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48816000\n_cell_length_b 4.30407000\n_cell_length_c 4.30482000\n_cell_angle_alpha 99.59288000\n_cell_angle_beta 73.20169000\n_cell_angle_gamma 90.01925000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.46098428\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.15738218 0.53756442 0.12293457 1\n C C1 1 1.15400803 0.10024711 0.49803453 1\n C C2 1 0.65397347 0.60024604 0.49800683 1\n C C3 1 0.59246384 0.28743524 0.62297239 1\n C C4 1 1.09244081 0.78741949 0.62287375 1\n C C5 1 0.40415049 0.35039097 -0.00193235 1\n C C6 1 0.34258326 1.03756336 0.12290687 1\n C C7 1 -0.09587254 0.85037523 0.99796901 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41346000\n_cell_length_b 3.57933000\n_cell_length_c 8.92088000\n_cell_angle_alpha 89.26546000\n_cell_angle_beta 74.36503000\n_cell_angle_gamma 70.16975000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.54819047\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13917810 0.49390957 0.43843972 1\n C C1 1 0.31934578 0.65057919 0.18162685 1\n C C2 1 1.00373450 0.24852532 0.69852614 1\n C C3 1 0.90776554 0.92190800 0.45681279 1\n C C4 1 0.53073838 0.56839152 0.01295508 1\n C C5 1 1.22456673 0.14225614 0.52931859 1\n C C6 1 0.14578221 0.49194129 0.93501639 1\n C C7 1 0.39372245 0.30860030 0.27724675 1\n C C8 1 0.03235789 1.03095516 0.27898917 1\n C C9 1 0.38821103 0.32764061 0.77473714 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44122000\n_cell_length_b 7.97007000\n_cell_length_c 5.72520000\n_cell_angle_alpha 88.78524000\n_cell_angle_beta 89.92421000\n_cell_angle_gamma 98.82870000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 110.04771532\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01784208 0.22079911 0.85144431 1\n C C1 1 0.53665907 0.25904763 0.98700876 1\n C C2 1 0.23168645 0.66629316 0.08893221 1\n C C3 1 0.51374565 0.21420224 0.49552432 1\n C C4 1 0.92673497 0.04204920 0.77149458 1\n C C5 1 0.60774992 0.40578948 1.13819116 1\n C C6 1 0.33149049 0.85255722 0.52262735 1\n C C7 1 0.69437062 0.58013911 0.56213616 1\n C C8 1 0.78672409 0.76311886 0.53159649 1\n C C9 1 0.69124077 0.58373973 0.11550251 1\n C C10 1 1.05632576 0.30374971 0.60602806 1\n C C11 1 0.31794616 0.83752338 0.01594529 1\n C C12 1 0.85644437 0.91090760 -0.04658601 1\n C C13 1 0.42187632 1.03137905 0.61329660 1\n C C14 1 0.14856187 0.49124425 0.58154915 1\n C C15 1 0.53539170 0.25472839 0.24874787 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47928000\n_cell_length_b 3.87923000\n_cell_length_c 6.40334000\n_cell_angle_alpha 107.58801000\n_cell_angle_beta 101.16582000\n_cell_angle_gamma 89.99590000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.48267339\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40277062 0.98953273 0.18383313 1\n C C1 1 0.74860229 0.64240632 0.87301784 1\n C C2 1 -0.02676637 0.06157969 0.32481240 1\n C C3 1 0.06349869 -0.14708638 0.50432469 1\n C C4 1 0.31348775 0.19796212 1.00471818 1\n C C5 1 0.62978192 0.02531933 0.63586026 1\n C C6 1 0.62987464 0.40801798 0.63598225 1\n C C7 1 0.31405070 0.60148756 1.00510558 1\n C C8 1 0.74825830 1.02532760 0.87291819 1\n C C9 1 1.06336566 0.44947795 0.50417548 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.81522000\n_cell_length_b 3.82041000\n_cell_length_c 4.11676000\n_cell_angle_alpha 111.45977000\n_cell_angle_beta 99.19160000\n_cell_angle_gamma 86.58679000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.57715367\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61276075 -0.07372706 0.20813906 1\n C C1 1 0.85223573 0.65041883 0.14985576 1\n C C2 1 0.36187189 0.78726296 0.31441550 1\n C C3 1 0.41155662 0.41603044 0.31322640 1\n C C4 1 0.76465638 0.27192377 0.85138747 1\n C C5 1 0.16050232 0.27639930 0.41841799 1\n C C6 1 0.26960557 0.05399870 0.66326459 1\n C C7 1 0.01183016 0.93059958 0.77482794 1\n C C8 1 0.08661096 0.88256404 1.12258690 1\n C C9 1 0.68786654 0.32044944 0.50394840 1\n C C10 1 0.50598562 0.14976394 -0.03539408 1\n C C11 1 0.92250387 0.55268407 0.47585746 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51370000\n_cell_length_b 4.18689000\n_cell_length_c 4.18657000\n_cell_angle_alpha 109.78722000\n_cell_angle_beta 107.46476000\n_cell_angle_gamma 107.43592000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.37756946\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64461590 0.22628991 0.34883206 1\n C C1 1 0.79440322 0.18232673 0.69326897 1\n C C2 1 0.12596872 0.51333324 1.02400394 1\n C C3 1 0.27605013 0.46942155 0.36838331 1\n C C4 1 0.27651579 0.85775047 -0.01988196 1\n C C5 1 0.64425084 0.83781331 0.73702217 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52015000\n_cell_length_b 4.96507000\n_cell_length_c 5.97834000\n_cell_angle_alpha 120.59370000\n_cell_angle_beta 76.33342000\n_cell_angle_gamma 108.01892000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.94943743\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81105924 0.11171295 0.43172281 1\n C C1 1 1.19759701 0.59979661 0.81402603 1\n C C2 1 0.15231760 0.41985743 0.53238415 1\n C C3 1 0.77788903 0.82450959 0.90872891 1\n C C4 1 0.54431039 -0.03693526 0.60736890 1\n C C5 1 0.38610739 0.61324884 0.41869004 1\n C C6 1 0.02386383 0.41010122 -0.02640865 1\n C C7 1 0.50002015 0.55315339 0.14707169 1\n C C8 1 0.97373246 1.05244675 0.78936815 1\n C C9 1 -0.29955071 0.88946628 0.18115387 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.96593000\n_cell_length_b 4.83979000\n_cell_length_c 5.70375000\n_cell_angle_alpha 93.58388000\n_cell_angle_beta 74.06510000\n_cell_angle_gamma 134.63040000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.54544441\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59448031 0.29549613 -0.02048787 1\n C C1 1 0.18814023 0.33313827 0.38235864 1\n C C2 1 0.48087607 0.97921329 0.09163441 1\n C C3 1 0.44717359 0.46300590 1.12778177 1\n C C4 1 0.59455605 0.77658393 -0.02062285 1\n C C5 1 0.22186450 0.84944034 0.34627605 1\n C C6 1 0.83534852 0.80576245 0.73626234 1\n C C7 1 0.07400095 0.01662358 0.49440425 1\n C C8 1 0.83257020 0.50537596 0.73686782 1\n C C9 1 1.07453218 0.53558225 0.49442224 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51703000\n_cell_length_b 2.48771000\n_cell_length_c 4.30383000\n_cell_angle_alpha 106.79196000\n_cell_angle_beta 114.10827000\n_cell_angle_gamma 90.01720000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60267513\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64487336 0.11557791 0.88114378 1\n C C1 1 1.06194954 0.28218469 0.21470229 1\n C C2 1 -0.02179331 0.44891125 0.54781045 1\n C C3 1 0.39528287 0.61551802 0.88136895 1\n C C4 1 0.31154003 0.78224458 0.21447711 1\n C C5 1 0.72861621 0.94885135 0.54803562 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45776000\n_cell_length_b 6.10370000\n_cell_length_c 4.47787000\n_cell_angle_alpha 107.20100000\n_cell_angle_beta 74.55446000\n_cell_angle_gamma 89.63047000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.58698763\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43188939 0.08253292 0.60332222 1\n C C1 1 1.11849140 0.77756175 0.22259661 1\n C C2 1 0.75778864 0.43440248 -0.05730266 1\n C C3 1 0.90828360 0.22094223 0.64627134 1\n C C4 1 0.05294660 0.30947778 0.35589413 1\n C C5 1 0.23431597 0.57342561 -0.01469603 1\n C C6 1 0.61311474 0.34734163 0.23406176 1\n C C7 1 0.54823135 0.87941981 0.36463014 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48105000\n_cell_length_b 4.21635000\n_cell_length_c 3.68927000\n_cell_angle_alpha 104.78392000\n_cell_angle_beta 109.64222000\n_cell_angle_gamma 89.97405000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98972197\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49666415 0.05527171 0.38811185 1\n C C1 1 0.97730842 0.83290981 0.34963250 1\n C C2 1 0.71898069 0.26169427 0.83349234 1\n C C3 1 0.29724499 0.13059381 -0.01004619 1\n C C4 1 0.17808639 0.75776359 0.74764255 1\n C C5 1 0.75645007 0.62686431 0.90476925 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53643000\n_cell_length_b 2.47945000\n_cell_length_c 6.25032000\n_cell_angle_alpha 78.47618000\n_cell_angle_beta 113.09630000\n_cell_angle_gamma 90.03473000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.29632862\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74844961 -0.01432570 0.41994522 1\n C C1 1 -0.05402913 0.64383145 0.10452329 1\n C C2 1 0.54512237 0.33618460 0.72331598 1\n C C3 1 0.59937010 0.56283164 0.26533671 1\n C C4 1 0.40217416 0.90635429 0.58099961 1\n C C5 1 0.80245740 0.21537953 -0.03859551 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45968000\n_cell_length_b 3.39787000\n_cell_length_c 5.97752000\n_cell_angle_alpha 62.28886000\n_cell_angle_beta 78.09681000\n_cell_angle_gamma 68.74596000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17679643\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05703272 0.41901216 0.37531289 1\n C C1 1 0.22941149 -0.11825290 0.56945784 1\n C C2 1 0.65658047 0.34874749 0.24792058 1\n C C3 1 0.69283970 0.56126031 0.97216259 1\n C C4 1 0.20359300 0.66673651 0.84535746 1\n C C5 1 0.82798763 0.81168492 0.44212594 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33091000\n_cell_length_b 3.93307000\n_cell_length_c 9.91527000\n_cell_angle_alpha 89.25933000\n_cell_angle_beta 94.36513000\n_cell_angle_gamma 104.79262000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 125.22456901\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07670862 0.34708637 0.06767400 1\n C C1 1 0.24734577 0.56265618 0.42980953 1\n C C2 1 0.65092286 0.88434240 0.43900745 1\n C C3 1 1.09349663 0.37380520 0.30360705 1\n C C4 1 0.58127841 0.06813247 0.56581859 1\n C C5 1 0.40092117 1.14464295 0.85730486 1\n C C6 1 0.77568079 0.05959126 0.30833730 1\n C C7 1 0.50200871 0.40426245 0.53417509 1\n C C8 1 0.33111716 0.47428797 0.66101226 1\n C C9 1 -0.07930487 0.66850873 0.50836165 1\n C C10 1 0.64379272 0.38758198 0.76662753 1\n C C11 1 0.87747984 0.67465632 0.84964554 1\n C C12 1 0.21492691 0.50805595 -0.06184047 1\n C C13 1 1.08146545 0.94442035 0.75825575 1\n C C14 1 0.77190861 1.01902965 0.06987413 1\n C C15 1 0.58668164 0.84281102 0.93743445 1\n C C16 1 0.59999266 0.86741499 0.18874469 1\n C C17 1 -0.09411346 0.21075456 0.68628538 1\n C C18 1 0.23108193 0.81041521 0.63336870 1\n C C19 1 0.26084916 0.53119018 0.18591301 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43021000\n_cell_length_b 2.43058000\n_cell_length_c 8.53604000\n_cell_angle_alpha 81.76295000\n_cell_angle_beta 88.35013000\n_cell_angle_gamma 59.97294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.14929803\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53304686 0.19949568 0.14379442 1\n C C1 1 0.17745691 0.11543654 0.81124320 1\n C C2 1 0.51086649 0.44848039 0.81119928 1\n C C3 1 0.86605814 0.53312967 0.14375888 1\n C C4 1 0.75179157 -0.11638821 0.47755135 1\n C C5 1 0.41913193 0.54972283 0.47814247 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.69006000\n_cell_length_b 2.48143000\n_cell_length_c 4.84617000\n_cell_angle_alpha 75.22855000\n_cell_angle_beta 57.33363000\n_cell_angle_gamma 70.33994000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02710192\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32200095 0.72842863 0.32420092 1\n C C1 1 0.56089647 0.50698789 0.53054641 1\n C C2 1 0.97866630 0.04667407 0.02717575 1\n C C3 1 -0.15129538 -0.07141990 0.39944773 1\n C C4 1 0.26647445 0.46826628 0.89607707 1\n C C5 1 0.50536998 0.24682554 0.10242256 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45866000\n_cell_length_b 3.40205000\n_cell_length_c 5.95902000\n_cell_angle_alpha 71.88326000\n_cell_angle_beta 78.13412000\n_cell_angle_gamma 111.24126000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.20634097\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26892144 0.11195984 0.82809935 1\n C C1 1 0.90282164 0.57708569 1.02193063 1\n C C2 1 0.51439807 0.32611979 0.55223074 1\n C C3 1 0.37493563 0.64812016 0.14961085 1\n C C4 1 0.13030100 0.43296529 0.42541787 1\n C C5 1 0.74030902 0.18322363 0.95566806 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47234000\n_cell_length_b 3.76589000\n_cell_length_c 7.26635000\n_cell_angle_alpha 84.45960000\n_cell_angle_beta 99.80308000\n_cell_angle_gamma 89.97689000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.34473884\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04770643 0.24728500 1.01966180 1\n C C1 1 0.60693824 0.25516494 0.13453095 1\n C C2 1 -0.04231510 1.16314644 0.84420235 1\n C C3 1 0.32521760 0.47724402 0.57850352 1\n C C4 1 0.67623103 -0.08144274 0.27161712 1\n C C5 1 0.32800123 0.87649053 0.58345645 1\n C C6 1 0.77199735 0.00434023 0.46878434 1\n C C7 1 0.77029909 0.39177707 0.46569378 1\n C C8 1 0.40229018 0.15123485 0.73437031 1\n C C9 1 0.67399914 0.54691855 0.26765728 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44217000\n_cell_length_b 4.19331000\n_cell_length_c 6.54105000\n_cell_angle_alpha 109.27958000\n_cell_angle_beta 100.73405000\n_cell_angle_gamma 90.03036000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.98334158\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19440915 1.11759164 0.52901156 1\n C C1 1 0.51768927 0.84489632 1.17876627 1\n C C2 1 0.85436806 0.47906022 0.84584898 1\n C C3 1 0.49631129 0.17102492 0.14148287 1\n C C4 1 0.29966666 0.36632501 0.73940760 1\n C C5 1 0.97191158 0.64548979 0.08895508 1\n C C6 1 -0.00992025 0.32252481 0.13100206 1\n C C7 1 0.63947534 0.00663028 0.42251278 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46682000\n_cell_length_b 3.37929000\n_cell_length_c 5.79367000\n_cell_angle_alpha 81.15173000\n_cell_angle_beta 115.21132000\n_cell_angle_gamma 111.36323000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.69360375\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.16357625 0.90136598 0.35377008 1\n C C1 1 0.77504622 0.52524157 0.15290221 1\n C C2 1 0.99926176 0.77580066 0.75278289 1\n C C3 1 0.39764960 0.82277092 0.62817278 1\n C C4 1 0.62792564 0.07933132 0.22888003 1\n C C5 1 0.23785633 0.70210845 1.02753851 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68937000\n_cell_length_b 2.47953000\n_cell_length_c 4.89505000\n_cell_angle_alpha 59.52664000\n_cell_angle_beta 92.80300000\n_cell_angle_gamma 70.37589000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00160341\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17146543 0.87992297 0.07452802 1\n C C1 1 0.41353147 0.38589438 0.44714904 1\n C C2 1 0.77298941 0.00467339 0.14933388 1\n C C3 1 0.81116636 1.26259271 0.37183058 1\n C C4 1 0.25619054 0.83332804 0.57796100 1\n C C5 1 0.32778370 0.43324681 0.94298760 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48614000\n_cell_length_b 4.14736000\n_cell_length_c 6.67679000\n_cell_angle_alpha 78.62131000\n_cell_angle_beta 89.99278000\n_cell_angle_gamma 90.00139000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.49067927\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05463113 0.19359405 0.21244099 1\n C C1 1 0.55490707 0.69332630 0.59320931 1\n C C2 1 0.05470288 0.76522207 0.91875932 1\n C C3 1 1.05484150 0.21235523 0.59564353 1\n C C4 1 0.55471595 0.64282968 0.36853078 1\n C C5 1 0.55471552 0.91657716 0.98910027 1\n C C6 1 0.55481377 0.33858735 0.68078380 1\n C C7 1 0.55467984 0.27127356 0.90090242 1\n C C8 1 0.05463254 0.39749511 -0.01319310 1\n C C9 1 1.05484806 -0.15587297 0.66497360 1\n C C10 1 0.05473038 0.41639878 0.36919166 1\n C C11 1 0.55463505 0.96715489 0.21306002 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48347000\n_cell_length_b 4.72100000\n_cell_length_c 6.27236000\n_cell_angle_alpha 100.46576000\n_cell_angle_beta 101.42754000\n_cell_angle_gamma 105.24693000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.38699713\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74472141 0.82524040 0.51570011 1\n C C1 1 0.90046397 0.40858734 0.24657665 1\n C C2 1 0.47178560 0.91484078 0.88296903 1\n C C3 1 0.94714215 0.98112119 0.76557346 1\n C C4 1 0.32567892 0.58081143 0.92566979 1\n C C5 1 0.14087511 0.93128062 0.20467749 1\n C C6 1 0.51084944 0.29621402 0.57538439 1\n C C7 1 0.51956015 0.48714855 0.40305148 1\n C C8 1 0.91008340 0.60107320 0.07478187 1\n C C9 1 0.67545084 0.07057990 0.13326880 1\n C C10 1 0.28041700 0.96606683 0.44542582 1\n C C11 1 0.09405241 0.31544003 0.72288591 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56202000\n_cell_length_b 4.16141000\n_cell_length_c 5.99293000\n_cell_angle_alpha 89.98500000\n_cell_angle_beta 50.17606000\n_cell_angle_gamma 89.97856000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.07185364\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92662509 0.74566651 0.57950496 1\n C C1 1 0.92659366 0.07673486 0.57977040 1\n C C2 1 0.31119946 0.57672718 0.32408116 1\n C C3 1 0.49009193 0.22597019 -0.12935183 1\n C C4 1 0.31085266 0.24565473 0.32431391 1\n C C5 1 -0.50963180 0.59568951 0.87036628 1\n C C6 1 0.74646005 0.09565010 0.03354034 1\n C C7 1 0.74689375 0.72599591 1.03326137 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51445000\n_cell_length_b 4.18760000\n_cell_length_c 4.18711000\n_cell_angle_alpha 109.80096000\n_cell_angle_beta 107.41989000\n_cell_angle_gamma 107.43918000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.40864554\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62609605 0.41311346 0.46349207 1\n C C1 1 0.62651300 0.02481263 0.85171695 1\n C C2 1 0.25823815 0.04431983 0.09465096 1\n C C3 1 0.25809980 0.65612005 0.48305889 1\n C C4 1 0.77628646 0.36927286 0.80794912 1\n C C5 1 1.10806934 0.69989598 0.13857911 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.96495000\n_cell_length_b 3.61320000\n_cell_length_c 4.84416000\n_cell_angle_alpha 74.80636000\n_cell_angle_beta 71.64561000\n_cell_angle_gamma 100.09478000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.61186120\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10239503 0.33205106 0.38235600 1\n C C1 1 0.39130020 0.76991990 0.88067499 1\n C C2 1 0.20217351 0.98554224 0.07150779 1\n C C3 1 0.70635073 -0.07156119 0.57238127 1\n C C4 1 0.89706429 0.71297721 0.38164334 1\n C C5 1 0.20212969 0.36675318 0.07073210 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26517000\n_cell_length_b 3.28092000\n_cell_length_c 3.63424000\n_cell_angle_alpha 104.59729000\n_cell_angle_beta 104.54293000\n_cell_angle_gamma 80.79476000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.27409710\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23080363 0.77674863 0.58685293 1\n C C1 1 0.17509832 0.04229210 -0.03128926 1\n C C2 1 0.85871722 0.35984792 -0.03161521 1\n C C3 1 0.59250921 0.41488948 0.58648062 1\n C C4 1 0.44413550 0.98877708 0.35057283 1\n C C5 1 0.80460321 0.62817130 0.35020218 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.79923000\n_cell_length_b 4.82358000\n_cell_length_c 5.03031000\n_cell_angle_alpha 126.83590000\n_cell_angle_beta 110.67204000\n_cell_angle_gamma 98.85442000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.38824544\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11111070 0.64318119 0.49605617 1\n C C1 1 0.14507190 0.37020029 0.53224113 1\n C C2 1 0.49240842 0.02412836 -0.12223718 1\n C C3 1 0.55093530 0.58370194 0.93685326 1\n C C4 1 0.76488428 -0.01081483 0.15046652 1\n C C5 1 0.70587860 0.42953345 1.09129919 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27037000\n_cell_length_b 3.27391000\n_cell_length_c 3.63431000\n_cell_angle_alpha 75.41568000\n_cell_angle_beta 75.43995000\n_cell_angle_gamma 80.81259000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25556509\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42253808 0.34655207 -0.11513351 1\n C C1 1 0.47763514 1.08057363 0.26615476 1\n C C2 1 0.21148593 0.13453207 0.64758102 1\n C C3 1 1.06173607 0.70826925 0.88444204 1\n C C4 1 0.84940756 0.49495597 0.64750877 1\n C C5 1 0.79404133 0.76301020 0.26584073 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48750000\n_cell_length_b 6.36557000\n_cell_length_c 8.82704000\n_cell_angle_alpha 70.04477000\n_cell_angle_beta 73.76188000\n_cell_angle_gamma 80.52952000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 125.76727695\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35919143 0.79640121 0.46144296 1\n C C1 1 0.21320118 0.98728405 0.03672607 1\n C C2 1 0.75081896 0.84936822 0.54156459 1\n C C3 1 0.37399335 0.56790217 1.06385681 1\n C C4 1 0.48754495 0.47944729 0.66972158 1\n C C5 1 0.35309500 0.27050681 0.80671028 1\n C C6 1 0.77182964 0.23566177 0.35079160 1\n C C7 1 1.08957991 0.85721216 0.21280850 1\n C C8 1 0.65383887 0.09268628 0.53936545 1\n C C9 1 0.46958362 0.54832541 0.50002400 1\n C C10 1 0.38568336 0.17778931 0.26544312 1\n C C11 1 0.06459199 0.11820125 0.62206619 1\n C C12 1 0.82131983 0.93712875 0.95419771 1\n C C13 1 0.64563490 0.48609933 0.33947709 1\n C C14 1 0.59983189 0.68690322 0.71002866 1\n C C15 1 0.13737771 0.24362779 -0.00219406 1\n C C16 1 0.19022947 0.59993981 0.23831436 1\n C C17 1 0.48119942 0.92567367 0.28577576 1\n C C18 1 0.90312199 0.68348760 0.96900591 1\n C C19 1 0.51767647 0.31437585 0.07558001 1\n C C20 1 -0.08032858 0.13569208 0.78822170 1\n C C21 1 1.01810554 0.68776076 0.79662823 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45644000\n_cell_length_b 3.66482000\n_cell_length_c 6.47116000\n_cell_angle_alpha 73.56744000\n_cell_angle_beta 79.06637000\n_cell_angle_gamma 70.40821000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.35094611\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47732345 1.00910197 0.57212401 1\n C C1 1 0.11143002 0.07541387 0.23803574 1\n C C2 1 0.88466946 0.47469720 0.28905977 1\n C C3 1 0.32581267 0.44750704 0.43435679 1\n C C4 1 0.38013880 -0.03280173 0.80850316 1\n C C5 1 0.83300296 -0.04459052 0.91497818 1\n C C6 1 0.10276456 0.84729019 0.48484362 1\n C C7 1 0.73497827 -0.08644541 0.15126213 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47870000\n_cell_length_b 3.68916000\n_cell_length_c 4.89450000\n_cell_angle_alpha 92.88886000\n_cell_angle_beta 120.43646000\n_cell_angle_gamma 109.64421000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97492169\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02381537 0.12164145 0.42104222 1\n C C1 1 0.45297926 0.56693841 0.62746946 1\n C C2 1 0.57602764 0.96467056 0.55223853 1\n C C3 1 0.06927261 0.20703992 0.92485863 1\n C C4 1 0.62261522 1.05054248 1.05603047 1\n C C5 1 0.19380980 0.60500227 0.84960389 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42468000\n_cell_length_b 3.55777000\n_cell_length_c 7.92468000\n_cell_angle_alpha 80.20941000\n_cell_angle_beta 111.39203000\n_cell_angle_gamma 74.01210000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.32882837\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76517411 0.37771478 0.90081368 1\n C C1 1 0.76519898 0.37775970 0.40075332 1\n C C2 1 0.76509778 -0.12225928 0.15076233 1\n C C3 1 0.09820911 0.54355175 0.81762070 1\n C C4 1 0.76528123 0.87770209 0.65079375 1\n C C5 1 0.09815100 1.04364948 0.06762401 1\n C C6 1 0.09822043 0.54383233 0.31763493 1\n C C7 1 0.09828287 0.04369965 0.56761928 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43292000\n_cell_length_b 6.41278000\n_cell_length_c 5.74726000\n_cell_angle_alpha 92.98528000\n_cell_angle_beta 96.54717000\n_cell_angle_gamma 101.02142000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.18835371\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10091836 0.43578882 0.33283762 1\n C C1 1 0.76653202 0.76865442 0.32906959 1\n C C2 1 0.29472990 0.47669957 0.82769199 1\n C C3 1 0.51724429 0.92124259 0.82749749 1\n C C4 1 0.54527159 0.32453866 0.33436907 1\n C C5 1 0.43480339 0.10276556 0.33500477 1\n C C6 1 0.62814685 0.14314792 -0.17026439 1\n C C7 1 0.18494263 0.25514502 -0.16921174 1\n C C8 1 0.85041048 0.58770603 0.82673812 1\n C C9 1 0.96035672 0.80936280 0.82553375 1\n C C10 1 0.21020611 0.65724753 0.32846880 1\n C C11 1 0.87745825 0.99055368 0.33219664 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32115000\n_cell_length_b 3.35912000\n_cell_length_c 8.69665000\n_cell_angle_alpha 81.51142000\n_cell_angle_beta 110.94574000\n_cell_angle_gamma 83.01965000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 88.00728898\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52233016 -0.18044425 -0.09737991 1\n C C1 1 0.54805254 0.65381502 0.60189152 1\n C C2 1 0.88077294 0.40946465 0.75556361 1\n C C3 1 0.85215717 0.52118079 0.90236193 1\n C C4 1 0.90200759 1.14619266 0.28968660 1\n C C5 1 0.20061640 0.07805782 0.75567093 1\n C C6 1 0.97159736 0.52698693 0.18752670 1\n C C7 1 0.57868675 0.55468748 0.45199180 1\n C C8 1 0.89374999 0.23426124 0.45203267 1\n C C9 1 0.52322804 0.73770643 0.07508499 1\n C C10 1 0.46116499 1.03240964 0.17668273 1\n C C11 1 0.24503368 0.80493873 0.28962101 1\n C C12 1 0.19627141 0.42961836 0.07508141 1\n C C13 1 0.22113688 -0.01745318 0.60197940 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41031000\n_cell_length_b 3.81654000\n_cell_length_c 4.04338000\n_cell_angle_alpha 104.33446000\n_cell_angle_beta 99.76917000\n_cell_angle_gamma 60.05111000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.11347235\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49003388 0.11945918 0.72132879 1\n C C1 1 0.08618973 0.33307552 0.52903092 1\n C C2 1 0.92888962 0.17516339 0.22104982 1\n C C3 1 0.52565210 0.38895576 1.02843654 1\n C C4 1 0.14342657 0.77156613 1.02894947 1\n C C5 1 0.87168169 0.73656773 0.72123556 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43001000\n_cell_length_b 2.43001000\n_cell_length_c 8.48015000\n_cell_angle_alpha 99.13821000\n_cell_angle_beta 82.13329000\n_cell_angle_gamma 120.01718000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.71161060\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46281130 -0.32176047 0.21980540 1\n C C1 1 1.33977674 0.79137213 0.55317954 1\n C C2 1 0.67267211 0.45806981 0.55378565 1\n C C3 1 0.55927686 0.53524371 0.89333243 1\n C C4 1 0.12942938 0.01145367 0.21993855 1\n C C5 1 -0.10733029 0.20184504 0.89317843 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48112000\n_cell_length_b 3.68740000\n_cell_length_c 4.22065000\n_cell_angle_alpha 74.98803000\n_cell_angle_beta 90.01506000\n_cell_angle_gamma 109.65368000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96311770\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20574971 0.69052107 0.40246094 1\n C C1 1 0.88187191 1.04667725 0.70026934 1\n C C2 1 1.00679229 0.29372679 0.32611478 1\n C C3 1 0.42848120 0.13670119 0.19558304 1\n C C4 1 0.68538602 0.64962235 0.62434939 1\n C C5 1 0.46025418 0.20333715 0.83100232 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05456000\n_cell_length_b 4.84944000\n_cell_length_c 4.64551000\n_cell_angle_alpha 58.88267000\n_cell_angle_beta 74.97776000\n_cell_angle_gamma 90.52130000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.04072848\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21924266 0.16465215 0.74130468 1\n C C1 1 1.05312092 0.33095469 0.90858487 1\n C C2 1 -0.28296390 0.16486574 0.24080820 1\n C C3 1 0.55502548 0.33075811 0.40894003 1\n C C4 1 0.71704252 0.66486084 0.24081383 1\n C C5 1 1.05312827 0.83095112 0.90858977 1\n C C6 1 0.55503693 0.83075170 0.40894873 1\n C C7 1 0.21924212 0.66464775 0.74130708 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47951000\n_cell_length_b 2.47965000\n_cell_length_c 8.30017000\n_cell_angle_alpha 98.56240000\n_cell_angle_beta 81.43147000\n_cell_angle_gamma 120.02108000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.52747435\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31448185 -0.08483739 0.85619234 1\n C C1 1 0.66929154 0.56061334 0.79325526 1\n C C2 1 0.14651422 0.08240267 0.35915322 1\n C C3 1 0.50117610 0.72773575 0.29621901 1\n C C4 1 -0.26940072 0.49905697 0.60752325 1\n C C5 1 1.08513873 0.14454878 0.54501847 1\n C C6 1 0.56308419 0.66532954 0.10783431 1\n C C7 1 0.25131138 0.97733074 0.04445395 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42570000\n_cell_length_b 4.21363000\n_cell_length_c 4.21520000\n_cell_angle_alpha 89.78669000\n_cell_angle_beta 90.02733000\n_cell_angle_gamma 89.98456000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.08326379\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38335273 0.16058665 0.49100356 1\n C C1 1 0.38365195 0.50873770 0.55230600 1\n C C2 1 0.38308853 0.10043785 0.14341622 1\n C C3 1 0.88304957 0.07155516 0.98759391 1\n C C4 1 -0.11658859 1.01224583 0.64016463 1\n C C5 1 0.88372861 0.66419561 0.58003848 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58466000\n_cell_length_b 4.82485000\n_cell_length_c 7.13160000\n_cell_angle_alpha 67.31283000\n_cell_angle_beta 71.69675000\n_cell_angle_gamma 106.25090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.26139423\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23027003 0.18040929 0.03716503 1\n C C1 1 0.72455551 0.02606849 0.26753600 1\n C C2 1 0.19334739 1.06065164 0.87691075 1\n C C3 1 0.91820503 0.20939329 0.72685563 1\n C C4 1 1.15222542 0.56144882 0.68800183 1\n C C5 1 0.17979189 0.88832526 0.24130567 1\n C C6 1 0.71215643 0.52311633 0.90374114 1\n C C7 1 0.05779811 0.12163061 0.53885404 1\n C C8 1 0.11631833 0.60696097 0.19075825 1\n C C9 1 0.74927044 1.23296402 0.38573693 1\n C C10 1 0.75849240 0.73336764 0.66978436 1\n C C11 1 0.80541154 0.68546973 0.03602687 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.11432000\n_cell_length_b 4.35939000\n_cell_length_c 5.88610000\n_cell_angle_alpha 93.38006000\n_cell_angle_beta 99.80143000\n_cell_angle_gamma 111.83463000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.44120712\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10411365 0.91262821 0.70709192 1\n C C1 1 0.29621290 0.74373164 0.28579834 1\n C C2 1 0.90812259 0.74065910 -0.10791256 1\n C C3 1 0.27555577 0.91141188 0.08848519 1\n C C4 1 0.57774163 0.41172709 0.89311299 1\n C C5 1 0.97173753 0.24603942 0.47483400 1\n C C6 1 0.64774044 0.91781052 0.47393222 1\n C C7 1 0.21942031 0.24090505 0.70825562 1\n C C8 1 0.96581594 0.41410110 0.28653513 1\n C C9 1 0.60298735 0.24200279 0.08904885 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48125000\n_cell_length_b 3.68929000\n_cell_length_c 4.84195000\n_cell_angle_alpha 111.54256000\n_cell_angle_beta 104.80574000\n_cell_angle_gamma 109.67007000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99579739\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16667091 1.00756250 0.09401903 1\n C C1 1 0.41696621 0.13677588 0.46683187 1\n C C2 1 1.12614666 0.42445310 0.59760227 1\n C C3 1 0.45744091 0.71969144 -0.03719104 1\n C C4 1 0.14220746 0.66316890 0.39093896 1\n C C5 1 0.44128695 0.48052878 0.16917901 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43107000\n_cell_length_b 2.60782000\n_cell_length_c 9.07777000\n_cell_angle_alpha 110.25683000\n_cell_angle_beta 100.55692000\n_cell_angle_gamma 84.59014000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.04805420\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08653311 0.24961260 0.45803593 1\n C C1 1 0.43054752 0.30535730 0.12543762 1\n C C2 1 0.17236013 0.53028143 0.62408674 1\n C C3 1 0.71317577 0.67469790 0.70450085 1\n C C4 1 0.54326996 1.12079316 0.37670257 1\n C C5 1 0.45974165 -0.10456607 0.20322727 1\n C C6 1 0.34344907 0.08094983 0.95180073 1\n C C7 1 -0.20061591 0.95415366 0.87059479 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46617000\n_cell_length_b 3.38587000\n_cell_length_c 5.25753000\n_cell_angle_alpha 91.21669000\n_cell_angle_beta 89.98944000\n_cell_angle_gamma 68.68133000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.88634494\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48154497 0.40689928 0.63746968 1\n C C1 1 0.92982370 0.51908845 0.03796327 1\n C C2 1 0.88877396 0.59347124 0.31281212 1\n C C3 1 0.29722649 0.77614457 0.43727519 1\n C C4 1 1.07202170 0.22505799 0.51164261 1\n C C5 1 0.45033457 0.47720637 -0.08777406 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43082000\n_cell_length_b 3.15654000\n_cell_length_c 8.87710000\n_cell_angle_alpha 112.07397000\n_cell_angle_beta 89.71632000\n_cell_angle_gamma 113.05548000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.26572424\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02438410 0.57601672 0.78589041 1\n C C1 1 0.36054003 0.24713424 0.11879615 1\n C C2 1 0.27378920 1.07418733 0.53601747 1\n C C3 1 0.61020548 0.74730947 0.86891870 1\n C C4 1 0.10956762 0.74508871 0.36889567 1\n C C5 1 0.85783714 0.24257293 0.61916220 1\n C C6 1 0.52487208 0.57613465 0.28559899 1\n C C7 1 0.77667814 0.07918055 0.03549751 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45432000\n_cell_length_b 4.58833000\n_cell_length_c 7.75518000\n_cell_angle_alpha 70.81458000\n_cell_angle_beta 87.78984000\n_cell_angle_gamma 75.95805000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.93686844\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20604958 0.13564485 0.83756913 1\n C C1 1 0.69214059 0.04215613 0.42149895 1\n C C2 1 0.30447726 0.67890831 0.67522499 1\n C C3 1 0.48482125 0.46096224 0.56367728 1\n C C4 1 0.36999659 0.82386849 0.00985331 1\n C C5 1 0.67804022 0.14031971 0.71405666 1\n C C6 1 0.18669053 0.46169078 0.85942429 1\n C C7 1 0.73180558 0.88805102 0.62508626 1\n C C8 1 0.97617030 0.50090682 0.44225449 1\n C C9 1 0.11771481 0.29324398 0.16249965 1\n C C10 1 0.82695224 0.82633969 0.30419499 1\n C C11 1 0.29308342 0.93242936 0.18032849 1\n C C12 1 1.00557057 0.59554690 0.00930702 1\n C C13 1 0.10776616 0.24419733 0.36015060 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42899000\n_cell_length_b 6.21631000\n_cell_length_c 4.15404000\n_cell_angle_alpha 72.47553000\n_cell_angle_beta 89.91076000\n_cell_angle_gamma 78.77849000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.55956620\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77232268 -0.08542927 0.10237830 1\n C C1 1 0.25647712 0.94500980 0.24349639 1\n C C2 1 0.10826022 0.23033257 0.57314023 1\n C C3 1 0.55725594 0.32953163 0.61845902 1\n C C4 1 0.45875117 0.52589871 0.73193299 1\n C C5 1 0.78896824 0.87077845 0.77190802 1\n C C6 1 1.23125352 0.98612526 0.57562662 1\n C C7 1 0.90852701 0.62544245 -0.22327507 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48761000\n_cell_length_b 3.51554000\n_cell_length_c 4.30430000\n_cell_angle_alpha 65.90901000\n_cell_angle_beta 73.20565000\n_cell_angle_gamma 90.00141000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59691274\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02317964 -0.11407484 0.79677478 1\n C C1 1 0.68988764 0.55251147 0.46346029 1\n C C2 1 0.85665838 0.46930445 0.13013589 1\n C C3 1 0.35653170 0.21920474 0.13012130 1\n C C4 1 0.52330245 0.13599771 0.79679691 1\n C C5 1 0.19001044 0.80258403 0.46348241 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50631000\n_cell_length_b 3.94702000\n_cell_length_c 4.78083000\n_cell_angle_alpha 86.84644000\n_cell_angle_beta 81.67479000\n_cell_angle_gamma 79.88224000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.04679892\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27245942 0.48864024 0.89334187 1\n C C1 1 0.56496289 0.57512398 0.36175894 1\n C C2 1 0.99891607 0.06343468 0.60441173 1\n C C3 1 0.74723753 0.38849601 0.07829391 1\n C C4 1 0.08495105 0.85893748 0.86315530 1\n C C5 1 1.02073976 0.81669191 0.36624744 1\n C C6 1 0.45391079 0.30417511 0.60907725 1\n C C7 1 -0.06442651 0.01971429 0.10731576 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48155000\n_cell_length_b 3.68799000\n_cell_length_c 4.21888000\n_cell_angle_alpha 75.05782000\n_cell_angle_beta 90.08282000\n_cell_angle_gamma 109.64227000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98007892\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85686410 0.21372361 0.14062444 1\n C C1 1 -0.02407947 0.45931884 0.76685927 1\n C C2 1 0.43528496 0.37064783 0.27122599 1\n C C3 1 0.65606168 0.81606372 0.06474285 1\n C C4 1 0.17629529 0.85683494 0.84263836 1\n C C5 1 0.39739994 0.30212475 0.63634378 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.18545000\n_cell_length_b 4.19399000\n_cell_length_c 6.07806000\n_cell_angle_alpha 111.67066000\n_cell_angle_beta 107.02729000\n_cell_angle_gamma 80.97261000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.04553715\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11649529 0.08346010 0.14009644 1\n C C1 1 0.39481415 0.81511750 0.38198280 1\n C C2 1 -0.08258363 0.63824395 0.73623576 1\n C C3 1 0.36006130 0.60007274 0.13982495 1\n C C4 1 0.60254587 0.84192597 0.62379471 1\n C C5 1 0.09689166 0.11493717 0.38241842 1\n C C6 1 1.12560002 0.32599796 0.62436608 1\n C C7 1 1.04589772 0.76748953 -0.00882282 1\n C C8 1 0.56534720 0.28534093 1.02768503 1\n C C9 1 0.43829570 0.15804296 0.77298852 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48119000\n_cell_length_b 3.68751000\n_cell_length_c 4.22211000\n_cell_angle_alpha 74.96073000\n_cell_angle_beta 89.95237000\n_cell_angle_gamma 70.35677000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97671985\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95993572 0.79726714 0.43733973 1\n C C1 1 0.28407613 0.15313595 0.73516014 1\n C C2 1 0.48010534 0.75643823 0.65885250 1\n C C3 1 0.70546381 0.31011039 0.86568547 1\n C C4 1 0.15892959 0.40043539 0.36104510 1\n C C5 1 0.73717212 0.24368099 0.23043216 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46522000\n_cell_length_b 3.37356000\n_cell_length_c 6.20582000\n_cell_angle_alpha 122.46752000\n_cell_angle_beta 78.86268000\n_cell_angle_gamma 111.15471000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.60961646\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51701276 0.88815310 0.31532649 1\n C C1 1 1.14056022 0.54017900 0.71492046 1\n C C2 1 0.55235085 0.23810846 0.58974527 1\n C C3 1 0.36578573 0.06201078 0.79125208 1\n C C4 1 0.95412625 0.36397627 0.91647434 1\n C C5 1 -0.00798341 0.71470989 0.19086746 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48100000\n_cell_length_b 4.61561000\n_cell_length_c 3.44666000\n_cell_angle_alpha 90.08532000\n_cell_angle_beta 94.76675000\n_cell_angle_gamma 68.41298000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.28972020\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83260756 0.44721237 0.67446648 1\n C C1 1 0.23286684 0.92704789 0.35922728 1\n C C2 1 0.63411469 0.27994741 -0.04033447 1\n C C3 1 0.17675477 0.43712994 0.01691609 1\n C C4 1 0.57816498 0.79105165 0.61377381 1\n C C5 1 0.07488479 0.76466617 0.09997832 1\n C C6 1 0.97680665 0.27041871 0.30177156 1\n C C7 1 0.73836482 0.95327177 -0.12976626 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53353000\n_cell_length_b 5.05470000\n_cell_length_c 3.76683000\n_cell_angle_alpha 89.93104000\n_cell_angle_beta 89.91889000\n_cell_angle_gamma 90.12959000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.23869991\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32524675 0.79394615 0.42426858 1\n C C1 1 0.32503423 0.79369109 1.06796665 1\n C C2 1 0.32647534 0.60961667 0.74563863 1\n C C3 1 0.82558145 0.22974037 0.04553400 1\n C C4 1 0.82592775 0.23000031 0.44368733 1\n C C5 1 0.82609294 0.43913284 0.74475767 1\n C C6 1 1.32447015 1.07005172 0.93930785 1\n C C7 1 0.32462159 0.07032915 0.55089429 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45819000\n_cell_length_b 4.58711000\n_cell_length_c 7.65468000\n_cell_angle_alpha 75.80016000\n_cell_angle_beta 77.87227000\n_cell_angle_gamma 76.76261000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.36275081\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03613950 0.59793453 0.09004756 1\n C C1 1 0.54043746 0.14410607 0.68013876 1\n C C2 1 0.46416232 0.39265796 0.37001400 1\n C C3 1 0.21975187 0.25874887 0.05399255 1\n C C4 1 1.10355226 0.73885147 0.88454289 1\n C C5 1 0.70896784 0.59640471 0.81962806 1\n C C6 1 0.23080878 1.00420218 0.21700189 1\n C C7 1 -0.20787106 0.27539607 0.93388224 1\n C C8 1 0.01331681 0.15517326 0.37313009 1\n C C9 1 0.43427931 0.66265873 0.19811462 1\n C C10 1 0.42728200 0.46336918 0.56095667 1\n C C11 1 0.84276979 0.62906787 0.61173792 1\n C C12 1 -0.00647146 0.07332246 0.80234976 1\n C C13 1 0.80436449 0.95615903 0.54501899 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48322000\n_cell_length_b 3.74177000\n_cell_length_c 3.84478000\n_cell_angle_alpha 90.06198000\n_cell_angle_beta 90.00392000\n_cell_angle_gamma 90.02350000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.72428034\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76884848 0.18872358 0.08573492 1\n C C1 1 0.76899272 0.92073445 0.79074883 1\n C C2 1 0.26907737 0.42416947 0.49657765 1\n C C3 1 0.76891213 0.18845392 0.49634178 1\n C C4 1 0.26902257 0.42450077 0.08596603 1\n C C5 1 0.26895753 0.69217462 0.79106179 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48735000\n_cell_length_b 4.05963000\n_cell_length_c 4.69749000\n_cell_angle_alpha 105.94197000\n_cell_angle_beta 89.96890000\n_cell_angle_gamma 90.00118000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.60964305\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76231817 0.03139634 0.32025361 1\n C C1 1 0.76228376 1.03873912 0.97350123 1\n C C2 1 0.76226175 0.37200329 0.90346850 1\n C C3 1 0.26271882 0.60586228 0.55169798 1\n C C4 1 0.26234026 0.83757325 0.85871611 1\n C C5 1 0.76282974 0.37992364 0.55651416 1\n C C6 1 0.26229594 0.80672416 0.32572005 1\n C C7 1 0.26212796 0.57317923 0.01845546 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42700000\n_cell_length_b 4.23148000\n_cell_length_c 6.27781000\n_cell_angle_alpha 129.09414000\n_cell_angle_beta 112.77140000\n_cell_angle_gamma 89.99089000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.37446818\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75042241 0.82532539 0.44947860 1\n C C1 1 0.27029668 0.68819263 0.46978350 1\n C C2 1 0.68319646 0.69026659 0.88113792 1\n C C3 1 0.33186104 0.39927750 0.53068905 1\n C C4 1 0.33987016 0.82620534 0.03844958 1\n C C5 1 0.68987915 0.11477094 0.38869484 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.11194000\n_cell_length_b 3.40078000\n_cell_length_c 4.78702000\n_cell_angle_alpha 77.36989000\n_cell_angle_beta 44.08588000\n_cell_angle_gamma 78.52768000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.35973376\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.09202325 0.82680423 0.59386322 1\n C C1 1 0.34518330 0.15411816 0.78520483 1\n C C2 1 0.51795356 0.01910037 0.40234269 1\n C C3 1 0.74505383 0.20928456 0.73064801 1\n C C4 1 -0.00801264 0.79851990 1.14195687 1\n C C5 1 -0.00074130 0.53716903 0.92169806 1\n C C6 1 0.57235196 0.34719588 0.11305524 1\n C C7 1 0.09861854 0.56773598 0.37316667 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.57470000\n_cell_length_b 3.87883000\n_cell_length_c 4.24665000\n_cell_angle_alpha 87.23947000\n_cell_angle_beta 87.67449000\n_cell_angle_gamma 73.92604000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.29546499\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48424713 0.13409879 0.23737911 1\n C C1 1 0.47184651 0.57577286 0.67904822 1\n C C2 1 0.99220830 0.16163584 0.25959267 1\n C C3 1 0.26756260 0.00847108 0.10583211 1\n C C4 1 0.02368580 0.38573932 0.49191064 1\n C C5 1 0.23809859 0.77978133 0.87595175 1\n C C6 1 0.79120596 0.58711896 0.69077314 1\n C C7 1 0.77684151 1.03047872 0.13092403 1\n C C8 1 0.91381040 0.78983689 0.88859886 1\n C C9 1 0.34871170 0.37398600 0.48052977 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48130000\n_cell_length_b 4.21689000\n_cell_length_c 3.68918000\n_cell_angle_alpha 75.21690000\n_cell_angle_beta 109.64488000\n_cell_angle_gamma 90.05741000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99838862\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88092652 0.07169159 0.71408309 1\n C C1 1 0.08023523 0.14701338 1.11228278 1\n C C2 1 0.56111974 0.36918277 0.07374172 1\n C C3 1 0.76213580 0.44458692 0.47165998 1\n C C4 1 0.34061278 0.57535725 0.62888309 1\n C C5 1 0.30260733 0.94066200 0.55764734 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36454000\n_cell_length_b 3.36457000\n_cell_length_c 6.94127000\n_cell_angle_alpha 99.57018000\n_cell_angle_beta 112.04699000\n_cell_angle_gamma 83.34803000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.69451527\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85877635 1.18492747 0.09493155 1\n C C1 1 0.80972977 0.41419874 0.27617407 1\n C C2 1 0.12287708 0.30598534 0.48175798 1\n C C3 1 0.41324338 0.66378779 0.61259146 1\n C C4 1 0.49200835 0.73104067 0.27526123 1\n C C5 1 0.17609276 -0.13270905 0.09569112 1\n C C6 1 0.18555634 0.65312940 0.89216072 1\n C C7 1 0.48281281 0.94300519 0.47915641 1\n C C8 1 0.25516264 -0.06824672 0.75857316 1\n C C9 1 0.89598768 0.14618829 0.61269243 1\n C C10 1 0.77254877 0.45010988 0.75864912 1\n C C11 1 0.54525247 0.29124183 0.88957436 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49235000\n_cell_length_b 6.77607000\n_cell_length_c 6.12635000\n_cell_angle_alpha 88.04442000\n_cell_angle_beta 81.52232000\n_cell_angle_gamma 85.50854000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 101.99234185\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87598187 0.98700633 0.51142347 1\n C C1 1 0.47040741 0.65161190 0.55888954 1\n C C2 1 0.44805276 0.26783692 0.33459162 1\n C C3 1 -0.10029550 0.32811503 0.69021812 1\n C C4 1 0.80389576 0.95113555 0.28224005 1\n C C5 1 -0.06727107 0.55833493 0.66134097 1\n C C6 1 -0.23041305 0.80095341 0.95518465 1\n C C7 1 0.31829094 0.48509336 0.98586778 1\n C C8 1 0.36712605 0.89156476 0.61645867 1\n C C9 1 0.83471126 0.59158399 0.90023811 1\n C C10 1 0.91594667 0.21554969 0.48042629 1\n C C11 1 0.28107290 0.90961020 0.87077359 1\n C C12 1 -0.30893494 0.59847286 0.31432925 1\n C C13 1 0.35546205 0.29691207 0.83794807 1\n C C14 1 0.69390067 0.12508686 0.14181147 1\n C C15 1 0.72911400 0.78628837 0.19453543 1\n C C16 1 1.26277211 0.11789083 -0.01228795 1\n C C17 1 0.27491012 0.47861393 0.24233767 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42762000\n_cell_length_b 4.22819000\n_cell_length_c 4.87854000\n_cell_angle_alpha 92.70827000\n_cell_angle_beta 119.86280000\n_cell_angle_gamma 89.97720000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.36249396\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31242939 0.74379058 0.55589002 1\n C C1 1 0.30529846 0.66094629 1.04910667 1\n C C2 1 -0.10459233 0.25094070 0.63866632 1\n C C3 1 0.95565446 0.60081780 0.69908198 1\n C C4 1 -0.03794530 0.68376905 0.20597014 1\n C C5 1 0.37341592 0.09406568 0.61655598 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.54610000\n_cell_length_b 3.54692000\n_cell_length_c 5.62542000\n_cell_angle_alpha 94.50991000\n_cell_angle_beta 85.46643000\n_cell_angle_gamma 60.59445000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.88208879\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64054982 0.83437241 0.24841426 1\n C C1 1 0.76875723 0.14616429 0.37287363 1\n C C2 1 0.83347466 0.36728653 0.17109644 1\n C C3 1 -0.06183113 0.96086670 0.77432309 1\n C C4 1 0.58333542 0.31549749 0.97124365 1\n C C5 1 0.45788110 0.01748403 0.49655015 1\n C C6 1 0.37546740 0.75286837 0.87253305 1\n C C7 1 0.33463357 0.09736472 0.07134616 1\n C C8 1 -0.00936804 1.21041041 0.57390134 1\n C C9 1 0.72082358 0.71151914 0.67403313 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45705000\n_cell_length_b 3.66479000\n_cell_length_c 6.86673000\n_cell_angle_alpha 97.51265000\n_cell_angle_beta 110.93425000\n_cell_angle_gamma 109.59831000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.15178842\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70044695 0.28855417 1.00770034 1\n C C1 1 0.04459534 0.18750153 0.90226904 1\n C C2 1 0.72154467 0.29462101 0.52784059 1\n C C3 1 1.03408406 0.48687110 0.24383259 1\n C C4 1 0.74376849 0.73347977 0.33052979 1\n C C5 1 0.99717318 0.74317609 0.57869053 1\n C C6 1 0.02035663 0.18236048 0.38201022 1\n C C7 1 0.70695298 -0.01154625 0.66570680 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38181000\n_cell_length_b 4.08600000\n_cell_length_c 3.61405000\n_cell_angle_alpha 104.21085000\n_cell_angle_beta 104.08253000\n_cell_angle_gamma 99.82095000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.52579798\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76294670 0.55854350 0.53800924 1\n C C1 1 0.45935768 0.24710940 0.50293367 1\n C C2 1 0.45925021 0.24724116 0.88373405 1\n C C3 1 0.26625031 0.05615467 0.09692831 1\n C C4 1 -0.04398111 0.74956574 -0.05596776 1\n C C5 1 0.76263741 0.55831753 0.15686870 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.27801000\n_cell_length_b 4.95788000\n_cell_length_c 4.28378000\n_cell_angle_alpha 106.14579000\n_cell_angle_beta 117.83319000\n_cell_angle_gamma 105.59311000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.15097995\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51434196 0.61029003 0.43272986 1\n C C1 1 0.46825756 0.55773486 0.04750846 1\n C C2 1 0.75235431 0.46394249 0.67039476 1\n C C3 1 0.13809314 0.51806851 0.71737498 1\n C C4 1 0.85393182 0.61151271 0.09452705 1\n C C5 1 0.92078103 1.11702375 1.08025753 1\n C C6 1 0.68510599 0.95780760 0.68440526 1\n C C7 1 0.50086453 0.11647106 0.49958422 1\n C C8 1 0.09164224 0.46485433 0.33187670 1\n C C9 1 0.10535793 0.95861226 0.26525527 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.83285000\n_cell_length_b 4.88361000\n_cell_length_c 3.67147000\n_cell_angle_alpha 103.04614000\n_cell_angle_beta 112.05789000\n_cell_angle_gamma 109.18404000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.55589780\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91282947 0.87598322 0.72600926 1\n C C1 1 0.39230756 0.38301328 0.27082168 1\n C C2 1 0.03902211 0.73309945 1.03997573 1\n C C3 1 0.57369490 0.22537802 0.41631333 1\n C C4 1 0.88317249 0.38184252 0.79114304 1\n C C5 1 0.54245396 0.73081124 0.47954358 1\n C C6 1 0.41708266 0.87328551 0.16445323 1\n C C7 1 0.06428079 0.22402439 0.93613927 1\n C C8 1 0.08517621 0.80555431 0.47823101 1\n C C9 1 0.37075435 0.80337237 0.72697386 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48418000\n_cell_length_b 4.15879000\n_cell_length_c 6.95678000\n_cell_angle_alpha 89.98902000\n_cell_angle_beta 110.91204000\n_cell_angle_gamma 90.00712000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.13753555\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76768539 0.90717904 0.86831784 1\n C C1 1 0.55175690 0.60117957 0.15464259 1\n C C2 1 0.22703328 0.40691650 0.83050561 1\n C C3 1 0.70978679 -0.12311414 0.31069419 1\n C C4 1 0.20518265 0.10115814 0.30617156 1\n C C5 1 0.33225981 0.72888535 0.93356773 1\n C C6 1 0.99282395 0.40722345 0.59310630 1\n C C7 1 0.53153094 0.90735472 0.63043024 1\n C C8 1 0.93930060 0.75498228 0.53803032 1\n C C9 1 0.04745682 0.37696722 0.15042828 1\n C C10 1 0.42767013 0.22918859 0.52715095 1\n C C11 1 0.81987613 0.25478869 0.92352860 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.94281000\n_cell_length_b 4.77562000\n_cell_length_c 5.02807000\n_cell_angle_alpha 81.49401000\n_cell_angle_beta 80.02454000\n_cell_angle_gamma 86.73627000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.17075291\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89888666 0.20762031 0.23303780 1\n C C1 1 0.73827003 0.96532695 0.30730961 1\n C C2 1 0.45437545 0.46237916 0.04941116 1\n C C3 1 0.36931495 0.99298519 0.90307163 1\n C C4 1 0.36882783 -0.00705151 0.40355598 1\n C C5 1 0.18215832 0.70972537 0.49442501 1\n C C6 1 0.69486259 0.46761660 0.27635594 1\n C C7 1 0.45472948 0.46258098 0.54854987 1\n C C8 1 0.89903704 0.20701109 0.73482870 1\n C C9 1 -0.05851649 0.70514796 0.26529398 1\n C C10 1 -0.05841492 0.70448901 0.76667738 1\n C C11 1 0.26920147 0.17872152 0.13957461 1\n C C12 1 0.26953822 0.17876485 0.63961681 1\n C C13 1 0.73859164 0.96466654 0.80960729 1\n C C14 1 0.69492776 0.46709933 0.77732244 1\n C C15 1 0.18288427 0.70958216 0.99352958 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46273000\n_cell_length_b 6.31055000\n_cell_length_c 5.55409000\n_cell_angle_alpha 101.30602000\n_cell_angle_beta 116.34265000\n_cell_angle_gamma 101.24278000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.84192077\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88663131 0.30233770 0.60435211 1\n C C1 1 -0.05501715 0.70485034 0.46146825 1\n C C2 1 0.80457570 0.16940409 0.08936849 1\n C C3 1 0.03293700 0.94686054 0.42818095 1\n C C4 1 0.53499503 0.43787341 0.68498310 1\n C C5 1 0.67367123 0.93210264 0.07686809 1\n C C6 1 0.58777617 0.67203205 0.62044046 1\n C C7 1 0.69840127 1.07371486 0.53001339 1\n C C8 1 0.40188094 0.28399486 0.12959000 1\n C C9 1 0.92495768 0.57336915 1.00800519 1\n C C10 1 0.55392568 0.53152879 0.15794077 1\n C C11 1 0.98198235 0.80111307 0.95093130 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42878000\n_cell_length_b 2.42887000\n_cell_length_c 8.69944000\n_cell_angle_alpha 82.66104000\n_cell_angle_beta 106.44173000\n_cell_angle_gamma 119.99597000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.62259966\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12543255 0.46265597 1.11576143 1\n C C1 1 0.14439939 0.86145585 0.44875269 1\n C C2 1 0.78860651 0.46198824 0.78337811 1\n C C3 1 0.81190963 0.19470115 0.44964249 1\n C C4 1 1.12127610 0.12900299 0.78255857 1\n C C5 1 0.79300922 0.79623620 0.11663631 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48273000\n_cell_length_b 3.84321000\n_cell_length_c 3.74727000\n_cell_angle_alpha 89.97262000\n_cell_angle_beta 90.00536000\n_cell_angle_gamma 89.98864000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.75514421\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71962188 -0.02283582 0.64189753 1\n C C1 1 0.21952859 0.97742487 0.40610881 1\n C C2 1 0.21965536 0.68237494 0.13853434 1\n C C3 1 0.71964783 0.68214267 0.90986263 1\n C C4 1 0.21976581 0.38772771 0.40648760 1\n C C5 1 0.71983663 0.38745442 0.64219168 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44578000\n_cell_length_b 6.22897000\n_cell_length_c 6.84714000\n_cell_angle_alpha 119.57970000\n_cell_angle_beta 114.69353000\n_cell_angle_gamma 93.75921000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.39362053\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67087986 0.55105800 0.67948208 1\n C C1 1 0.22230129 0.99866100 0.23019480 1\n C C2 1 0.67738434 0.80562830 0.70867112 1\n C C3 1 0.30204147 0.75358839 0.43436249 1\n C C4 1 0.23356024 0.37938257 0.05765771 1\n C C5 1 0.52620335 0.23493718 -0.08648329 1\n C C6 1 0.37629433 -0.03976339 -0.13673871 1\n C C7 1 1.15003313 0.18258314 0.63876433 1\n C C8 1 0.45167199 1.02742391 0.48417101 1\n C C9 1 0.59474993 0.60943447 0.29028973 1\n C C10 1 0.15294491 0.43654293 0.66648643 1\n C C11 1 0.60612097 -0.01255751 0.11645779 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48987000\n_cell_length_b 3.93745000\n_cell_length_c 5.94857000\n_cell_angle_alpha 82.38742000\n_cell_angle_beta 77.92766000\n_cell_angle_gamma 89.98530000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.50318386\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76778645 0.36446661 0.22496743 1\n C C1 1 0.22100179 0.50785445 0.31683497 1\n C C2 1 0.47916595 0.80776334 0.79464942 1\n C C3 1 -0.11491100 0.27120355 -0.01502118 1\n C C4 1 0.24901182 0.87429629 0.26360864 1\n C C5 1 0.08720578 0.34836455 0.58367467 1\n C C6 1 0.98377045 0.57297937 0.78530867 1\n C C7 1 0.37971002 0.03150075 -0.00330543 1\n C C8 1 0.58150159 0.11012390 0.59493135 1\n C C9 1 0.70384236 1.01861278 0.35440857 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48710000\n_cell_length_b 4.06421000\n_cell_length_c 5.29578000\n_cell_angle_alpha 121.56154000\n_cell_angle_beta 90.03310000\n_cell_angle_gamma 90.02294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.61195574\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78974292 0.25566106 0.83489172 1\n C C1 1 0.78952826 0.68182376 0.05955650 1\n C C2 1 0.28967399 1.02567955 0.82976845 1\n C C3 1 0.28951522 0.67067481 0.48210702 1\n C C4 1 0.28954783 0.91223663 0.06467151 1\n C C5 1 -0.21024051 0.18117313 0.52707009 1\n C C6 1 0.78945919 0.75743950 0.36755059 1\n C C7 1 0.28971170 0.26842466 0.41278191 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46827000\n_cell_length_b 5.92306000\n_cell_length_c 7.63140000\n_cell_angle_alpha 86.05185000\n_cell_angle_beta 82.13987000\n_cell_angle_gamma 110.17161000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 102.93117022\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26350305 0.50989156 0.17457798 1\n C C1 1 0.27259443 0.73320731 0.24472691 1\n C C2 1 0.26338373 1.04177005 0.71085596 1\n C C3 1 0.69878904 0.40778978 0.46023841 1\n C C4 1 0.82360389 0.31221809 0.94044756 1\n C C5 1 0.62540310 0.05860122 0.00143471 1\n C C6 1 0.89819584 0.69834693 0.90322316 1\n C C7 1 0.67226606 0.90872258 0.65676450 1\n C C8 1 -0.02616316 0.06589114 0.30984946 1\n C C9 1 1.08535439 0.96161397 0.91793698 1\n C C10 1 0.08969940 0.41027512 0.75047417 1\n C C11 1 0.05357024 0.69142833 0.43392967 1\n C C12 1 0.47411671 -0.00286124 0.20230621 1\n C C13 1 0.69016959 0.84385248 0.47278765 1\n C C14 1 0.15029493 0.33191271 0.35448434 1\n C C15 1 0.78075325 0.49550082 0.05346639 1\n C C16 1 0.40099747 0.67177431 0.78751331 1\n C C17 1 0.53222864 0.31611222 0.65941413 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.14881000\n_cell_length_b 3.28447000\n_cell_length_c 4.14808000\n_cell_angle_alpha 102.75883000\n_cell_angle_beta 110.74650000\n_cell_angle_gamma 102.75951000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.70322089\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.09392956 0.87161223 0.50838260 1\n C C1 1 0.08051506 0.21119378 0.37086833 1\n C C2 1 0.39068203 0.55582825 0.68078331 1\n C C3 1 0.56676925 0.89624417 0.54473843 1\n C C4 1 0.90401810 0.49325091 0.19340493 1\n C C5 1 0.21788986 0.87200716 0.19582217 1\n C C6 1 0.56879891 0.27458091 0.85863815 1\n C C7 1 0.25506096 0.89657428 0.85715228 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34989000\n_cell_length_b 3.40897000\n_cell_length_c 4.57967000\n_cell_angle_alpha 89.14567000\n_cell_angle_beta 111.51774000\n_cell_angle_gamma 92.08300000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.62113892\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71533460 0.86406979 0.10437238 1\n C C1 1 0.74885801 0.37518168 0.49941345 1\n C C2 1 0.07508664 0.56686912 0.78431984 1\n C C3 1 0.41371408 0.04223041 0.49909341 1\n C C4 1 0.97344328 0.20904162 0.28472676 1\n C C5 1 0.48578048 0.70872282 0.30968486 1\n C C6 1 0.05092949 0.55551586 0.10381033 1\n C C7 1 0.37291142 0.85478219 0.78425886 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47039000\n_cell_length_b 3.36407000\n_cell_length_c 5.96596000\n_cell_angle_alpha 59.79431000\n_cell_angle_beta 77.93605000\n_cell_angle_gamma 68.34183000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.80688466\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76649108 0.40767773 -0.15081010 1\n C C1 1 0.96247734 0.21810251 0.64171953 1\n C C2 1 0.33672714 0.86705275 0.24354505 1\n C C3 1 -0.19396958 0.05046434 0.12260801 1\n C C4 1 0.18308631 0.69891466 0.72457098 1\n C C5 1 0.37897511 0.50935002 0.51694403 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43924000\n_cell_length_b 4.22585000\n_cell_length_c 6.52738000\n_cell_angle_alpha 90.16110000\n_cell_angle_beta 100.80363000\n_cell_angle_gamma 90.00338000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.09048983\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22099451 0.29867574 0.27637537 1\n C C1 1 0.54554197 0.80068545 0.95045711 1\n C C2 1 0.26168139 0.95958022 0.34308921 1\n C C3 1 0.09053390 0.29742746 1.02886151 1\n C C4 1 1.05107295 0.95785584 -0.03763209 1\n C C5 1 0.76862442 -0.19732295 0.35747735 1\n C C6 1 0.43260297 0.40469648 0.70513494 1\n C C7 1 0.88064846 0.40510475 0.60132755 1\n C C8 1 0.54317574 0.44959889 0.93541222 1\n C C9 1 0.76941669 0.45132252 0.37071534 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48148000\n_cell_length_b 3.69110000\n_cell_length_c 6.27687000\n_cell_angle_alpha 40.50458000\n_cell_angle_beta 78.58813000\n_cell_angle_gamma 70.30998000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99807691\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40270700 0.60937048 0.71890560 1\n C C1 1 0.94886125 0.01778037 0.22305290 1\n C C2 1 0.37021425 1.04395296 0.35379380 1\n C C3 1 0.62588784 -0.04282159 0.92533149 1\n C C4 1 0.14539419 0.69605222 0.14716963 1\n C C5 1 0.82450466 0.63496456 -0.15026022 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37698000\n_cell_length_b 4.08088000\n_cell_length_c 3.79203000\n_cell_angle_alpha 108.55993000\n_cell_angle_beta 107.02304000\n_cell_angle_gamma 100.25145000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.20076883\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69297533 0.91305424 0.38212155 1\n C C1 1 0.57842922 0.26099910 0.59936685 1\n C C2 1 0.06328978 0.78256611 0.57163632 1\n C C3 1 0.80156598 0.97147957 1.05693661 1\n C C4 1 0.23522272 0.62544302 0.23499556 1\n C C5 1 0.25898294 0.25874049 0.20371520 1\n C C6 1 0.91566179 0.62322963 0.83947112 1\n C C7 1 0.43060404 0.10085944 0.86703078 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48186000\n_cell_length_b 3.68987000\n_cell_length_c 4.84428000\n_cell_angle_alpha 57.38939000\n_cell_angle_beta 75.10459000\n_cell_angle_gamma 70.32021000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02620551\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07044685 0.08274870 0.03035465 1\n C C1 1 0.35133208 0.37023720 0.89947678 1\n C C2 1 0.60781711 0.42662137 0.32781369 1\n C C3 1 0.80448028 -0.04626999 0.40330478 1\n C C4 1 0.12735795 0.60931700 0.10616705 1\n C C5 1 0.38294523 0.66601742 0.53429775 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52741000\n_cell_length_b 4.29669000\n_cell_length_c 5.07875000\n_cell_angle_alpha 59.58828000\n_cell_angle_beta 83.42166000\n_cell_angle_gamma 94.87591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.58830041\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58924435 0.50074406 0.68121066 1\n C C1 1 0.78449777 0.82707777 0.70773986 1\n C C2 1 0.53434493 0.63040389 0.35901533 1\n C C3 1 0.50028524 1.03315382 0.22919594 1\n C C4 1 0.44201718 0.16229601 0.90747906 1\n C C5 1 0.96683034 0.12914376 0.34885398 1\n C C6 1 1.06775202 0.53370090 0.23973056 1\n C C7 1 0.24788697 0.83568838 -0.11880228 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48584000\n_cell_length_b 3.45173000\n_cell_length_c 5.85164000\n_cell_angle_alpha 96.95024000\n_cell_angle_beta 116.94652000\n_cell_angle_gamma 91.88776000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.99527677\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24619629 0.13288619 0.43975421 1\n C C1 1 0.28539851 0.75715231 0.28159981 1\n C C2 1 0.15545216 0.76987530 1.00270067 1\n C C3 1 0.70152220 0.33047331 0.59130842 1\n C C4 1 0.03098774 1.01216783 0.60069890 1\n C C5 1 0.67249658 0.28814824 0.00275648 1\n C C6 1 0.96484167 0.43696658 0.28156786 1\n C C7 1 0.74734118 0.63521352 0.43838825 1\n C C8 1 0.80986362 0.48662698 0.85611010 1\n C C9 1 0.32156846 0.00183734 0.88356070 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68348000\n_cell_length_b 4.83015000\n_cell_length_c 3.63366000\n_cell_angle_alpha 112.14258000\n_cell_angle_beta 103.01446000\n_cell_angle_gamma 120.56805000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.95459390\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47838651 0.41905738 0.57144428 1\n C C1 1 0.47884774 0.22755584 0.78560103 1\n C C2 1 0.47680364 0.72676324 0.22548803 1\n C C3 1 0.47763963 0.41938786 0.19212093 1\n C C4 1 0.47654861 0.72745554 0.84647662 1\n C C5 1 0.47586036 0.91874173 0.63214071 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45897000\n_cell_length_b 5.43142000\n_cell_length_c 6.25634000\n_cell_angle_alpha 106.06200000\n_cell_angle_beta 88.66068000\n_cell_angle_gamma 84.93496000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.88260125\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83289439 0.44183140 0.70870465 1\n C C1 1 0.83725812 0.69458839 0.11440494 1\n C C2 1 0.80082360 0.69917288 0.36560741 1\n C C3 1 0.34416926 0.27250157 0.36676825 1\n C C4 1 0.31694835 0.56564547 0.42465697 1\n C C5 1 0.90356888 0.40883127 0.94301845 1\n C C6 1 0.67838924 -0.01630143 0.77358519 1\n C C7 1 0.46416136 0.24281828 -0.04374857 1\n C C8 1 0.23088114 0.84166355 0.82149226 1\n C C9 1 0.29795092 0.58520203 0.67275198 1\n C C10 1 0.77759558 0.96774329 0.53477779 1\n C C11 1 0.37220296 0.12525215 0.14147974 1\n C C12 1 0.84950574 0.21396105 0.49510859 1\n C C13 1 0.30777736 0.83943360 0.06161134 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43264000\n_cell_length_b 3.11645000\n_cell_length_c 6.41708000\n_cell_angle_alpha 71.06940000\n_cell_angle_beta 78.98299000\n_cell_angle_gamma 72.42757000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.63577431\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87773132 0.41556028 0.11236800 1\n C C1 1 0.21157424 0.41339467 0.44644110 1\n C C2 1 0.43492772 0.41256224 0.00145943 1\n C C3 1 0.76842330 0.41247433 0.33463459 1\n C C4 1 0.54521564 0.41370429 0.77948960 1\n C C5 1 0.10259878 0.41029829 0.66862138 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43540000\n_cell_length_b 5.43674000\n_cell_length_c 5.78292000\n_cell_angle_alpha 68.41261000\n_cell_angle_beta 77.81470000\n_cell_angle_gamma 90.19235000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.31764178\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47616632 0.81647502 0.14539297 1\n C C1 1 0.94142704 0.33575634 0.21164930 1\n C C2 1 0.77277698 0.61392163 0.55658457 1\n C C3 1 0.39384861 0.38891765 0.30649750 1\n C C4 1 0.34645668 0.60802046 0.40944138 1\n C C5 1 0.06722497 0.34793362 -0.04574518 1\n C C6 1 0.72035822 0.83269088 0.66002287 1\n C C7 1 0.63446034 0.40519551 0.82094684 1\n C C8 1 0.04322071 0.87366402 0.01214276 1\n C C9 1 0.17380152 0.88616466 0.75453919 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51032000\n_cell_length_b 4.72912000\n_cell_length_c 6.40717000\n_cell_angle_alpha 83.76187000\n_cell_angle_beta 78.62706000\n_cell_angle_gamma 74.53249000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.74239784\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35959360 1.07436420 0.56159475 1\n C C1 1 1.30241047 0.96966304 0.77056316 1\n C C2 1 0.54563102 0.87684599 0.38646980 1\n C C3 1 0.83991536 0.47898805 0.19668222 1\n C C4 1 0.10020661 0.91513974 0.24107264 1\n C C5 1 0.03744369 0.49152233 0.78623799 1\n C C6 1 0.19822666 0.41417140 0.54689949 1\n C C7 1 0.30027605 0.64416440 0.10847064 1\n C C8 1 0.41500784 0.66024881 0.85911321 1\n C C9 1 0.69435238 0.53637213 0.43260681 1\n C C10 1 0.12496278 0.20015226 0.90183704 1\n C C11 1 0.02706574 0.18850084 0.11659806 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49102000\n_cell_length_b 4.35640000\n_cell_length_c 5.36240000\n_cell_angle_alpha 138.21753000\n_cell_angle_beta 89.98795000\n_cell_angle_gamma 106.64813000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01081364\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39712415 0.36850043 0.40120328 1\n C C1 1 0.31510568 0.20450312 0.03096211 1\n C C2 1 0.02799296 0.62866952 0.66077502 1\n C C3 1 0.92228325 0.41737454 0.03147522 1\n C C4 1 0.84069862 0.25339774 0.66132888 1\n C C5 1 0.21042134 -0.00660006 0.40190197 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48833000\n_cell_length_b 4.30492000\n_cell_length_c 4.97391000\n_cell_angle_alpha 73.19706000\n_cell_angle_beta 120.03874000\n_cell_angle_gamma 106.81294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47846390\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78658262 0.60098291 -0.06671678 1\n C C1 1 0.78675332 0.60088158 0.43331152 1\n C C2 1 0.91113219 0.97580742 0.37056917 1\n C C3 1 0.91096150 0.97590876 0.87054087 1\n C C4 1 0.28649448 0.10094830 0.68329204 1\n C C5 1 0.41109919 0.47587311 0.12055932 1\n C C6 1 0.28661562 0.10091722 0.18329308 1\n C C7 1 0.41122033 0.47584203 0.62056035 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48171000\n_cell_length_b 3.69019000\n_cell_length_c 4.84503000\n_cell_angle_alpha 57.33927000\n_cell_angle_beta 75.09853000\n_cell_angle_gamma 70.31606000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01260930\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.09640187 0.67790361 0.24252813 1\n C C1 1 0.51815463 -0.03451892 0.11165461 1\n C C2 1 0.55023168 0.26043118 0.74665655 1\n C C3 1 -0.02817910 0.54813497 0.61564771 1\n C C4 1 0.29421168 0.20435746 0.31837476 1\n C C5 1 0.77471795 1.02146620 0.54021164 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37477000\n_cell_length_b 4.07905000\n_cell_length_c 4.27385000\n_cell_angle_alpha 115.01104000\n_cell_angle_beta 121.99159000\n_cell_angle_gamma 79.73653000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.13842581\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76588939 0.73136702 0.32013878 1\n C C1 1 0.18172610 0.57235271 0.58837851 1\n C C2 1 0.74590988 0.09630102 0.95638368 1\n C C3 1 0.00104265 0.44178112 0.77782466 1\n C C4 1 0.43471508 0.38334620 0.10291728 1\n C C5 1 0.69027584 0.72920895 0.92484251 1\n C C6 1 0.25424179 0.25451378 0.29321086 1\n C C7 1 0.66931917 0.09410522 0.56056072 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45597000\n_cell_length_b 4.76813000\n_cell_length_c 8.72565000\n_cell_angle_alpha 113.88992000\n_cell_angle_beta 100.54976000\n_cell_angle_gamma 93.53712000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.79223495\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50432317 0.40782674 0.15092009 1\n C C1 1 0.90186406 0.92999142 0.93485599 1\n C C2 1 0.47728161 0.15397520 0.98266182 1\n C C3 1 0.81780840 0.93071077 0.63761374 1\n C C4 1 0.22328960 0.83988675 0.51711924 1\n C C5 1 0.82199299 0.43693586 0.65121905 1\n C C6 1 0.42176770 0.71120953 0.12920394 1\n C C7 1 1.12654127 1.01824982 0.40820137 1\n C C8 1 0.16290294 0.49618328 0.41729166 1\n C C9 1 -0.06037579 0.26977160 0.76117861 1\n C C10 1 0.23473377 0.34912458 0.53832787 1\n C C11 1 -0.14950018 0.76619027 0.74763652 1\n C C12 1 0.57703792 0.35444928 0.30660054 1\n C C13 1 0.53948662 0.34603935 0.87477193 1\n C C14 1 0.54740100 1.00158334 0.29964785 1\n C C15 1 0.83268540 0.68956232 1.01605128 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31824000\n_cell_length_b 3.51825000\n_cell_length_c 3.51751000\n_cell_angle_alpha 59.93568000\n_cell_angle_beta 90.00271000\n_cell_angle_gamma 89.99717000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54009761\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46849794 0.90969174 0.90729877 1\n C C1 1 0.80108879 0.90981938 0.21167372 1\n C C2 1 0.13574987 0.21382473 0.90753499 1\n C C3 1 0.30104032 0.44599335 0.13898645 1\n C C4 1 0.63580977 0.14155044 0.44353202 1\n C C5 1 0.96848250 0.44586426 0.44349695 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48135000\n_cell_length_b 3.68776000\n_cell_length_c 4.21986000\n_cell_angle_alpha 104.95891000\n_cell_angle_beta 89.96405000\n_cell_angle_gamma 109.63639000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97850094\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58359845 0.17196995 0.39941461 1\n C C1 1 0.46094342 0.92593773 0.02544482 1\n C C2 1 0.03973202 0.08331262 0.89512639 1\n C C3 1 0.00552598 1.01544965 0.53016411 1\n C C4 1 -0.21575946 0.56949088 0.32364463 1\n C C5 1 1.26411569 0.52915187 0.10180744 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43072000\n_cell_length_b 5.66136000\n_cell_length_c 4.20486000\n_cell_angle_alpha 85.32946000\n_cell_angle_beta 89.77983000\n_cell_angle_gamma 98.09830000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.08970841\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68866133 0.90248978 1.06042465 1\n C C1 1 0.68842655 0.90357240 0.39310583 1\n C C2 1 0.36169283 0.39453431 0.84343784 1\n C C3 1 0.86171195 0.39453800 0.34338632 1\n C C4 1 0.86144390 0.39568055 0.67618230 1\n C C5 1 0.18841021 0.90357634 0.89316510 1\n C C6 1 0.18862686 0.90249334 0.56038327 1\n C C7 1 0.36141057 0.39567489 0.17616619 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45609000\n_cell_length_b 3.66343000\n_cell_length_c 6.43512000\n_cell_angle_alpha 96.70985000\n_cell_angle_beta 79.01192000\n_cell_angle_gamma 70.45147000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.53264460\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20131300 1.01645423 0.21291354 1\n C C1 1 0.19187984 0.51505297 0.73241128 1\n C C2 1 -0.22568222 0.49813734 0.58583788 1\n C C3 1 0.76832057 0.98949380 0.10575469 1\n C C4 1 0.36773028 0.11067346 0.78170829 1\n C C5 1 0.59389149 0.90347246 0.53831534 1\n C C6 1 1.05409547 0.06985102 0.45057836 1\n C C7 1 0.90754676 0.94287593 0.86855162 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52157000\n_cell_length_b 4.96837000\n_cell_length_c 5.97380000\n_cell_angle_alpha 59.49365000\n_cell_angle_beta 76.48147000\n_cell_angle_gamma 71.89766000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.02409820\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03589668 0.12671708 0.48132815 1\n C C1 1 1.14010731 0.90374574 0.73228553 1\n C C2 1 0.30033509 -0.02209036 0.30591609 1\n C C3 1 0.45934741 0.62855457 0.49364373 1\n C C4 1 0.81861026 0.42540221 0.93970153 1\n C C5 1 0.86968425 0.06763726 0.12355668 1\n C C6 1 0.64478068 0.61465819 0.09902102 1\n C C7 1 0.69588060 0.43490964 0.38008516 1\n C C8 1 0.34324124 0.56761473 0.76593234 1\n C C9 1 0.06169646 0.83993983 0.00449847 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50662000\n_cell_length_b 4.87522000\n_cell_length_c 6.05545000\n_cell_angle_alpha 85.14505000\n_cell_angle_beta 113.81433000\n_cell_angle_gamma 120.56837000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.60200910\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06688920 0.53151983 0.18092457 1\n C C1 1 0.30988295 0.05545798 0.30405529 1\n C C2 1 0.68501617 1.03235440 0.56958934 1\n C C3 1 0.57726160 0.32274882 0.93914681 1\n C C4 1 0.51763275 0.89870071 0.17179593 1\n C C5 1 0.57872328 0.42593843 0.31430475 1\n C C6 1 0.41192558 0.01354576 0.92945121 1\n C C7 1 0.13664233 0.88116398 0.66591599 1\n C C8 1 0.25537999 0.37819247 0.68640508 1\n C C9 1 0.82143664 0.52989782 0.59263343 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47416000\n_cell_length_b 4.27985000\n_cell_length_c 4.80260000\n_cell_angle_alpha 90.01147000\n_cell_angle_beta 121.00312000\n_cell_angle_gamma 89.98937000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.58972406\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19179489 0.12561916 0.00801726 1\n C C1 1 0.56520645 1.12547353 0.38198441 1\n C C2 1 0.69144362 0.79205502 0.50795313 1\n C C3 1 0.56516993 0.29217971 0.88197027 1\n C C4 1 0.19166304 0.29205950 0.50801242 1\n C C5 1 0.06495240 0.62546841 0.38190375 1\n C C6 1 0.69161187 0.62560784 1.00793956 1\n C C7 1 0.06502311 0.79218202 0.88192018 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.70425000\n_cell_length_b 4.18190000\n_cell_length_c 5.32150000\n_cell_angle_alpha 59.37738000\n_cell_angle_beta 64.38035000\n_cell_angle_gamma 59.42416000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.35024305\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81229688 0.92164506 0.55444482 1\n C C1 1 0.60076450 0.32673474 0.36300121 1\n C C2 1 0.19558042 0.53940031 0.55435570 1\n C C3 1 0.16024274 0.26806435 0.86160834 1\n C C4 1 0.75626121 0.48102992 0.05289551 1\n C C5 1 0.54360775 0.88585842 0.86148842 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.01793000\n_cell_length_b 4.20712000\n_cell_length_c 4.85108000\n_cell_angle_alpha 89.81677000\n_cell_angle_beta 74.28717000\n_cell_angle_gamma 72.20625000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.24206655\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62003096 0.95179818 0.34822652 1\n C C1 1 0.62000625 -0.04819686 0.84822939 1\n C C2 1 0.62313612 0.11789704 0.09754621 1\n C C3 1 0.62338424 0.61784385 0.84752450 1\n C C4 1 0.62348621 0.61781600 0.34750824 1\n C C5 1 0.62017503 0.45176526 0.59821976 1\n C C6 1 0.62009158 0.45178969 0.09823043 1\n C C7 1 0.62328581 0.11786095 0.59752884 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49441000\n_cell_length_b 4.13429000\n_cell_length_c 6.39955000\n_cell_angle_alpha 108.80019000\n_cell_angle_beta 101.24951000\n_cell_angle_gamma 89.99378000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.13459377\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94904609 0.67971639 0.21931471 1\n C C1 1 0.62641370 0.67646634 0.57441197 1\n C C2 1 0.39738756 1.12878207 0.11729554 1\n C C3 1 0.39696473 0.76424506 1.11666156 1\n C C4 1 0.28078297 0.51146506 0.87872596 1\n C C5 1 0.05657176 0.60793290 0.43608894 1\n C C6 1 0.70891593 1.04567821 0.73551117 1\n C C7 1 0.94970389 0.31594838 0.22042250 1\n C C8 1 0.70885908 0.46713617 0.73556979 1\n C C9 1 0.28093979 0.14417863 0.87884515 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48159000\n_cell_length_b 3.68879000\n_cell_length_c 4.21287000\n_cell_angle_alpha 104.63440000\n_cell_angle_beta 90.05419000\n_cell_angle_gamma 109.64665000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98503189\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53653037 0.60469432 0.99814978 1\n C C1 1 0.79326026 0.12182422 0.56962869 1\n C C2 1 0.56992831 0.67686028 0.36344696 1\n C C3 1 0.11469996 0.76129298 0.86699478 1\n C C4 1 0.31231732 0.15947688 0.79210408 1\n C C5 1 -0.00817231 0.51989292 0.49437752 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48131000\n_cell_length_b 3.68892000\n_cell_length_c 4.21676000\n_cell_angle_alpha 104.81623000\n_cell_angle_beta 89.95061000\n_cell_angle_gamma 109.63069000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99174114\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90937941 0.44281197 0.65721261 1\n C C1 1 0.42925872 0.48166318 -0.12023851 1\n C C2 1 0.68865533 0.99748688 0.45101127 1\n C C3 1 0.22855082 0.08378321 0.95513222 1\n C C4 1 0.11050952 0.84116434 0.58214624 1\n C C5 1 0.65000921 0.92655923 0.08593087 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42612000\n_cell_length_b 4.22758000\n_cell_length_c 4.22739000\n_cell_angle_alpha 92.21309000\n_cell_angle_beta 90.02257000\n_cell_angle_gamma 90.01990000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.32637095\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45896628 0.78185995 0.78477341 1\n C C1 1 0.45898802 0.43287383 0.72481945 1\n C C2 1 0.45892482 0.84339739 0.13433587 1\n C C3 1 0.95890165 0.27587977 0.70025530 1\n C C4 1 -0.04104610 0.92695677 0.64030325 1\n C C5 1 0.95901482 0.86585309 0.29101282 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44237000\n_cell_length_b 4.61722000\n_cell_length_c 6.37646000\n_cell_angle_alpha 95.25967000\n_cell_angle_beta 88.66276000\n_cell_angle_gamma 105.37640000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.04118214\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03853963 0.57647491 0.48133088 1\n C C1 1 0.43025582 0.49702044 0.35955151 1\n C C2 1 0.02737293 0.73441277 0.66685517 1\n C C3 1 0.28906577 1.28958021 0.88952152 1\n C C4 1 0.71773663 0.14312543 0.85567180 1\n C C5 1 0.45403757 0.60859371 -0.03325464 1\n C C6 1 0.53611684 0.70186431 0.17949549 1\n C C7 1 0.70127953 1.02122806 0.25840031 1\n C C8 1 0.55864123 -0.18594360 0.78840827 1\n C C9 1 0.27237871 0.16777296 0.29320899 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48499000\n_cell_length_b 4.08638000\n_cell_length_c 4.67862000\n_cell_angle_alpha 83.32660000\n_cell_angle_beta 105.41707000\n_cell_angle_gamma 90.00192000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.46606275\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46885211 0.64231894 0.34438525 1\n C C1 1 -0.03198289 0.41747537 0.34224862 1\n C C2 1 0.79780412 0.34876985 0.00089326 1\n C C3 1 1.08491825 0.11126854 0.57301695 1\n C C4 1 0.31008321 0.82327800 0.02946585 1\n C C5 1 0.73848577 0.70471237 0.88572867 1\n C C6 1 0.25513286 0.17877062 0.91461092 1\n C C7 1 0.58361727 -0.11541747 0.57098857 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.24058000\n_cell_length_b 3.62787000\n_cell_length_c 3.27836000\n_cell_angle_alpha 75.52429000\n_cell_angle_beta 130.49933000\n_cell_angle_gamma 90.11374000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.24267638\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90851014 0.13834052 0.58702335 1\n C C1 1 0.85364975 0.75651828 0.79962600 1\n C C2 1 0.12129310 0.37476010 1.01318591 1\n C C3 1 0.26977823 1.13874191 0.58711700 1\n C C4 1 0.48256119 0.37516150 1.01327957 1\n C C5 1 0.53742158 0.75698374 0.80067691 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50430000\n_cell_length_b 3.29781000\n_cell_length_c 7.49617000\n_cell_angle_alpha 60.18975000\n_cell_angle_beta 71.56505000\n_cell_angle_gamma 67.81949000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.10084783\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.20089031 1.04057213 0.49618935 1\n C C1 1 0.08502202 0.57912290 0.95782284 1\n C C2 1 0.90074118 0.52516285 0.65393118 1\n C C3 1 0.82794442 0.76378518 0.13089258 1\n C C4 1 0.64248633 0.71063681 0.82696930 1\n C C5 1 0.93200534 0.24729011 0.28888909 1\n C C6 1 0.54048562 0.24119933 0.65388382 1\n C C7 1 0.18965189 0.04718299 0.13089713 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35354000\n_cell_length_b 2.45421000\n_cell_length_c 8.09082000\n_cell_angle_alpha 107.63219000\n_cell_angle_beta 66.42404000\n_cell_angle_gamma 111.42196000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.84730536\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05605739 0.06080045 0.30467641 1\n C C1 1 -0.05439347 0.93986873 0.73718585 1\n C C2 1 0.54534299 0.51985972 1.01764623 1\n C C3 1 0.67563168 -0.00549901 0.92749209 1\n C C4 1 0.56538465 0.87184721 0.36036559 1\n C C5 1 0.31461492 0.33677295 0.45047198 1\n C C6 1 0.30683836 0.59640872 0.21420708 1\n C C7 1 0.07580616 0.41430303 0.64680367 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43674000\n_cell_length_b 4.86819000\n_cell_length_c 6.39358000\n_cell_angle_alpha 103.38271000\n_cell_angle_beta 100.54459000\n_cell_angle_gamma 117.14373000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.30612180\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73818352 0.07499900 -0.04400615 1\n C C1 1 0.20265779 0.70846682 0.12896302 1\n C C2 1 0.60191937 0.77385553 0.79302328 1\n C C3 1 0.67154971 0.33692190 0.29140914 1\n C C4 1 0.53844581 0.39206127 0.48169012 1\n C C5 1 -0.26315363 0.72082115 0.60303913 1\n C C6 1 0.98829074 0.66095913 0.29517921 1\n C C7 1 0.28326183 0.44922491 0.78816715 1\n C C8 1 0.53234865 0.03515949 0.12751954 1\n C C9 1 0.01468423 0.89096081 0.49501983 1\n C C10 1 0.25605317 0.22065767 0.58709780 1\n C C11 1 0.06772491 0.40151302 -0.04596767 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.95144000\n_cell_length_b 5.56998000\n_cell_length_c 4.20455000\n_cell_angle_alpha 53.78375000\n_cell_angle_beta 72.35971000\n_cell_angle_gamma 82.91170000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.96314027\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23235614 0.78378224 0.88085700 1\n C C1 1 0.22992148 0.78209859 0.54962473 1\n C C2 1 0.63230878 0.38363433 0.08100935 1\n C C3 1 0.43186185 0.58325610 0.48137186 1\n C C4 1 1.03200282 0.98330816 0.28129309 1\n C C5 1 0.62983871 0.38215325 0.74959587 1\n C C6 1 -0.16788225 0.18348244 0.68113853 1\n C C7 1 0.82970974 0.18171194 0.34995231 1\n C C8 1 0.02951032 0.98185080 0.94992849 1\n C C9 1 0.42938422 0.58162604 0.15010176 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44018000\n_cell_length_b 4.18638000\n_cell_length_c 6.73932000\n_cell_angle_alpha 68.39361000\n_cell_angle_beta 79.69205000\n_cell_angle_gamma 90.03120000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.80886241\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45832940 0.46392135 0.20904224 1\n C C1 1 0.98534942 -0.00886499 0.15892707 1\n C C2 1 0.10770929 1.15842498 0.91852244 1\n C C3 1 0.32300881 0.62034073 0.48938595 1\n C C4 1 0.66196241 0.26878489 0.81173398 1\n C C5 1 0.76910899 0.51080204 0.59642449 1\n C C6 1 -0.03558098 0.31305079 0.19860190 1\n C C7 1 0.44138006 0.78548870 0.24890113 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51411000\n_cell_length_b 3.51938000\n_cell_length_c 3.31794000\n_cell_angle_alpha 90.00361000\n_cell_angle_beta 89.98684000\n_cell_angle_gamma 59.98703000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53234565\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24473803 0.71471572 0.95544517 1\n C C1 1 0.17126970 0.25124959 0.45546527 1\n C C2 1 -0.06023401 1.01951789 0.28761147 1\n C C3 1 0.47561724 -0.05294128 0.78757026 1\n C C4 1 0.47596811 0.25132682 0.12098587 1\n C C5 1 0.93966523 0.71475697 0.62095526 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45796000\n_cell_length_b 7.51849000\n_cell_length_c 8.49900000\n_cell_angle_alpha 124.08789000\n_cell_angle_beta 73.16896000\n_cell_angle_gamma 90.08011000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 121.91274603\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40416959 0.52321765 0.44907819 1\n C C1 1 0.82798759 0.62366687 0.02967487 1\n C C2 1 0.60042584 0.60663064 0.75897780 1\n C C3 1 1.04487751 0.68457252 0.31192485 1\n C C4 1 0.49548595 0.27101926 0.86198087 1\n C C5 1 0.39627466 0.06351765 -0.04605888 1\n C C6 1 0.56924041 0.25104791 0.28140210 1\n C C7 1 0.43738325 0.70270563 0.41937195 1\n C C8 1 1.33358352 0.07182878 0.51812764 1\n C C9 1 0.79284982 0.11332508 0.05777783 1\n C C10 1 0.88336694 0.11773081 0.46766650 1\n C C11 1 0.23822840 0.94882298 0.61572875 1\n C C12 1 0.20922478 0.68233564 0.14841783 1\n C C13 1 0.60548051 0.02693883 0.74905117 1\n C C14 1 -0.03463352 0.24590618 0.38531031 1\n C C15 1 -0.19036953 0.50756300 0.54366587 1\n C C16 1 -0.05080464 0.37621090 0.90906802 1\n C C17 1 1.00721043 0.63192617 0.85241414 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42997000\n_cell_length_b 2.42992000\n_cell_length_c 8.71276000\n_cell_angle_alpha 97.26385000\n_cell_angle_beta 82.08672000\n_cell_angle_gamma 59.97677000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.95906585\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59521717 0.86699124 0.21793017 1\n C C1 1 0.22194585 0.89045706 -0.11481375 1\n C C2 1 0.53212398 0.60111222 0.55502957 1\n C C3 1 0.26099091 0.53466263 0.21868822 1\n C C4 1 0.88787587 0.55780886 0.88604888 1\n C C5 1 0.86658982 -0.06664231 0.55419471 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48099000\n_cell_length_b 3.68826000\n_cell_length_c 4.21885000\n_cell_angle_alpha 75.15628000\n_cell_angle_beta 89.94482000\n_cell_angle_gamma 70.37027000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99384910\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10903159 0.39166958 -0.00691629 1\n C C1 1 0.53085631 0.54794677 0.12424991 1\n C C2 1 0.64971809 0.30492779 0.49723947 1\n C C3 1 0.07120992 0.46214452 0.62804974 1\n C C4 1 0.33065691 0.94624196 0.19926960 1\n C C5 1 0.85051788 0.90708598 0.42181897 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42898000\n_cell_length_b 3.69331000\n_cell_length_c 6.68480000\n_cell_angle_alpha 73.04855000\n_cell_angle_beta 85.67149000\n_cell_angle_gamma 86.06612000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.13172590\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70293975 0.26087451 0.11218579 1\n C C1 1 0.20295123 0.76088917 0.36219620 1\n C C2 1 0.70314239 0.92794684 0.27899657 1\n C C3 1 0.20311960 0.42793362 1.02900596 1\n C C4 1 0.20312604 0.42796287 0.52901866 1\n C C5 1 0.70293938 0.26089435 0.61220623 1\n C C6 1 0.20294214 0.76087009 0.86220616 1\n C C7 1 0.70313137 -0.07205575 0.77902014 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30660000\n_cell_length_b 3.64111000\n_cell_length_c 4.18498000\n_cell_angle_alpha 62.16608000\n_cell_angle_beta 100.90483000\n_cell_angle_gamma 92.30980000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.68493367\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10500319 0.89858100 0.25572850 1\n C C1 1 -0.08696910 0.68502088 1.06272131 1\n C C2 1 0.41214982 0.62480317 0.56319364 1\n C C3 1 1.10480037 0.27904229 0.25559113 1\n C C4 1 0.41235264 0.24434188 0.56333101 1\n C C5 1 0.60412211 0.83836328 0.75620082 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46873000\n_cell_length_b 3.78439000\n_cell_length_c 5.68828000\n_cell_angle_alpha 90.04793000\n_cell_angle_beta 115.96659000\n_cell_angle_gamma 90.00802000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.77864584\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74522827 0.72857872 0.71517143 1\n C C1 1 0.61705284 0.92263321 0.08247400 1\n C C2 1 0.40740690 0.22226444 0.87526080 1\n C C3 1 0.47332183 0.60798321 0.44026500 1\n C C4 1 0.40670746 0.62309672 0.87486458 1\n C C5 1 0.29203393 0.92200501 0.25509976 1\n C C6 1 0.74585602 0.11613588 0.71550730 1\n C C7 1 0.47391514 0.23536461 0.44069283 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45634000\n_cell_length_b 4.41480000\n_cell_length_c 6.42764000\n_cell_angle_alpha 83.85572000\n_cell_angle_beta 101.01863000\n_cell_angle_gamma 74.09968000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 64.85551909\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.37151532 0.99123933 0.17785701 1\n C C1 1 0.44069712 0.49335031 0.30241094 1\n C C2 1 0.36586669 0.06301106 0.72437849 1\n C C3 1 0.92084057 1.06811989 0.83845303 1\n C C4 1 1.03143710 0.06019585 1.05155766 1\n C C5 1 0.65324049 0.14357452 0.38486597 1\n C C6 1 -0.15268677 0.64140505 0.26134601 1\n C C7 1 0.25164662 1.07310330 0.51107419 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48441000\n_cell_length_b 3.82435000\n_cell_length_c 5.98329000\n_cell_angle_alpha 59.63502000\n_cell_angle_beta 77.97026000\n_cell_angle_gamma 71.01684000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31531363\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75970097 0.45071845 0.83249623 1\n C C1 1 0.21152434 0.37992599 0.99754829 1\n C C2 1 0.58246245 0.96339435 0.66976393 1\n C C3 1 -0.02898406 1.07944568 0.77594909 1\n C C4 1 0.46123024 0.65559750 0.21977121 1\n C C5 1 0.63490238 0.14302397 0.38310804 1\n C C6 1 0.24664245 0.02641363 0.27704454 1\n C C7 1 0.00916972 0.72615882 0.05487467 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43742000\n_cell_length_b 4.86162000\n_cell_length_c 9.13301000\n_cell_angle_alpha 70.87911000\n_cell_angle_beta 89.93240000\n_cell_angle_gamma 59.83966000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.62433733\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02447365 0.23204069 0.25182807 1\n C C1 1 0.40604169 0.80115919 0.06876913 1\n C C2 1 0.64413242 0.06411453 0.26541329 1\n C C3 1 0.60472206 0.10238430 -0.17368946 1\n C C4 1 1.01855249 0.18851708 0.74609669 1\n C C5 1 0.88626500 0.82120105 0.54985439 1\n C C6 1 0.18509942 0.52218392 0.50073363 1\n C C7 1 1.02567779 0.68180317 0.31409880 1\n C C8 1 0.61580863 0.59177873 0.24071558 1\n C C9 1 0.80670449 0.90014250 -0.00992812 1\n C C10 1 0.89525236 0.31194463 0.57072828 1\n C C11 1 1.23845270 -0.03090879 0.56082150 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45657000\n_cell_length_b 3.66278000\n_cell_length_c 6.47614000\n_cell_angle_alpha 99.52326000\n_cell_angle_beta 100.93974000\n_cell_angle_gamma 109.59041000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.22162595\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.35133867 0.80674152 0.15181746 1\n C C1 1 0.81687463 0.72038886 0.57344487 1\n C C2 1 0.52929456 0.27952588 0.43545592 1\n C C3 1 0.94076725 0.24894648 0.29005220 1\n C C4 1 1.11270355 0.64678499 0.23868805 1\n C C5 1 0.51110018 0.76566018 0.91562188 1\n C C6 1 -0.04587926 0.75791384 0.80961783 1\n C C7 1 0.35431237 0.88076005 0.48640959 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43159000\n_cell_length_b 5.70980000\n_cell_length_c 4.20398000\n_cell_angle_alpha 78.31596000\n_cell_angle_beta 90.03114000\n_cell_angle_gamma 88.22674000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.12943149\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31879676 0.80224404 0.93357951 1\n C C1 1 0.87952076 0.30972611 0.93207692 1\n C C2 1 -0.12035738 0.30760600 0.26588918 1\n C C3 1 0.81879676 0.80224404 0.43357951 1\n C C4 1 0.31891861 0.80012394 0.26739176 1\n C C5 1 0.81891861 0.80012394 0.76739176 1\n C C6 1 0.37952076 0.30972611 0.43207692 1\n C C7 1 0.37964262 0.30760600 0.76588918 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45374000\n_cell_length_b 4.59121000\n_cell_length_c 7.14098000\n_cell_angle_alpha 98.03863000\n_cell_angle_beta 107.26293000\n_cell_angle_gamma 111.65535000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.52585029\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.19301486 0.99586857 0.36883223 1\n C C1 1 -0.03522375 0.42841804 0.97179577 1\n C C2 1 0.96199931 0.62045668 0.32790866 1\n C C3 1 0.12907126 0.71959501 0.89457820 1\n C C4 1 1.00611132 1.04113184 0.67878731 1\n C C5 1 0.12696523 0.52526053 0.53762431 1\n C C6 1 1.08531530 0.10553446 0.18721326 1\n C C7 1 0.20249094 0.21580159 0.88993746 1\n C C8 1 0.84211701 0.68448267 0.65942004 1\n C C9 1 0.89629152 1.14974846 0.49696569 1\n C C10 1 0.24822771 0.46230864 0.20630597 1\n C C11 1 -0.10799340 -0.06774496 -0.02351079 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.73027000\n_cell_length_b 4.93323000\n_cell_length_c 5.73137000\n_cell_angle_alpha 87.88767000\n_cell_angle_beta 129.05703000\n_cell_angle_gamma 113.50883000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.61407981\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02938936 0.49765775 0.14568423 1\n C C1 1 0.72862786 0.00996028 0.60946361 1\n C C2 1 0.03317944 0.02594864 0.28570859 1\n C C3 1 0.38157067 0.05196087 0.64592776 1\n C C4 1 0.48843227 0.98805628 1.11219547 1\n C C5 1 0.58787230 0.38828342 0.79122304 1\n C C6 1 0.81594349 0.53285084 0.64810047 1\n C C7 1 0.10584830 0.87880031 0.75763249 1\n C C8 1 0.04323766 0.35045001 0.61756241 1\n C C9 1 0.26061096 0.84355524 0.25526638 1\n C C10 1 0.69460855 0.32445755 0.25754109 1\n C C11 1 0.34744707 0.36632421 0.29394577 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48817000\n_cell_length_b 3.51689000\n_cell_length_c 4.30467000\n_cell_angle_alpha 65.90519000\n_cell_angle_beta 106.76560000\n_cell_angle_gamma 89.99352000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62407358\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27151666 0.94124624 0.70111297 1\n C C1 1 1.10490734 0.35815169 0.36767563 1\n C C2 1 -0.06181667 0.27457957 0.03444630 1\n C C3 1 0.43824067 1.02481836 1.03434230 1\n C C4 1 0.60484999 0.60791291 0.36777963 1\n C C5 1 0.77157401 0.69148503 0.70100897 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37527000\n_cell_length_b 3.79057000\n_cell_length_c 4.07857000\n_cell_angle_alpha 108.53435000\n_cell_angle_beta 100.25445000\n_cell_angle_gamma 107.04491000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.13583749\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84628359 0.44956622 0.13309769 1\n C C1 1 0.21328321 0.74432667 0.45161498 1\n C C2 1 0.47608340 0.26030576 0.26407227 1\n C C3 1 1.01834593 0.11330151 0.97640627 1\n C C4 1 0.04186732 0.08107104 0.60938509 1\n C C5 1 0.36136191 0.47706569 0.61170454 1\n C C6 1 0.69856102 0.71776088 -0.02583620 1\n C C7 1 0.58415151 0.93447573 0.32198976 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.76134000\n_cell_length_b 4.30369000\n_cell_length_c 4.39793000\n_cell_angle_alpha 76.65120000\n_cell_angle_beta 64.12492000\n_cell_angle_gamma 64.43180000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.70279528\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79192017 0.02307487 0.83084404 1\n C C1 1 0.25677604 -0.12858726 0.68088035 1\n C C2 1 0.71743466 0.41022920 0.22102671 1\n C C3 1 0.99119004 0.64238632 0.45073347 1\n C C4 1 0.55434837 0.26141058 0.06933667 1\n C C5 1 0.35477993 0.64071683 0.45065818 1\n C C6 1 0.08904490 0.41167230 0.22083105 1\n C C7 1 0.62859559 -0.12713115 0.68064772 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43203000\n_cell_length_b 3.24694000\n_cell_length_c 8.70142000\n_cell_angle_alpha 68.52573000\n_cell_angle_beta 89.34670000\n_cell_angle_gamma 67.08914000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.20486222\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71692961 0.11251181 0.25389909 1\n C C1 1 0.80102160 0.94408509 0.83676556 1\n C C2 1 0.30100204 0.94438873 0.33716514 1\n C C3 1 0.46701982 0.61231848 0.50366717 1\n C C4 1 0.55106797 0.44416659 0.08692451 1\n C C5 1 0.05093139 0.44427842 0.58699748 1\n C C6 1 0.96688324 0.61243031 0.00374014 1\n C C7 1 0.21694917 0.11220817 0.75349951 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43238000\n_cell_length_b 3.24654000\n_cell_length_c 13.18455000\n_cell_angle_alpha 121.33545000\n_cell_angle_beta 97.56533000\n_cell_angle_gamma 93.05463000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.23904219\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00085124 0.35612257 0.89161226 1\n C C1 1 0.44342685 0.13482858 0.83565268 1\n C C2 1 0.33192905 0.69065447 0.72475557 1\n C C3 1 0.44261607 0.13672644 0.33524355 1\n C C4 1 0.66454971 0.02442440 0.55788337 1\n C C5 1 0.66588620 1.02368138 0.05807640 1\n C C6 1 0.33212790 0.69182460 0.22453458 1\n C C7 1 0.77651249 0.46946260 0.16857767 1\n C C8 1 0.77607116 0.46888798 0.66868268 1\n C C9 1 1.10891706 0.80211939 0.50207946 1\n C C10 1 0.99810151 0.35790004 0.39116728 1\n C C11 1 0.11029743 0.80077434 0.00241530 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43057000\n_cell_length_b 3.14333000\n_cell_length_c 6.69127000\n_cell_angle_alpha 91.94257000\n_cell_angle_beta 112.80622000\n_cell_angle_gamma 109.85935000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.50687917\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27089220 -0.03870901 0.29900024 1\n C C1 1 0.27191660 0.62949860 0.96554002 1\n C C2 1 0.27030657 0.29071014 0.63333133 1\n C C3 1 0.60311092 0.17734393 0.52201555 1\n C C4 1 0.60472849 0.84887546 0.18804624 1\n C C5 1 0.60506132 0.51458388 0.85531862 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43198000\n_cell_length_b 4.45682000\n_cell_length_c 5.84612000\n_cell_angle_alpha 125.53454000\n_cell_angle_beta 81.10804000\n_cell_angle_gamma 120.78411000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.36416230\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89815969 0.20572312 0.33772541 1\n C C1 1 0.89801807 0.53898490 0.00450483 1\n C C2 1 0.56498837 0.42838512 0.44842798 1\n C C3 1 0.56492369 0.09493760 0.78176183 1\n C C4 1 0.56479641 0.76157251 0.11530496 1\n C C5 1 0.89818217 0.87243644 0.67091720 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41554000\n_cell_length_b 4.89562000\n_cell_length_c 3.41982000\n_cell_angle_alpha 101.53619000\n_cell_angle_beta 105.00704000\n_cell_angle_gamma 108.38521000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.87796099\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12131975 0.55069524 1.02590666 1\n C C1 1 0.32835424 0.63572788 0.48839251 1\n C C2 1 0.28575277 0.38578564 0.69606410 1\n C C3 1 0.82835424 0.13572788 0.48839251 1\n C C4 1 0.16388248 0.80068079 0.81816093 1\n C C5 1 0.78575277 0.88578564 0.69606410 1\n C C6 1 0.62131975 0.05069524 0.02590666 1\n C C7 1 0.66388248 0.30068079 0.81816093 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47736000\n_cell_length_b 2.47766000\n_cell_length_c 6.77928000\n_cell_angle_alpha 89.99263000\n_cell_angle_beta 111.44615000\n_cell_angle_gamma 120.02569000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.65850041\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20376158 0.75447726 0.30888308 1\n C C1 1 0.31102444 0.30834198 0.63947968 1\n C C2 1 0.42525586 0.86569901 0.97391009 1\n C C3 1 0.98137057 0.14316717 0.39225237 1\n C C4 1 0.87072780 0.58811963 0.05799873 1\n C C5 1 0.08974545 0.69827824 0.72295844 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51729000\n_cell_length_b 3.31903000\n_cell_length_c 4.83663000\n_cell_angle_alpha 133.35728000\n_cell_angle_beta 111.34453000\n_cell_angle_gamma 89.98654000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54440675\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46790346 0.04262542 0.71026510 1\n C C1 1 0.16325354 0.40490219 0.40572127 1\n C C2 1 0.69939335 0.34013016 0.17369169 1\n C C3 1 0.16316515 0.37615168 0.71033998 1\n C C4 1 0.39567877 0.00690036 0.17424143 1\n C C5 1 0.69960453 -0.02187161 0.47830552 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48789000\n_cell_length_b 4.30502000\n_cell_length_c 6.57966000\n_cell_angle_alpha 109.09618000\n_cell_angle_beta 79.09234000\n_cell_angle_gamma 89.98587000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.24297220\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14942585 -0.05522554 0.90679756 1\n C C1 1 0.98323764 0.77822449 0.23986367 1\n C C2 1 0.64946108 0.44480807 0.90682456 1\n C C3 1 0.52587253 0.56993247 0.15670111 1\n C C4 1 0.85904022 -0.09677749 0.48985638 1\n C C5 1 0.81617227 0.61175976 0.57359321 1\n C C6 1 0.48336674 0.27820699 0.23982801 1\n C C7 1 0.69209028 0.73646840 0.82355209 1\n C C8 1 0.19213064 0.23650590 0.82358534 1\n C C9 1 0.31610823 0.11179410 0.57362331 1\n C C10 1 0.02597025 1.06990904 1.15668703 1\n C C11 1 0.35913248 0.40320411 0.48981303 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48284000\n_cell_length_b 3.54221000\n_cell_length_c 7.04106000\n_cell_angle_alpha 63.10405000\n_cell_angle_beta 80.05043000\n_cell_angle_gamma 69.75318000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.80378608\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55136109 0.77538154 0.51854970 1\n C C1 1 -0.12818764 0.40343647 0.24828383 1\n C C2 1 0.16450058 0.29277007 0.77102281 1\n C C3 1 0.37390313 0.27045828 0.37707279 1\n C C4 1 0.84604376 0.66431023 0.04182700 1\n C C5 1 0.17996850 0.51495348 0.52051148 1\n C C6 1 0.53693760 0.55308980 0.76903828 1\n C C7 1 0.34359958 0.79725844 0.91289621 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40168000\n_cell_length_b 3.45238000\n_cell_length_c 5.34286000\n_cell_angle_alpha 97.42184000\n_cell_angle_beta 98.01805000\n_cell_angle_gamma 92.16724000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.51234545\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33148330 0.67652254 0.86291230 1\n C C1 1 -0.14576465 0.64368190 0.17893774 1\n C C2 1 0.49587944 0.31734112 0.18942806 1\n C C3 1 0.14106531 0.42702858 1.01710814 1\n C C4 1 0.38250783 0.42233239 0.44437073 1\n C C5 1 0.97590392 0.78608092 0.69011612 1\n C C6 1 0.61870312 0.46020348 0.69993518 1\n C C7 1 0.62833480 -0.04108655 0.03929752 1\n C C8 1 0.08821288 0.68179524 0.43472200 1\n C C9 1 0.84546545 0.14500828 0.84002000 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43095000\n_cell_length_b 3.26245000\n_cell_length_c 6.56718000\n_cell_angle_alpha 90.87634000\n_cell_angle_beta 110.82083000\n_cell_angle_gamma 113.83758000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.75298183\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20944187 0.88501624 0.65042616 1\n C C1 1 0.20820214 0.54866244 0.31784497 1\n C C2 1 0.87659905 0.33022885 0.09525665 1\n C C3 1 0.21008161 0.21790641 0.98418713 1\n C C4 1 0.87467518 0.66220812 0.42829123 1\n C C5 1 -0.12341945 0.99795473 0.76166737 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42510000\n_cell_length_b 4.15220000\n_cell_length_c 6.19035000\n_cell_angle_alpha 70.43737000\n_cell_angle_beta 78.41162000\n_cell_angle_gamma 89.83754000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.39799672\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64016707 0.02608681 -0.05621747 1\n C C1 1 0.87567932 0.32539313 0.47810655 1\n C C2 1 0.18980517 0.17204073 0.84562308 1\n C C3 1 -0.00309233 0.56534530 0.23050157 1\n C C4 1 0.54493582 0.71168954 0.13316053 1\n C C5 1 0.34299138 0.78240595 0.55317527 1\n C C6 1 0.31443888 0.41001722 0.59755053 1\n C C7 1 0.85874319 0.95340971 0.52032866 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51360000\n_cell_length_b 4.62662000\n_cell_length_c 5.47749000\n_cell_angle_alpha 111.72446000\n_cell_angle_beta 92.83630000\n_cell_angle_gamma 81.47792000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.52160724\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14927865 0.25848767 0.07272879 1\n C C1 1 0.62203786 0.48711712 0.77031806 1\n C C2 1 0.68354135 0.04415363 -0.01150759 1\n C C3 1 -0.11287235 -0.05937316 0.38401184 1\n C C4 1 0.68555505 0.27848776 0.48410855 1\n C C5 1 0.14337933 0.39528563 0.37832178 1\n C C6 1 0.06870128 0.75443847 0.54375397 1\n C C7 1 0.59359837 0.79650823 0.71653547 1\n C C8 1 0.90507356 0.82621431 0.12654019 1\n C C9 1 1.10853969 0.50180474 0.93902484 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52290000\n_cell_length_b 3.99023000\n_cell_length_c 4.94874000\n_cell_angle_alpha 92.48800000\n_cell_angle_beta 75.27164000\n_cell_angle_gamma 99.75844000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.48464235\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65645299 0.89898500 0.65260431 1\n C C1 1 0.63108624 0.75215726 0.90387947 1\n C C2 1 0.23066384 0.19639071 0.15835943 1\n C C3 1 0.67727632 0.95457796 0.15843382 1\n C C4 1 0.05776874 0.45469478 0.39826167 1\n C C5 1 0.61108059 0.69647380 0.39824280 1\n C C6 1 0.53046528 0.39883221 0.90386043 1\n C C7 1 0.75843861 0.25226147 0.65250477 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48473000\n_cell_length_b 4.08580000\n_cell_length_c 4.67960000\n_cell_angle_alpha 96.67087000\n_cell_angle_beta 74.56221000\n_cell_angle_gamma 89.99916000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45994956\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04337640 0.91028921 0.77419574 1\n C C1 1 -0.01463799 0.26596719 0.89029195 1\n C C2 1 1.20212981 0.72905857 0.46001009 1\n C C3 1 0.70089076 0.50358378 0.46245439 1\n C C4 1 0.31283787 0.97145462 0.23264585 1\n C C5 1 -0.18616166 0.19699424 0.23078175 1\n C C6 1 0.52944464 0.43499761 0.80373429 1\n C C7 1 0.47040316 0.79066848 0.91843674 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43056000\n_cell_length_b 5.28512000\n_cell_length_c 7.21733000\n_cell_angle_alpha 88.09952000\n_cell_angle_beta 71.70750000\n_cell_angle_gamma 77.65329000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.93375398\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03033442 0.27695182 0.35373318 1\n C C1 1 0.52924938 -0.05561259 0.52110404 1\n C C2 1 0.02891727 0.38874654 0.79922740 1\n C C3 1 1.02828480 0.61193435 0.68839403 1\n C C4 1 0.02927841 0.94436608 1.02107695 1\n C C5 1 0.53026840 0.27699345 0.85381920 1\n C C6 1 0.52837279 0.05591150 0.96613540 1\n C C7 1 0.52836943 0.61186785 0.18828358 1\n C C8 1 0.02698613 0.72363510 0.13369119 1\n C C9 1 1.02839940 0.05591039 0.46611425 1\n C C10 1 0.52691276 0.72370487 0.63378447 1\n C C11 1 0.52900241 0.38869132 0.29911741 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49844000\n_cell_length_b 4.26138000\n_cell_length_c 4.83695000\n_cell_angle_alpha 111.32514000\n_cell_angle_beta 90.17326000\n_cell_angle_gamma 89.97586000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.97183681\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60542897 -0.10358833 0.37477340 1\n C C1 1 0.10447491 0.46254416 0.42958261 1\n C C2 1 0.10505335 0.69164518 0.24941342 1\n C C3 1 0.60582512 0.32236884 0.79564956 1\n C C4 1 1.10645476 0.75647601 0.74076287 1\n C C5 1 0.10625986 0.52709842 0.92099764 1\n C C6 1 0.60464327 0.27780588 0.45511882 1\n C C7 1 0.60636566 -0.05900656 0.71523907 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48978000\n_cell_length_b 4.94586000\n_cell_length_c 6.09453000\n_cell_angle_alpha 69.25335000\n_cell_angle_beta 78.22567000\n_cell_angle_gamma 90.01322000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.48962279\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83846837 0.85594025 0.87035215 1\n C C1 1 0.38412964 0.06324928 0.77774370 1\n C C2 1 0.20790184 0.20434683 0.13719807 1\n C C3 1 0.54884749 0.89594447 0.45385008 1\n C C4 1 0.34014120 0.36501226 0.86855985 1\n C C5 1 -0.11578184 0.55468568 0.77874431 1\n C C6 1 0.68040351 0.02535079 0.19285263 1\n C C7 1 1.09611754 0.30583449 0.36265941 1\n C C8 1 1.13283443 0.61534676 0.28466982 1\n C C9 1 0.02105844 0.71676863 0.51013216 1\n C C10 1 0.70487113 0.75768322 0.14111442 1\n C C11 1 0.52364475 0.16319364 0.50666579 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47262000\n_cell_length_b 3.65430000\n_cell_length_c 6.35229000\n_cell_angle_alpha 62.58034000\n_cell_angle_beta 75.94832000\n_cell_angle_gamma 58.21310000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.82229364\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01081487 0.76308201 0.97634345 1\n C C1 1 0.49240393 0.98044900 0.26974483 1\n C C2 1 0.72700774 0.29721386 0.87490690 1\n C C3 1 0.24489568 0.08020119 0.58103128 1\n C C4 1 0.24529878 0.60418719 0.76959781 1\n C C5 1 0.01060978 1.15516270 0.37486242 1\n C C6 1 0.49222004 0.45667913 0.08114124 1\n C C7 1 1.01373163 0.45793950 0.67539553 1\n C C8 1 0.72387736 0.60253196 0.17547523 1\n C C9 1 0.72689159 0.90504588 0.47628051 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51660000\n_cell_length_b 3.31944000\n_cell_length_c 3.51856000\n_cell_angle_alpha 89.99618000\n_cell_angle_beta 120.00073000\n_cell_angle_gamma 90.01373000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.56969815\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51768258 0.32285699 0.31579876 1\n C C1 1 0.21298113 -0.01187308 0.31556561 1\n C C2 1 0.21315814 0.65553557 1.01183710 1\n C C3 1 0.44507750 0.82285414 0.77975539 1\n C C4 1 0.74957506 0.48807240 0.77967621 1\n C C5 1 0.74937978 0.15555127 0.08386194 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45938000\n_cell_length_b 5.27360000\n_cell_length_c 7.49897000\n_cell_angle_alpha 73.25364000\n_cell_angle_beta 93.78544000\n_cell_angle_gamma 90.02601000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.91446289\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00071072 0.32957400 0.64211508 1\n C C1 1 0.08958636 0.55247015 0.73147509 1\n C C2 1 0.14615538 0.81916725 0.37392266 1\n C C3 1 0.55320232 0.14356118 0.70711599 1\n C C4 1 0.66889069 0.16728161 0.39412927 1\n C C5 1 0.60828767 0.53010004 0.85169618 1\n C C6 1 0.21636076 0.58118566 0.32155851 1\n C C7 1 0.61966628 0.97090701 0.58438486 1\n C C8 1 0.15785719 0.58365058 0.11316700 1\n C C9 1 0.11704103 0.80771900 0.57956039 1\n C C10 1 0.13854888 0.27968267 0.10532557 1\n C C11 1 0.62226602 0.25126360 0.99590829 1\n C C12 1 0.62869000 0.70844643 0.99520416 1\n C C13 1 0.59915002 0.01781830 0.91009946 1\n C C14 1 0.15350940 0.10624885 0.29663306 1\n C C15 1 0.76400361 0.42612307 0.42191152 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48758000\n_cell_length_b 4.30389000\n_cell_length_c 3.51634000\n_cell_angle_alpha 65.89995000\n_cell_angle_beta 90.00231000\n_cell_angle_gamma 73.21481000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60011124\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.14268309 0.04560592 0.41695283 1\n C C1 1 1.19065025 0.37893925 0.75028616 1\n C C2 1 0.69054617 0.37886218 0.50038575 1\n C C3 1 1.02387951 0.71219551 0.83371909 1\n C C4 1 0.52398358 0.71227258 0.08361950 1\n C C5 1 0.35721284 0.04552885 0.16705242 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48383000\n_cell_length_b 5.70003000\n_cell_length_c 6.18942000\n_cell_angle_alpha 67.65400000\n_cell_angle_beta 101.58922000\n_cell_angle_gamma 102.60295000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.41778697\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51413397 0.59589343 0.88960302 1\n C C1 1 0.59263358 0.87372654 0.76912451 1\n C C2 1 0.78175842 0.42261811 0.59984521 1\n C C3 1 0.04405445 0.33392760 0.21623384 1\n C C4 1 0.92184647 0.47114968 0.83075664 1\n C C5 1 0.89199420 0.21119218 0.03762571 1\n C C6 1 0.32036797 0.04637811 0.05876419 1\n C C7 1 0.60528109 0.50023524 0.16999391 1\n C C8 1 0.33687890 0.81861543 0.31456461 1\n C C9 1 0.49770277 0.96889009 0.48904257 1\n C C10 1 0.20956538 0.25789545 0.62120641 1\n C C11 1 0.76872297 0.64988089 0.34535748 1\n C C12 1 1.05710459 0.13499031 0.44290161 1\n C C13 1 0.18433144 -0.00126956 0.82749280 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47507000\n_cell_length_b 3.72195000\n_cell_length_c 4.24890000\n_cell_angle_alpha 115.99166000\n_cell_angle_beta 90.00805000\n_cell_angle_gamma 90.00077000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18240622\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72282683 0.21274692 0.38723095 1\n C C1 1 0.22285119 0.23301745 0.61013459 1\n C C2 1 0.22265046 0.82419956 0.60985408 1\n C C3 1 0.72274002 0.77811508 0.10923395 1\n C C4 1 0.72264392 0.62157417 0.38747504 1\n C C5 1 0.22277888 0.66765283 0.88812908 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33939000\n_cell_length_b 3.35734000\n_cell_length_c 7.55085000\n_cell_angle_alpha 105.87969000\n_cell_angle_beta 105.71688000\n_cell_angle_gamma 42.97628000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.18381525\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36914060 0.28423198 0.21197814 1\n C C1 1 0.35196446 0.26896113 0.55794276 1\n C C2 1 0.61134304 0.52955483 0.26963687 1\n C C3 1 0.62422870 0.54036652 0.92632561 1\n C C4 1 0.23387736 0.15099229 0.36062834 1\n C C5 1 -0.08205008 0.83451458 0.64812866 1\n C C6 1 0.74628362 0.66240509 0.12218464 1\n C C7 1 0.05635100 0.97290628 0.83717188 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43190000\n_cell_length_b 3.99256000\n_cell_length_c 4.62856000\n_cell_angle_alpha 96.06045000\n_cell_angle_beta 74.63770000\n_cell_angle_gamma 90.14290000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.07787769\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85486350 0.18160093 0.83095190 1\n C C1 1 0.29978998 0.06932215 -0.05857709 1\n C C2 1 0.18820171 0.84730474 0.16354749 1\n C C3 1 0.63337847 0.73427465 0.27377540 1\n C C4 1 0.96608524 0.40379683 0.60893760 1\n C C5 1 0.52090100 0.51671459 0.49882819 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45539000\n_cell_length_b 4.78569000\n_cell_length_c 5.88727000\n_cell_angle_alpha 101.66478000\n_cell_angle_beta 97.91588000\n_cell_angle_gamma 135.44914000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.00245495\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04865298 -0.14321492 0.47123228 1\n C C1 1 1.06150196 0.18268121 0.47706842 1\n C C2 1 0.69075967 0.12493369 0.61341741 1\n C C3 1 0.67462475 0.91714023 0.78006360 1\n C C4 1 1.11882259 0.62105679 0.05578882 1\n C C5 1 0.81015622 0.99898244 0.19286237 1\n C C6 1 0.03591206 0.58443858 0.78295701 1\n C C7 1 0.78536485 0.64872832 1.17306982 1\n C C8 1 0.71402120 0.64046730 0.63544635 1\n C C9 1 0.09042650 0.27171968 0.05258493 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42993000\n_cell_length_b 4.20530000\n_cell_length_c 5.88054000\n_cell_angle_alpha 87.21099000\n_cell_angle_beta 73.98654000\n_cell_angle_gamma 90.01200000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.68485487\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95992622 0.84438638 0.57030002 1\n C C1 1 -0.03945097 0.17765798 0.56951955 1\n C C2 1 0.12225425 0.31056549 0.05401462 1\n C C3 1 0.62169453 0.47732222 0.05472489 1\n C C4 1 0.12167139 0.97730402 1.05474099 1\n C C5 1 0.45992048 0.34438020 0.57033709 1\n C C6 1 0.46054421 0.67765820 0.56954742 1\n C C7 1 0.62224221 0.81058131 0.05403683 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48432000\n_cell_length_b 4.59650000\n_cell_length_c 6.02171000\n_cell_angle_alpha 101.92404000\n_cell_angle_beta 114.35111000\n_cell_angle_gamma 105.70902000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.19486189\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51132832 0.20403191 0.22680659 1\n C C1 1 0.57107493 1.12037519 0.82999379 1\n C C2 1 0.23475416 0.30330916 0.40137484 1\n C C3 1 0.59255237 0.63926959 0.59112852 1\n C C4 1 0.30170414 0.28483100 0.97789171 1\n C C5 1 0.52541137 0.65621935 0.01465832 1\n C C6 1 0.25568258 0.82069156 0.16233055 1\n C C7 1 0.26364920 0.07237207 0.54545277 1\n C C8 1 0.31530045 0.73727192 0.76548194 1\n C C9 1 0.56426238 -0.12996834 0.44740338 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43049000\n_cell_length_b 4.20468000\n_cell_length_c 5.65732000\n_cell_angle_alpha 90.31301000\n_cell_angle_beta 94.79510000\n_cell_angle_gamma 90.21799000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.61086406\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13196133 0.18900810 0.41696558 1\n C C1 1 0.63196133 0.68900810 0.41696558 1\n C C2 1 0.39109754 -0.02578311 0.91755429 1\n C C3 1 0.13153724 0.85632899 0.41742762 1\n C C4 1 0.63153724 0.35632899 0.41742762 1\n C C5 1 0.89109754 0.47421689 -0.08244571 1\n C C6 1 0.39067346 0.64153779 0.91801633 1\n C C7 1 -0.10932654 0.14153779 0.91801633 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43124000\n_cell_length_b 3.17651000\n_cell_length_c 7.68178000\n_cell_angle_alpha 61.70566000\n_cell_angle_beta 98.11315000\n_cell_angle_gamma 66.08632000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.46791037\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34084567 0.55611656 0.61646763 1\n C C1 1 0.33990016 -0.10909299 -0.05000316 1\n C C2 1 0.00811340 0.99777642 0.39402779 1\n C C3 1 0.34114896 0.22157797 0.28302655 1\n C C4 1 0.00724899 0.33337290 0.72768435 1\n C C5 1 1.00706602 0.66627553 0.06095713 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47949000\n_cell_length_b 3.80184000\n_cell_length_c 7.90077000\n_cell_angle_alpha 108.32530000\n_cell_angle_beta 89.98915000\n_cell_angle_gamma 89.98299000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.70058222\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93955326 0.58256841 0.99303982 1\n C C1 1 0.44006410 0.48468316 0.26067948 1\n C C2 1 -0.06045320 0.19436923 0.98107503 1\n C C3 1 0.43977022 1.02470058 0.88781199 1\n C C4 1 0.93999625 0.48416034 0.16602740 1\n C C5 1 0.44006488 0.23475658 0.73840080 1\n C C6 1 0.44021596 0.38378427 0.41076309 1\n C C7 1 0.94023175 0.32160202 0.48839248 1\n C C8 1 0.43971252 0.63267174 0.89889499 1\n C C9 1 0.94013647 0.22040767 0.63845721 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45436000\n_cell_length_b 5.31290000\n_cell_length_c 7.90447000\n_cell_angle_alpha 77.75911000\n_cell_angle_beta 103.38900000\n_cell_angle_gamma 87.51290000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 97.52648370\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45561509 0.32306079 0.43783186 1\n C C1 1 0.41584660 0.05631522 1.00005820 1\n C C2 1 0.61507753 0.50238037 0.14657645 1\n C C3 1 -0.54829775 0.57662165 0.96875458 1\n C C4 1 0.29366723 0.19922241 0.81104544 1\n C C5 1 0.62675435 0.75616080 0.53180588 1\n C C6 1 0.86164848 0.59895581 0.86064231 1\n C C7 1 0.20128314 0.51642725 0.25111618 1\n C C8 1 1.07455438 0.80987781 0.25672596 1\n C C9 1 0.73751712 0.84435761 0.70662512 1\n C C10 1 0.04498808 0.88097422 0.42574580 1\n C C11 1 0.20585648 0.01408760 0.68772231 1\n C C12 1 1.02240098 0.14722787 0.47846519 1\n C C13 1 0.75486387 0.36866601 0.76439025 1\n C C14 1 0.60724185 0.48059687 0.57236730 1\n C C15 1 0.98131786 -0.01314367 0.08568239 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46383000\n_cell_length_b 3.79618000\n_cell_length_c 8.57597000\n_cell_angle_alpha 109.61037000\n_cell_angle_beta 106.69955000\n_cell_angle_gamma 108.92999000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.01765885\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39558597 0.38863430 0.28051859 1\n C C1 1 0.15599745 0.30968876 0.08034731 1\n C C2 1 1.11134909 0.66894342 0.35562067 1\n C C3 1 0.17341090 0.66552940 0.91989900 1\n C C4 1 1.11579460 0.09824079 0.64484621 1\n C C5 1 0.45542449 -0.04419032 0.55574225 1\n C C6 1 0.12159331 0.92817774 0.23730578 1\n C C7 1 0.41236103 0.74434380 0.12003176 1\n C C8 1 0.45847034 0.38533673 0.84489491 1\n C C9 1 0.44737961 0.12606426 0.96319372 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48470000\n_cell_length_b 4.59649000\n_cell_length_c 5.48712000\n_cell_angle_alpha 69.49981000\n_cell_angle_beta 90.01558000\n_cell_angle_gamma 105.66103000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.21041047\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.19753942 0.53361675 0.35148868 1\n C C1 1 0.34734723 0.61719581 0.95398342 1\n C C2 1 0.53707974 1.00013473 0.88957654 1\n C C3 1 0.96952696 -0.13154866 0.57146019 1\n C C4 1 0.08623566 0.09907783 0.71561703 1\n C C5 1 -0.00635239 0.91724050 0.28598260 1\n C C6 1 0.57602250 1.08143999 0.13803539 1\n C C7 1 0.25392756 0.43521818 0.52611848 1\n C C8 1 0.36962526 0.66626567 0.66942878 1\n C C9 1 0.76507140 0.45284249 0.10166320 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46819000\n_cell_length_b 5.26429000\n_cell_length_c 9.30035000\n_cell_angle_alpha 89.92500000\n_cell_angle_beta 71.09298000\n_cell_angle_gamma 84.54792000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 113.74903674\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08491210 0.78680583 0.86453771 1\n C C1 1 0.66586974 0.13672085 0.08874700 1\n C C2 1 0.27155445 0.45124582 0.55009752 1\n C C3 1 0.88092433 0.21468277 0.92212705 1\n C C4 1 0.81819787 0.91239820 0.53997557 1\n C C5 1 0.36430741 0.37747116 0.91544825 1\n C C6 1 0.07812211 0.03280941 0.78427690 1\n C C7 1 0.35194270 0.39710322 0.17260480 1\n C C8 1 0.45824878 0.27127077 0.40687481 1\n C C9 1 0.69253658 0.44706004 0.27102074 1\n C C10 1 0.65145835 0.38908240 0.64456831 1\n C C11 1 0.19289688 0.97982873 0.11600686 1\n C C12 1 0.39222592 0.53875060 0.78881326 1\n C C13 1 0.10099193 0.88038953 0.27822392 1\n C C14 1 0.32305716 0.54219587 0.04201189 1\n C C15 1 0.67072972 1.08439673 0.68636846 1\n C C16 1 0.58445713 0.72835579 0.32412608 1\n C C17 1 -0.03477091 0.09622674 0.40429851 1\n C C18 1 0.40275448 0.78675250 -0.01615335 1\n C C19 1 0.36589907 0.74256030 0.50254618 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35412000\n_cell_length_b 4.50923000\n_cell_length_c 6.05503000\n_cell_angle_alpha 104.21519000\n_cell_angle_beta 87.23295000\n_cell_angle_gamma 83.22060000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.87001892\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.17517522 0.49387869 0.61593928 1\n C C1 1 -0.08028272 0.25474387 0.70686751 1\n C C2 1 0.62906186 0.52125303 0.41439886 1\n C C3 1 0.12739170 0.90503944 0.91112542 1\n C C4 1 1.29464445 0.76777252 0.07514027 1\n C C5 1 0.46410171 0.30752367 0.24740127 1\n C C6 1 0.93395172 0.77071649 0.72283726 1\n C C7 1 0.29179777 0.43966222 0.07278180 1\n C C8 1 0.81048901 0.97807175 0.59949300 1\n C C9 1 0.46145073 0.97950604 0.24497910 1\n C C10 1 0.62406227 0.84229200 0.40979967 1\n C C11 1 0.12264891 0.22645608 0.90673807 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52839000\n_cell_length_b 5.26286000\n_cell_length_c 5.55160000\n_cell_angle_alpha 89.95035000\n_cell_angle_beta 76.81414000\n_cell_angle_gamma 89.98278000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.92504825\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48695981 0.16807786 -0.02101879 1\n C C1 1 0.12243471 0.81863662 0.70608778 1\n C C2 1 0.78974566 0.30416432 0.37228739 1\n C C3 1 0.25803180 0.43819265 0.43557597 1\n C C4 1 0.91057608 0.16772294 0.13129743 1\n C C5 1 0.25866570 0.89692099 0.43512396 1\n C C6 1 0.54883743 0.44302376 0.85295016 1\n C C7 1 0.33742266 0.66772970 0.27886161 1\n C C8 1 0.45666728 0.66835106 1.03637362 1\n C C9 1 0.79031855 0.03071895 0.37156112 1\n C C10 1 0.12198968 0.51796217 0.70622686 1\n C C11 1 0.54921673 0.89379459 0.85274079 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06429000\n_cell_length_b 2.43293000\n_cell_length_c 7.58632000\n_cell_angle_alpha 71.93574000\n_cell_angle_beta 56.25288000\n_cell_angle_gamma 68.32787000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.29839598\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60279633 0.89375512 0.08365492 1\n C C1 1 0.49273119 0.33809599 0.19472517 1\n C C2 1 0.15903059 0.67158240 0.52813700 1\n C C3 1 0.82567638 0.00491464 0.86139846 1\n C C4 1 0.93562896 0.56061190 0.75040066 1\n C C5 1 0.26934264 0.22706785 0.41706638 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04818000\n_cell_length_b 4.92007000\n_cell_length_c 7.06266000\n_cell_angle_alpha 62.80705000\n_cell_angle_beta 77.23431000\n_cell_angle_gamma 68.24004000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.32972243\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24012175 0.77111992 0.95000866 1\n C C1 1 0.63760873 0.37899211 0.73657391 1\n C C2 1 0.73649123 0.27376632 0.25905062 1\n C C3 1 1.04593977 -0.04215680 0.25944169 1\n C C4 1 0.73657552 0.27622111 0.93981983 1\n C C5 1 0.03344012 0.97494481 0.05402838 1\n C C6 1 1.13119390 0.88297438 0.72777713 1\n C C7 1 0.55060824 0.46336686 1.05250893 1\n C C8 1 0.63243838 0.37938046 0.41907962 1\n C C9 1 0.31898211 0.69470004 0.41924913 1\n C C10 1 0.82382149 0.19124578 0.62433837 1\n C C11 1 0.33728846 0.67952282 0.62336791 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45984000\n_cell_length_b 5.07239000\n_cell_length_c 6.44891000\n_cell_angle_alpha 80.26313000\n_cell_angle_beta 88.81253000\n_cell_angle_gamma 84.56389000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.94808215\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47182270 0.21984366 0.80400287 1\n C C1 1 -0.01731475 0.63655165 0.14330511 1\n C C2 1 0.97184099 0.18699225 0.91111970 1\n C C3 1 -0.01183231 0.69383974 0.91292804 1\n C C4 1 0.48984113 0.71942542 0.80572569 1\n C C5 1 0.97556627 0.36395658 0.24512897 1\n C C6 1 -0.00893086 0.81230990 0.47791837 1\n C C7 1 -0.02557505 0.13616243 0.14161543 1\n C C8 1 0.47239721 0.27944409 0.58245812 1\n C C9 1 0.49115570 0.77973276 0.58412932 1\n C C10 1 -0.01560685 0.86421317 0.24704195 1\n C C11 1 0.97334544 0.30602463 0.47611034 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44766000\n_cell_length_b 4.81038000\n_cell_length_c 6.46265000\n_cell_angle_alpha 90.76911000\n_cell_angle_beta 112.22020000\n_cell_angle_gamma 104.61116000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.65867123\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70978386 0.25455959 0.61681335 1\n C C1 1 0.71663342 0.11837214 0.19119970 1\n C C2 1 0.50360508 0.72962736 0.67213788 1\n C C3 1 0.22175229 0.55373714 -0.02035359 1\n C C4 1 -0.04006257 0.25185348 0.86871286 1\n C C5 1 0.45380833 0.08766200 0.94374996 1\n C C6 1 0.48476741 0.58479793 0.22705917 1\n C C7 1 0.43780871 0.94192181 0.49855559 1\n C C8 1 0.22631977 0.41762166 0.55245800 1\n C C9 1 0.97670013 0.42060905 0.30101891 1\n C C10 1 0.18133946 0.77764477 0.82622927 1\n C C11 1 0.76050889 -0.10587833 0.34484870 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.88999000\n_cell_length_b 4.83034000\n_cell_length_c 4.88970000\n_cell_angle_alpha 108.22391000\n_cell_angle_beta 59.54217000\n_cell_angle_gamma 66.76104000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.72637799\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06697148 0.55724939 0.93057212 1\n C C1 1 0.12925710 1.00804007 0.44844090 1\n C C2 1 0.27481143 0.04147399 0.14474845 1\n C C3 1 0.06666259 0.09922440 0.00425287 1\n C C4 1 0.50531646 0.16404373 0.56236228 1\n C C5 1 0.81898370 0.51990861 0.18088396 1\n C C6 1 0.75543530 0.06959103 0.66496525 1\n C C7 1 0.38056101 0.91309811 0.54991333 1\n C C8 1 0.60999186 0.03596673 -0.03151421 1\n C C9 1 0.81910845 -0.02187016 1.10807184 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.87073000\n_cell_length_b 4.66796000\n_cell_length_c 5.76508000\n_cell_angle_alpha 51.91510000\n_cell_angle_beta 80.77865000\n_cell_angle_gamma 94.17404000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.53824195\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38629868 0.73456249 0.41036958 1\n C C1 1 0.38482929 0.23836727 -0.06714066 1\n C C2 1 0.38583758 0.73434061 0.95962335 1\n C C3 1 0.38428698 0.36687842 0.09431514 1\n C C4 1 0.38565731 0.86295047 0.12097088 1\n C C5 1 0.38353010 0.05038068 0.64827431 1\n C C6 1 0.38493446 0.36705204 0.64329543 1\n C C7 1 0.38700831 0.05095151 0.40552197 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47432000\n_cell_length_b 3.69605000\n_cell_length_c 6.19771000\n_cell_angle_alpha 76.37667000\n_cell_angle_beta 78.51235000\n_cell_angle_gamma 90.01553000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.91494598\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24183796 0.77820685 0.25125247 1\n C C1 1 0.57846146 0.44420880 0.57948207 1\n C C2 1 1.01192332 0.37132050 0.71337988 1\n C C3 1 0.33369838 0.14633632 0.06788879 1\n C C4 1 0.90011095 0.21670524 0.93410505 1\n C C5 1 0.24131894 0.37043201 0.25233773 1\n C C6 1 0.67056374 0.81380000 0.39529967 1\n C C7 1 0.67144405 0.22204677 0.39339433 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48314000\n_cell_length_b 2.48264000\n_cell_length_c 10.49753000\n_cell_angle_alpha 103.66030000\n_cell_angle_beta 83.20332000\n_cell_angle_gamma 120.03087000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.44218331\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61272187 0.60724260 0.73819906 1\n C C1 1 0.27948841 0.33869410 0.13720016 1\n C C2 1 0.28003910 1.19030751 0.98785220 1\n C C3 1 0.61277638 0.20486114 0.33588686 1\n C C4 1 0.94622365 0.47312989 0.93775435 1\n C C5 1 -0.05459889 0.07178172 0.53669241 1\n C C6 1 0.61197700 0.45576108 0.58713433 1\n C C7 1 0.61238747 0.05506617 0.18698162 1\n C C8 1 0.94640235 0.92119834 0.38577348 1\n C C9 1 -0.05390965 0.32368266 0.78848073 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43258000\n_cell_length_b 3.99065000\n_cell_length_c 4.64484000\n_cell_angle_alpha 84.16839000\n_cell_angle_beta 105.58738000\n_cell_angle_gamma 89.77167000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18399423\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22953394 0.60057545 0.49376191 1\n C C1 1 1.00850637 0.15585802 0.04950811 1\n C C2 1 0.56177451 1.26926569 0.15888497 1\n C C3 1 0.67638806 0.48660294 0.38465058 1\n C C4 1 0.34260454 0.82100788 0.71741995 1\n C C5 1 -0.10413082 -0.06607277 0.82686599 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48197000\n_cell_length_b 3.84325000\n_cell_length_c 4.48867000\n_cell_angle_alpha 89.96542000\n_cell_angle_beta 123.57151000\n_cell_angle_gamma 89.99728000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.67467737\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00268160 1.00442483 0.37211699 1\n C C1 1 0.73838585 0.59300042 0.60832389 1\n C C2 1 0.73503192 0.29873616 0.10463686 1\n C C3 1 0.73902177 0.00381795 0.60874140 1\n C C4 1 1.00188759 0.59331987 0.37169330 1\n C C5 1 0.00714068 0.29818168 0.87613797 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.77673000\n_cell_length_b 4.75913000\n_cell_length_c 3.90599000\n_cell_angle_alpha 114.24728000\n_cell_angle_beta 90.03521000\n_cell_angle_gamma 66.90332000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.79356341\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72720832 0.55650283 0.10595556 1\n C C1 1 0.33056847 0.28577610 -0.31455028 1\n C C2 1 0.96187738 0.95465965 0.63104107 1\n C C3 1 0.57919568 1.15419335 1.26661138 1\n C C4 1 0.54458197 0.03964573 0.84671672 1\n C C5 1 -0.05911486 0.31026361 0.69839273 1\n C C6 1 0.69206668 0.44232968 0.41119618 1\n C C7 1 0.36442243 0.77825024 0.71245872 1\n C C8 1 0.31088318 0.64102964 -0.02539157 1\n C C9 1 0.90819004 0.81759327 0.23159038 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48019000\n_cell_length_b 2.48082000\n_cell_length_c 8.66194000\n_cell_angle_alpha 106.63044000\n_cell_angle_beta 89.99664000\n_cell_angle_gamma 120.01264000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.55685715\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33294911 0.45052386 0.60565816 1\n C C1 1 0.83316114 0.45147986 0.85705419 1\n C C2 1 0.79261182 0.36859262 0.29485762 1\n C C3 1 0.66744555 0.11956052 0.10844403 1\n C C4 1 0.45798567 0.70089014 0.79392222 1\n C C5 1 0.62468837 0.03344949 0.54301567 1\n C C6 1 0.50073302 0.78510322 0.35700054 1\n C C7 1 0.95901843 0.70257499 0.04585837 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47434000\n_cell_length_b 3.68228000\n_cell_length_c 8.34442000\n_cell_angle_alpha 67.96200000\n_cell_angle_beta 72.86575000\n_cell_angle_gamma 90.10301000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.80122175\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01424300 0.84059195 0.32332213 1\n C C1 1 0.37961670 0.41036125 0.95454531 1\n C C2 1 0.61772809 0.98175650 0.21930382 1\n C C3 1 -0.23604886 0.40403986 0.07158300 1\n C C4 1 0.52762616 0.83131640 0.80685851 1\n C C5 1 0.76727968 0.81273935 0.06850567 1\n C C6 1 0.37711258 0.00141394 0.95754431 1\n C C7 1 0.13124692 0.97165804 0.70268052 1\n C C8 1 0.28420789 0.31040573 0.55223088 1\n C C9 1 0.86470115 0.49787448 0.47217865 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.30613000\n_cell_length_b 3.28834000\n_cell_length_c 4.79966000\n_cell_angle_alpha 72.68033000\n_cell_angle_beta 63.30397000\n_cell_angle_gamma 49.01927000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.83780038\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69374036 0.77445288 0.86307273 1\n C C1 1 0.05463052 0.27426175 0.36304365 1\n C C2 1 0.69387343 0.27423152 0.36307354 1\n C C3 1 0.69365189 0.31557668 0.04362716 1\n C C4 1 0.33281254 0.31597571 0.04382295 1\n C C5 1 0.33299551 0.81572367 0.54383842 1\n C C6 1 0.05445796 0.77451347 0.86306330 1\n C C7 1 0.69382248 0.81533141 0.54360466 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44496000\n_cell_length_b 3.38252000\n_cell_length_c 8.65710000\n_cell_angle_alpha 122.46896000\n_cell_angle_beta 81.82759000\n_cell_angle_gamma 111.20790000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.18934821\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87241901 0.32078107 0.75105263 1\n C C1 1 0.15898458 0.24132279 0.08933764 1\n C C2 1 0.70913356 0.42970982 0.17982741 1\n C C3 1 0.65765068 0.94048414 0.79645234 1\n C C4 1 0.09427097 -0.09195043 0.89075986 1\n C C5 1 0.36523214 1.01607963 0.45850648 1\n C C6 1 0.43652278 0.35340575 0.65687307 1\n C C7 1 0.81267109 0.82531404 0.36835727 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.18840000\n_cell_length_b 4.44510000\n_cell_length_c 4.32836000\n_cell_angle_alpha 82.24980000\n_cell_angle_beta 75.08633000\n_cell_angle_gamma 73.42719000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.69066124\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46220308 0.36635242 0.78652157 1\n C C1 1 0.64766626 0.65230040 0.31439043 1\n C C2 1 0.33205650 0.65694490 0.62570574 1\n C C3 1 -0.03412185 0.34119063 0.30944686 1\n C C4 1 0.96729284 0.89025948 0.76282741 1\n C C5 1 0.83755246 0.18081179 0.60121261 1\n C C6 1 0.33378819 0.20626805 1.07807168 1\n C C7 1 0.64913703 0.89448363 1.07296400 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42929000\n_cell_length_b 2.42931000\n_cell_length_c 8.77541000\n_cell_angle_alpha 86.16204000\n_cell_angle_beta 102.80921000\n_cell_angle_gamma 59.98832000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.74774493\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62079774 -0.16989235 0.49143741 1\n C C1 1 0.68557427 0.27262525 0.82163064 1\n C C2 1 0.42675730 0.29012124 0.15167527 1\n C C3 1 0.35343973 -0.06103544 0.82244244 1\n C C4 1 0.75989801 0.62421499 0.15133951 1\n C C5 1 0.28739054 0.49657580 0.49174673 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43144000\n_cell_length_b 3.03277000\n_cell_length_c 8.74409000\n_cell_angle_alpha 72.28118000\n_cell_angle_beta 73.81044000\n_cell_angle_gamma 84.58405000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.98128070\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95541092 0.95492288 0.84883222 1\n C C1 1 0.62147210 -0.04637959 0.18259925 1\n C C2 1 0.37167765 -0.04534740 0.93243819 1\n C C3 1 0.45567062 -0.04466473 0.34864277 1\n C C4 1 0.20524474 -0.04604667 0.09893714 1\n C C5 1 0.12207664 0.95607659 0.68207647 1\n C C6 1 0.70582070 0.95651247 0.59844355 1\n C C7 1 0.87195133 0.95496715 0.43225382 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45599000\n_cell_length_b 3.66261000\n_cell_length_c 6.44473000\n_cell_angle_alpha 104.71596000\n_cell_angle_beta 101.00571000\n_cell_angle_gamma 70.43717000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.47657901\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56117454 0.66356533 0.24370315 1\n C C1 1 0.57661945 0.87647804 0.48818142 1\n C C2 1 0.20326422 0.71172775 0.57608375 1\n C C3 1 0.83812768 0.78657161 -0.07951843 1\n C C4 1 0.78954430 0.26077710 0.29409690 1\n C C5 1 0.29597849 0.76283437 0.81327744 1\n C C6 1 0.93570915 -0.16981951 0.15717586 1\n C C7 1 0.35271026 0.28053161 0.44014070 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44373000\n_cell_length_b 6.94499000\n_cell_length_c 7.99015000\n_cell_angle_alpha 96.21026000\n_cell_angle_beta 107.85268000\n_cell_angle_gamma 100.13058000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 125.14831670\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92339536 0.55814199 1.02644222 1\n C C1 1 0.41482915 0.31670667 0.64327242 1\n C C2 1 0.32431413 0.59554298 0.41302035 1\n C C3 1 0.84416437 0.36861832 1.04086020 1\n C C4 1 0.27868133 0.25070216 1.03461453 1\n C C5 1 0.48939717 0.67578969 1.03423199 1\n C C6 1 0.83241937 0.02892017 0.20335157 1\n C C7 1 0.33426060 0.77776812 0.33102555 1\n C C8 1 -0.24869861 -0.18354716 0.22848279 1\n C C9 1 0.18341084 -0.00890744 0.57122953 1\n C C10 1 0.89136876 0.38501190 0.58611740 1\n C C11 1 0.42434680 0.14231223 0.73589590 1\n C C12 1 0.33925615 0.11272454 0.16732553 1\n C C13 1 0.57536609 0.92351001 0.49811507 1\n C C14 1 0.84243721 0.52342551 0.46703041 1\n C C15 1 0.43022665 0.81400523 0.90298573 1\n C C16 1 0.01250166 0.10801117 0.84008135 1\n C C17 1 0.93651886 0.89740530 0.86764166 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53264000\n_cell_length_b 2.45733000\n_cell_length_c 6.43215000\n_cell_angle_alpha 90.03227000\n_cell_angle_beta 98.98490000\n_cell_angle_gamma 90.07193000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.53945486\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14886598 0.98522343 0.40980097 1\n C C1 1 0.31164329 0.48599736 0.74672893 1\n C C2 1 0.43849206 0.48680408 -0.03150936 1\n C C3 1 0.49997655 -0.01299861 0.07518169 1\n C C4 1 0.25221377 0.98565119 0.64032170 1\n C C5 1 0.60815395 -0.01405455 0.30557886 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51154000\n_cell_length_b 5.86931000\n_cell_length_c 4.82383000\n_cell_angle_alpha 96.95536000\n_cell_angle_beta 92.31678000\n_cell_angle_gamma 98.75770000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.63619204\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39535558 0.67697520 0.42940066 1\n C C1 1 0.50525248 0.44504841 0.47959492 1\n C C2 1 0.86180674 0.94415784 0.19837839 1\n C C3 1 -0.04762936 0.18702802 0.07770020 1\n C C4 1 0.31145552 0.78682388 0.16916341 1\n C C5 1 0.19132452 0.63198697 0.88912340 1\n C C6 1 0.87442708 0.08292050 0.48793700 1\n C C7 1 0.36585644 0.04626518 0.65495840 1\n C C8 1 0.29754905 0.79344552 0.67297349 1\n C C9 1 0.59535643 0.47644123 0.81066122 1\n C C10 1 0.96171927 0.31309250 0.37829616 1\n C C11 1 0.46427266 0.22742684 0.91216056 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43076000\n_cell_length_b 2.43061000\n_cell_length_c 8.86586000\n_cell_angle_alpha 105.58652000\n_cell_angle_beta 90.38054000\n_cell_angle_gamma 120.01911000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.05766586\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55060989 1.01530550 0.62509445 1\n C C1 1 0.97547845 0.93157151 0.28601579 1\n C C2 1 0.78416342 0.47503560 -0.04108540 1\n C C3 1 0.11751042 0.14171227 0.95889611 1\n C C4 1 0.21686358 0.34772984 0.62446405 1\n C C5 1 0.64217953 0.26508198 0.28608529 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43219000\n_cell_length_b 4.08785000\n_cell_length_c 6.21015000\n_cell_angle_alpha 69.93340000\n_cell_angle_beta 86.97699000\n_cell_angle_gamma 87.71900000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.89955199\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77211380 0.28384586 0.01388663 1\n C C1 1 0.77190354 0.61630619 0.34682996 1\n C C2 1 0.27195511 0.11619020 0.09631325 1\n C C3 1 -0.22811033 0.61636065 0.84689974 1\n C C4 1 0.77212052 0.28382271 0.51385794 1\n C C5 1 0.27194839 0.11621335 0.59634193 1\n C C6 1 0.27216537 0.78372987 0.76336992 1\n C C7 1 1.27217924 0.78367541 0.26330014 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29963000\n_cell_length_b 3.29995000\n_cell_length_c 6.41715000\n_cell_angle_alpha 125.68096000\n_cell_angle_beta 105.07360000\n_cell_angle_gamma 100.36932000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.66267069\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44837197 0.29527558 0.29859712 1\n C C1 1 0.22625400 0.44285144 0.12503426 1\n C C2 1 0.08522931 0.93202727 0.29870910 1\n C C3 1 0.52297893 0.61441163 0.84055690 1\n C C4 1 0.15251669 1.12379013 0.58350824 1\n C C5 1 0.59015645 0.80622249 0.12540247 1\n C C6 1 0.82602447 -0.20199652 0.58353540 1\n C C7 1 0.84848449 -0.05962151 0.84009071 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47678000\n_cell_length_b 2.47719000\n_cell_length_c 10.36214000\n_cell_angle_alpha 96.86908000\n_cell_angle_beta 89.99268000\n_cell_angle_gamma 59.98255000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.52088333\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56270210 0.90944091 0.82168143 1\n C C1 1 0.10361513 0.84079550 0.22005641 1\n C C2 1 0.64457686 0.74282878 0.57086704 1\n C C3 1 0.78732839 0.47354420 0.17009417 1\n C C4 1 0.91264491 0.20934084 0.77128163 1\n C C5 1 0.51778933 1.00976149 -0.02810443 1\n C C6 1 1.04886160 -0.05776729 0.37044593 1\n C C7 1 0.96096833 0.11014271 0.62134140 1\n C C8 1 0.69861084 0.64208035 0.42081740 1\n C C9 1 -0.16555428 0.37650550 0.02197832 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.67159000\n_cell_length_b 5.29418000\n_cell_length_c 3.64916000\n_cell_angle_alpha 111.16851000\n_cell_angle_beta 88.11846000\n_cell_angle_gamma 114.91211000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.21593852\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95151714 0.11579970 0.97786893 1\n C C1 1 0.25338088 0.42357671 0.01719592 1\n C C2 1 0.44502259 0.61495338 0.42064686 1\n C C3 1 0.25374606 0.42365071 0.63251087 1\n C C4 1 0.75951078 0.92471866 0.57501956 1\n C C5 1 0.95099785 0.11537873 0.36227727 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.32744000\n_cell_length_b 4.98627000\n_cell_length_c 4.98634000\n_cell_angle_alpha 66.90891000\n_cell_angle_beta 65.18326000\n_cell_angle_gamma 65.22785000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.56263016\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33799528 0.46841934 0.48349383 1\n C C1 1 0.33850810 0.74268468 0.20841441 1\n C C2 1 0.36991846 0.26021722 0.31436385 1\n C C3 1 0.69655624 0.45976571 0.47585447 1\n C C4 1 0.66517674 0.94315871 0.36873332 1\n C C5 1 1.01282010 0.02042731 0.76175453 1\n C C6 1 0.69696328 0.73441913 0.20040240 1\n C C7 1 0.37011057 0.57342815 1.00069564 1\n C C8 1 1.01718112 1.01847230 0.24312623 1\n C C9 1 0.01657172 0.50294764 0.75937830 1\n C C10 1 0.66483242 0.62863064 0.68404150 1\n C C11 1 1.01818715 0.18459238 0.44029363 1\n C C12 1 0.02204523 0.18209588 0.92263138 1\n C C13 1 0.01844909 0.69907682 -0.07434541 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44626000\n_cell_length_b 4.57224000\n_cell_length_c 6.37918000\n_cell_angle_alpha 87.48387000\n_cell_angle_beta 101.06090000\n_cell_angle_gamma 105.54819000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.46031722\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66482898 0.35372561 0.64188747 1\n C C1 1 0.67482027 0.82341478 0.18991817 1\n C C2 1 0.88279699 0.13173594 1.30048758 1\n C C3 1 0.08559958 0.68128911 0.15495105 1\n C C4 1 0.30222215 0.29643142 0.97820120 1\n C C5 1 0.20195209 0.30207850 0.76768135 1\n C C6 1 0.80410596 0.68470842 0.58992693 1\n C C7 1 0.89134656 0.34822332 0.10464213 1\n C C8 1 0.45637913 0.13277276 0.44559187 1\n C C9 1 0.35886589 0.82654975 0.55555755 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43358000\n_cell_length_b 3.11945000\n_cell_length_c 6.40546000\n_cell_angle_alpha 95.60343000\n_cell_angle_beta 79.26799000\n_cell_angle_gamma 68.30036000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.64588783\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29835119 0.85892161 0.50511964 1\n C C1 1 0.96690553 0.85561850 0.17143208 1\n C C2 1 0.07921345 0.85091916 0.94909731 1\n C C3 1 0.40970650 -0.14399261 0.28292112 1\n C C4 1 0.63527949 0.85288867 0.83750691 1\n C C5 1 0.74380203 0.85475037 0.61574624 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48450000\n_cell_length_b 4.08771000\n_cell_length_c 4.67625000\n_cell_angle_alpha 83.28582000\n_cell_angle_beta 105.37503000\n_cell_angle_gamma 90.02485000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45470030\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10483810 0.86826365 0.61608569 1\n C C1 1 0.53253049 0.74914379 0.47237141 1\n C C2 1 0.87463209 0.15621945 0.15971180 1\n C C3 1 0.26140263 0.68726702 -0.06890853 1\n C C4 1 0.76027216 0.46262382 0.92914625 1\n C C5 1 0.37368066 0.92987710 0.15744794 1\n C C6 1 0.58929320 0.39314710 0.58815290 1\n C C7 1 0.04559736 0.22370138 0.50160615 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48133000\n_cell_length_b 3.68860000\n_cell_length_c 4.89533000\n_cell_angle_alpha 67.07298000\n_cell_angle_beta 59.49107000\n_cell_angle_gamma 70.36138000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00809036\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78036664 0.52240114 0.42374077 1\n C C1 1 0.07033858 0.67935903 0.55496371 1\n C C2 1 0.03210607 0.76395249 0.05114642 1\n C C3 1 0.75920308 0.16197653 0.12632804 1\n C C4 1 0.05507653 0.12450711 0.34856711 1\n C C5 1 0.74070369 0.60724490 0.92024565 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40025000\n_cell_length_b 3.39899000\n_cell_length_c 5.23045000\n_cell_angle_alpha 116.72289000\n_cell_angle_beta 116.74007000\n_cell_angle_gamma 93.86728000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.37818890\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91762000 0.61740333 0.80740724 1\n C C1 1 0.56400511 0.26350939 0.81063561 1\n C C2 1 0.14484481 0.36372998 0.36230191 1\n C C3 1 0.67128836 0.37104261 0.14891226 1\n C C4 1 0.66405285 0.84477275 0.36222433 1\n C C5 1 0.31739595 1.01753197 1.15213543 1\n C C6 1 0.57113707 0.78988838 0.59721905 1\n C C7 1 0.09023206 0.27071728 0.59736747 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47592000\n_cell_length_b 4.23351000\n_cell_length_c 7.01645000\n_cell_angle_alpha 103.90309000\n_cell_angle_beta 100.15248000\n_cell_angle_gamma 90.00173000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.20364069\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07475864 0.28328465 0.35380928 1\n C C1 1 0.62004541 0.97177248 0.74358461 1\n C C2 1 0.86645324 0.55753050 0.23617431 1\n C C3 1 0.51980017 0.73207740 0.53850853 1\n C C4 1 1.13064786 0.49890877 0.76778377 1\n C C5 1 0.40474557 0.75413717 0.31463076 1\n C C6 1 0.76952925 0.31734453 0.03833120 1\n C C7 1 1.02634246 0.52287253 0.55171139 1\n C C8 1 0.38532978 0.08692480 0.27572337 1\n C C9 1 0.27623536 0.10806828 0.05168541 1\n C C10 1 0.17137673 0.86854769 0.84633696 1\n C C11 1 0.65745391 0.34124072 0.82170672 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48850000\n_cell_length_b 3.36422000\n_cell_length_c 8.84761000\n_cell_angle_alpha 79.03284000\n_cell_angle_beta 66.77524000\n_cell_angle_gamma 90.00093000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.35455990\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82580275 0.81316030 0.90986738 1\n C C1 1 0.49096675 0.30315429 0.58052020 1\n C C2 1 0.62323071 0.27739554 0.29434193 1\n C C3 1 0.63904557 0.87968630 0.08843533 1\n C C4 1 -0.06714756 0.61269972 0.29452143 1\n C C5 1 0.63105881 1.01823616 0.69118205 1\n C C6 1 0.26214636 0.68912951 0.80927140 1\n C C7 1 0.76305180 0.68178666 0.47285964 1\n C C8 1 0.49696537 0.46312010 0.90988972 1\n C C9 1 0.76911256 0.19232042 0.80235535 1\n C C10 1 0.43441216 0.03175832 0.47289832 1\n C C11 1 0.89266248 1.00209148 0.17999782 1\n C C12 1 0.13062699 0.47745063 0.69147118 1\n C C13 1 0.36924708 0.48999196 0.20296986 1\n C C14 1 -0.00147926 0.80660575 0.57313793 1\n C C15 1 0.32851453 0.21515697 0.08841015 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.95485000\n_cell_length_b 4.92553000\n_cell_length_c 6.20170000\n_cell_angle_alpha 62.78816000\n_cell_angle_beta 97.92571000\n_cell_angle_gamma 86.54308000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 105.36184212\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32022236 0.08497790 0.42655543 1\n C C1 1 0.73033229 0.47097444 0.30323218 1\n C C2 1 0.40589586 0.06690755 0.20135933 1\n C C3 1 0.28393019 0.81244252 0.63759647 1\n C C4 1 0.19594071 0.84257590 0.14402586 1\n C C5 1 0.66791320 0.05921899 0.75849366 1\n C C6 1 0.41139667 0.62642298 0.08496225 1\n C C7 1 0.57615414 0.24306308 0.51012158 1\n C C8 1 -0.02919036 0.26446755 0.25246987 1\n C C9 1 0.47571264 0.80946520 0.83659481 1\n C C10 1 0.94573012 0.70249308 0.34015162 1\n C C11 1 0.89462841 0.09851007 0.94006910 1\n C C12 1 0.77036813 0.04215348 0.18844044 1\n C C13 1 1.07192306 0.60951955 0.60721519 1\n C C14 1 1.02348271 0.39690896 0.83054046 1\n C C15 1 0.19647766 0.39199887 1.05741676 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43369000\n_cell_length_b 4.22378000\n_cell_length_c 4.81578000\n_cell_angle_alpha 90.58188000\n_cell_angle_beta 75.34964000\n_cell_angle_gamma 106.71061000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.76642860\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68283069 0.97993129 0.80804165 1\n C C1 1 0.76848979 0.67848073 0.33625066 1\n C C2 1 0.46599353 0.61242672 0.87078700 1\n C C3 1 0.82072318 0.50521095 0.05526792 1\n C C4 1 0.38174575 0.91413798 0.34320569 1\n C C5 1 0.32713755 0.08751673 0.62391216 1\n C C6 1 0.62481824 0.14053646 1.08363276 1\n C C7 1 0.52553837 0.45193463 0.59553235 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47339000\n_cell_length_b 5.45941000\n_cell_length_c 4.23367000\n_cell_angle_alpha 89.98466000\n_cell_angle_beta 90.00090000\n_cell_angle_gamma 90.01113000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.16830172\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73001511 0.14763524 0.93088300 1\n C C1 1 0.22984591 1.04325768 0.77347532 1\n C C2 1 0.23037927 0.78135525 0.90994580 1\n C C3 1 0.23015547 1.12785340 0.43399700 1\n C C4 1 0.73040906 0.52089564 0.26233513 1\n C C5 1 0.73059060 0.78129701 0.13164891 1\n C C6 1 -0.26982403 0.04144302 0.26230160 1\n C C7 1 0.23029203 0.43340848 0.43378407 1\n C C8 1 0.73011215 0.41533404 0.93075984 1\n C C9 1 1.23010114 0.51939573 0.77314943 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46348000\n_cell_length_b 3.39092000\n_cell_length_c 5.83215000\n_cell_angle_alpha 78.35897000\n_cell_angle_beta 64.97993000\n_cell_angle_gamma 68.60285000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.03887223\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63976586 0.87686192 0.79907124 1\n C C1 1 0.41272311 0.13405206 0.39797853 1\n C C2 1 0.17164267 0.06418198 0.67342033 1\n C C3 1 0.02234600 1.16836084 0.27187123 1\n C C4 1 0.79445966 0.42436410 0.87094144 1\n C C5 1 0.26316470 0.23776950 -0.00351987 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33615000\n_cell_length_b 5.54378000\n_cell_length_c 5.80505000\n_cell_angle_alpha 54.96906000\n_cell_angle_beta 56.85250000\n_cell_angle_gamma 80.67216000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.78064914\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75647305 0.08254736 0.30307743 1\n C C1 1 0.19380185 0.73836509 0.25877547 1\n C C2 1 0.73892594 0.76790486 0.47113138 1\n C C3 1 0.37427269 0.21058188 0.43266525 1\n C C4 1 0.21899306 0.24958840 -0.01156557 1\n C C5 1 0.31197217 0.56296989 0.78807432 1\n C C6 1 0.94698441 0.00561461 0.74930745 1\n C C7 1 0.49109450 1.03457932 -0.03915173 1\n C C8 1 0.46692375 0.52379039 0.23193812 1\n C C9 1 -0.07015982 0.69103910 0.91761698 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45251000\n_cell_length_b 4.59199000\n_cell_length_c 5.89783000\n_cell_angle_alpha 88.72761000\n_cell_angle_beta 114.59591000\n_cell_angle_gamma 105.49168000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.89922220\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53142435 0.02201081 0.55028149 1\n C C1 1 0.50506968 0.30040051 0.88425486 1\n C C2 1 0.36247370 0.94892212 0.91776137 1\n C C3 1 0.85192908 0.52048304 0.12083102 1\n C C4 1 0.78629402 0.54476296 0.54246346 1\n C C5 1 0.03561217 0.85708494 0.63559343 1\n C C6 1 0.30598062 1.09093904 0.29067508 1\n C C7 1 0.96599995 0.86345454 0.06425060 1\n C C8 1 0.84680063 0.31746950 0.71804036 1\n C C9 1 0.45863911 0.42997253 0.27174533 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42663000\n_cell_length_b 6.32030000\n_cell_length_c 5.63122000\n_cell_angle_alpha 84.09625000\n_cell_angle_beta 78.01728000\n_cell_angle_gamma 101.31504000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.90866300\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88316672 0.22811536 0.75888870 1\n C C1 1 0.53452557 0.05951495 0.30493106 1\n C C2 1 -0.04067583 0.94536841 0.33451477 1\n C C3 1 0.60248199 0.77381236 -0.12224673 1\n C C4 1 0.20927748 0.61475438 0.49864775 1\n C C5 1 0.01371766 0.46928277 0.74625563 1\n C C6 1 0.28544304 0.38835134 0.13554479 1\n C C7 1 0.47632446 0.53327318 0.88846452 1\n C C8 1 0.69751880 0.28268458 0.20599352 1\n C C9 1 0.16784175 0.88555489 0.85486369 1\n C C10 1 0.79750688 0.72137771 0.42936385 1\n C C11 1 0.31518208 0.11625297 0.78553706 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48170000\n_cell_length_b 3.68855000\n_cell_length_c 4.89838000\n_cell_angle_alpha 66.79216000\n_cell_angle_beta 59.55959000\n_cell_angle_gamma 70.31053000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99298617\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87075558 0.13565337 0.39929192 1\n C C1 1 0.88669733 0.68953849 0.60639879 1\n C C2 1 0.20269358 0.20234853 1.03465482 1\n C C3 1 0.91137670 1.04579256 0.90392313 1\n C C4 1 0.16142409 0.29276959 0.52981206 1\n C C5 1 0.18638842 0.64857995 0.82785857 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52284000\n_cell_length_b 4.45469000\n_cell_length_c 4.30627000\n_cell_angle_alpha 76.90953000\n_cell_angle_beta 85.37933000\n_cell_angle_gamma 97.55614000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.42280157\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.21052360 1.01662025 1.05206818 1\n C C1 1 1.15161419 0.32431933 0.53887536 1\n C C2 1 0.69045677 0.44514953 0.33894764 1\n C C3 1 0.28025917 0.47773620 0.81984991 1\n C C4 1 0.63992299 0.78601745 0.30841635 1\n C C5 1 0.45247625 0.81731320 0.64182437 1\n C C6 1 -0.02317388 0.98447113 0.71885037 1\n C C7 1 0.74151961 0.35727832 0.02028721 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48184000\n_cell_length_b 4.21855000\n_cell_length_c 3.68882000\n_cell_angle_alpha 104.91916000\n_cell_angle_beta 109.64218000\n_cell_angle_gamma 89.94590000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99175629\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66631774 0.76634843 0.35839449 1\n C C1 1 0.46770043 0.84241602 0.96111169 1\n C C2 1 0.92583026 0.33779037 0.87247886 1\n C C3 1 0.34764189 0.46859341 0.71583748 1\n C C4 1 0.14606382 0.54396823 0.31796073 1\n C C5 1 0.88893626 -0.02714966 0.80372335 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.21954000\n_cell_length_b 2.48124000\n_cell_length_c 4.83901000\n_cell_angle_alpha 104.90991000\n_cell_angle_beta 132.55213000\n_cell_angle_gamma 89.96286000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97920522\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12967858 0.58026004 0.20730685 1\n C C1 1 0.47371318 0.90095233 0.84931489 1\n C C2 1 0.71316444 0.12547979 0.29530750 1\n C C3 1 0.41708527 0.15864897 0.36409623 1\n C C4 1 0.00068202 0.70396201 0.45184683 1\n C C5 1 0.65618391 0.38120705 0.80988241 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46729000\n_cell_length_b 4.17269000\n_cell_length_c 8.51892000\n_cell_angle_alpha 90.48152000\n_cell_angle_beta 74.44364000\n_cell_angle_gamma 90.03723000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 84.48833214\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22232408 0.17857248 0.62895704 1\n C C1 1 0.71481555 0.12318798 -0.04176282 1\n C C2 1 0.63265823 0.86151335 0.28028050 1\n C C3 1 -0.27791447 1.01319348 0.62930822 1\n C C4 1 0.71866213 0.67863047 0.63354755 1\n C C5 1 0.21675117 0.12312521 -0.04239028 1\n C C6 1 0.13159080 0.36192498 0.28178112 1\n C C7 1 0.63016138 0.19584844 0.28338570 1\n C C8 1 0.21863156 0.51352598 0.63351858 1\n C C9 1 0.13363407 0.69552564 0.27915759 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37095000\n_cell_length_b 4.29858000\n_cell_length_c 5.13212000\n_cell_angle_alpha 65.18554000\n_cell_angle_beta 93.78123000\n_cell_angle_gamma 89.88974000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.31693820\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07674779 0.62932237 0.22154776 1\n C C1 1 0.03514697 0.33007819 0.49021510 1\n C C2 1 1.03582483 0.01576483 0.49020381 1\n C C3 1 0.73265071 0.75519057 -0.02724471 1\n C C4 1 0.07709328 0.98480183 0.22177688 1\n C C5 1 0.34933398 0.23679535 0.00897283 1\n C C6 1 0.34957343 0.58998799 1.00894838 1\n C C7 1 0.00293062 0.36076710 0.75911772 1\n C C8 1 0.73280016 0.10799684 -0.02715080 1\n C C9 1 0.00334282 0.71627032 0.75917903 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48278000\n_cell_length_b 5.22956000\n_cell_length_c 6.35693000\n_cell_angle_alpha 102.40400000\n_cell_angle_beta 106.41871000\n_cell_angle_gamma 110.85311000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.25388847\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17532616 0.94843336 0.85825299 1\n C C1 1 0.65255731 0.39805748 0.91666196 1\n C C2 1 0.25892370 0.68479873 0.53176368 1\n C C3 1 0.21102365 0.12707740 0.69567147 1\n C C4 1 1.47119200 0.76125735 0.80076656 1\n C C5 1 0.27632610 0.24778445 0.22410996 1\n C C6 1 0.58113013 0.77442621 0.21593812 1\n C C7 1 0.57472694 0.57102867 0.38621869 1\n C C8 1 0.26034463 0.97412435 0.30028874 1\n C C9 1 0.32746574 0.58103430 0.95450611 1\n C C10 1 0.62919415 0.21441869 0.07446725 1\n C C11 1 0.52131249 0.01944400 0.55412989 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47378000\n_cell_length_b 3.28894000\n_cell_length_c 6.08802000\n_cell_angle_alpha 89.98010000\n_cell_angle_beta 89.98894000\n_cell_angle_gamma 67.86297000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.88152380\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66213692 1.02930215 0.44764694 1\n C C1 1 0.16182807 1.02954810 0.58660349 1\n C C2 1 1.16187774 0.02949470 0.94765074 1\n C C3 1 0.84337946 0.66773688 0.26720259 1\n C C4 1 0.48157074 0.39037684 0.26714244 1\n C C5 1 0.66204293 1.02943077 0.08659040 1\n C C6 1 0.98070461 0.39066006 -0.23282774 1\n C C7 1 0.34249474 0.66802922 0.76724704 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.24840000\n_cell_length_b 3.64028000\n_cell_length_c 3.30104000\n_cell_angle_alpha 86.50706000\n_cell_angle_beta 101.66608000\n_cell_angle_gamma 118.52963000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.88832651\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08125696 0.59674416 0.19273528 1\n C C1 1 0.58200559 1.03792299 0.69108694 1\n C C2 1 0.58169133 0.65728681 0.69139268 1\n C C3 1 0.27424503 0.38331211 0.38530751 1\n C C4 1 0.27478085 1.00318412 0.38537773 1\n C C5 1 0.77519785 0.44434161 0.88379335 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43058000\n_cell_length_b 4.79974000\n_cell_length_c 5.89136000\n_cell_angle_alpha 103.19396000\n_cell_angle_beta 74.33778000\n_cell_angle_gamma 70.30028000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.31278847\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73845659 -0.03615955 0.03400321 1\n C C1 1 0.73983593 0.29622291 0.69963500 1\n C C2 1 0.23946908 0.71282634 0.28344069 1\n C C3 1 0.23864716 0.21361055 0.78396590 1\n C C4 1 1.23963970 0.04668800 -0.04993612 1\n C C5 1 -0.26087246 0.46287884 0.53333373 1\n C C6 1 0.24066452 0.54543744 0.44922897 1\n C C7 1 0.74005007 0.79608228 0.19952523 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44138000\n_cell_length_b 4.61492000\n_cell_length_c 6.33230000\n_cell_angle_alpha 93.93759000\n_cell_angle_beta 90.50940000\n_cell_angle_gamma 105.30357000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.62527831\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22553405 0.56055431 0.32158699 1\n C C1 1 0.12442657 0.35123528 0.50227876 1\n C C2 1 1.19825426 0.47273098 0.10654761 1\n C C3 1 0.29985989 0.68191562 0.92450711 1\n C C4 1 0.66768575 0.43177988 0.62317939 1\n C C5 1 0.95787541 0.02403256 0.43329611 1\n C C6 1 0.03872831 0.15505688 0.02676552 1\n C C7 1 0.38370235 0.87845362 0.39816792 1\n C C8 1 0.75753683 0.60188082 0.80326445 1\n C C9 1 0.46477987 1.00970454 0.99080763 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42947000\n_cell_length_b 5.77943000\n_cell_length_c 6.21516000\n_cell_angle_alpha 121.86016000\n_cell_angle_beta 89.43805000\n_cell_angle_gamma 103.34352000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.45258912\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53174951 1.09595763 0.51717867 1\n C C1 1 0.79288582 0.62671867 0.58313131 1\n C C2 1 0.13083164 0.29570302 0.91716247 1\n C C3 1 0.19523349 0.42733657 0.18333255 1\n C C4 1 0.32673986 0.69483655 0.71700022 1\n C C5 1 0.72787210 0.49495680 0.31695372 1\n C C6 1 0.59771347 1.22783801 0.78337792 1\n C C7 1 0.39378923 0.82675367 -0.01677512 1\n C C8 1 -0.00308040 0.02746542 0.38337482 1\n C C9 1 0.92924519 0.89546616 0.11718057 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42982000\n_cell_length_b 2.42993000\n_cell_length_c 8.41657000\n_cell_angle_alpha 88.80818000\n_cell_angle_beta 90.31236000\n_cell_angle_gamma 59.98902000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.01488529\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18390490 0.28483031 0.79595679 1\n C C1 1 0.79974384 -0.02422789 0.46524580 1\n C C2 1 0.05580917 0.31133496 0.13573999 1\n C C3 1 0.46581429 0.64251501 0.46415252 1\n C C4 1 0.38891692 0.64483304 0.13667145 1\n C C5 1 0.85099068 0.95138347 0.79504665 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48070000\n_cell_length_b 4.21841000\n_cell_length_c 3.68878000\n_cell_angle_alpha 75.18950000\n_cell_angle_beta 70.34261000\n_cell_angle_gamma 90.01249000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98633190\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64533381 1.03219751 0.70687661 1\n C C1 1 0.22353348 0.90120707 0.55018545 1\n C C2 1 0.44870303 0.10795301 0.10443244 1\n C C3 1 0.19187848 0.53614749 0.62053605 1\n C C4 1 0.96758598 0.32973047 1.06626919 1\n C C5 1 0.77015393 0.40508256 0.46385215 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.22477000\n_cell_length_b 3.87331000\n_cell_length_c 4.56481000\n_cell_angle_alpha 84.72293000\n_cell_angle_beta 102.18808000\n_cell_angle_gamma 93.23530000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.65206626\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96368200 0.14244866 0.10536402 1\n C C1 1 0.36461444 0.74620331 0.21413636 1\n C C2 1 -0.25376192 0.36203415 0.45894809 1\n C C3 1 0.72196009 0.38540141 -0.03143438 1\n C C4 1 0.17499837 0.93089426 0.65992140 1\n C C5 1 0.59628184 0.51865812 1.18443252 1\n C C6 1 0.37622320 0.73427266 0.53684034 1\n C C7 1 0.16312649 0.94341692 -0.01843058 1\n C C8 1 0.61580946 0.48802333 0.67501608 1\n C C9 1 0.97664063 1.13321698 0.42885615 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46288000\n_cell_length_b 4.24784000\n_cell_length_c 4.24871000\n_cell_angle_alpha 100.42320000\n_cell_angle_beta 89.99759000\n_cell_angle_gamma 90.00043000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.71616959\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15958265 0.12187355 0.39736056 1\n C C1 1 0.65951545 0.28555992 0.56124377 1\n C C2 1 -0.20962555 0.28367677 -0.07446353 1\n C C3 1 0.40961853 0.77223207 0.91069081 1\n C C4 1 1.03213752 0.75830448 0.39936053 1\n C C5 1 0.53215642 0.64965576 0.55895746 1\n C C6 1 0.29037697 0.12421199 0.03306939 1\n C C7 1 0.90965130 0.63612637 0.04756172 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45711000\n_cell_length_b 3.39262000\n_cell_length_c 5.33105000\n_cell_angle_alpha 97.63709000\n_cell_angle_beta 89.99188000\n_cell_angle_gamma 69.17331000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.11380930\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48919530 0.02028702 0.18449609 1\n C C1 1 0.05872446 -0.11760761 0.50540738 1\n C C2 1 0.52389769 0.96018351 0.90850576 1\n C C3 1 0.89027743 0.22015053 0.31255672 1\n C C4 1 1.03251588 0.94268594 0.78170005 1\n C C5 1 0.65773964 0.68081641 0.37835930 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48649000\n_cell_length_b 5.31213000\n_cell_length_c 4.76214000\n_cell_angle_alpha 87.89039000\n_cell_angle_beta 121.52350000\n_cell_angle_gamma 117.88354000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.55684627\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53331717 0.39173077 0.07551825 1\n C C1 1 0.09929232 0.92481805 0.10768224 1\n C C2 1 0.79431571 0.69452426 0.53391133 1\n C C3 1 1.07412571 0.69954585 0.30858415 1\n C C4 1 0.37904289 0.92995638 0.88231435 1\n C C5 1 0.45585871 0.34746808 0.54198086 1\n C C6 1 0.64008420 0.23290970 0.34080625 1\n C C7 1 0.71780608 0.27724581 0.87442478 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51831000\n_cell_length_b 3.51694000\n_cell_length_c 3.32038000\n_cell_angle_alpha 90.00289000\n_cell_angle_beta 90.00990000\n_cell_angle_gamma 59.96060000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.56681003\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.21406442 0.65677282 0.73546844 1\n C C1 1 0.67831847 0.42488925 0.56989896 1\n C C2 1 0.67846009 0.12093074 0.23540571 1\n C C3 1 0.21417365 0.35288744 0.06993474 1\n C C4 1 0.91046538 0.65675347 0.40306694 1\n C C5 1 -0.01802711 0.12103239 0.90306521 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50374000\n_cell_length_b 6.72780000\n_cell_length_c 6.60733000\n_cell_angle_alpha 120.15164000\n_cell_angle_beta 79.08182000\n_cell_angle_gamma 89.99908000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.90210840\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59570443 0.27581905 0.15212040 1\n C C1 1 0.82171143 0.97869667 0.69214628 1\n C C2 1 0.22012044 0.79902088 0.89424238 1\n C C3 1 0.97491397 0.09893827 0.38465939 1\n C C4 1 0.35276677 0.63698783 0.63602371 1\n C C5 1 0.55125893 1.07992892 0.23241450 1\n C C6 1 0.05259584 0.65109101 0.23139800 1\n C C7 1 0.30430190 0.88132556 0.72672237 1\n C C8 1 0.90376634 0.50702608 0.53307790 1\n C C9 1 -0.13158999 0.33032830 0.60458552 1\n C C10 1 0.95256082 0.90751708 0.43566725 1\n C C11 1 0.65312668 0.82836612 0.02781499 1\n C C12 1 0.62817278 0.62996006 0.07957991 1\n C C13 1 0.72088647 0.21907513 0.89329900 1\n C C14 1 1.03697262 0.42990672 0.26929795 1\n C C15 1 0.74410029 0.39473063 0.84684615 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48471000\n_cell_length_b 5.48679000\n_cell_length_c 4.59927000\n_cell_angle_alpha 69.48092000\n_cell_angle_beta 105.66378000\n_cell_angle_gamma 89.97879000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.22856582\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38677624 0.63707480 1.01224309 1\n C C1 1 0.41300443 0.35167451 0.06110070 1\n C C2 1 1.12865379 0.39688845 0.49429227 1\n C C3 1 0.29769923 0.20742811 0.83060586 1\n C C4 1 0.57889827 0.57176230 0.39546950 1\n C C5 1 0.03912850 0.96880394 0.31232220 1\n C C6 1 0.84825069 0.03318533 -0.07005603 1\n C C7 1 1.01541409 0.25334306 0.26381818 1\n C C8 1 -0.19533789 0.78498774 -0.15215295 1\n C C9 1 0.62104524 0.82113685 0.47676469 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51055000\n_cell_length_b 4.29737000\n_cell_length_c 6.39776000\n_cell_angle_alpha 81.31823000\n_cell_angle_beta 86.62731000\n_cell_angle_gamma 92.99404000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.98411429\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73197732 0.37418824 0.65847003 1\n C C1 1 0.67935071 1.02328758 0.34674214 1\n C C2 1 0.70417238 0.05481846 0.58480955 1\n C C3 1 0.21190209 0.16965891 0.22985208 1\n C C4 1 0.25543252 0.56644600 0.58664686 1\n C C5 1 0.63269438 0.62509242 -0.01218053 1\n C C6 1 0.69741373 0.31722277 0.89963879 1\n C C7 1 0.42853734 0.51272616 0.21077901 1\n C C8 1 0.15473939 0.81714629 0.91726142 1\n C C9 1 0.18769014 0.13735518 0.99040702 1\n C C10 1 0.46316436 0.68080362 0.36367388 1\n C C11 1 0.19445275 0.87417187 0.67529936 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42658000\n_cell_length_b 4.22805000\n_cell_length_c 4.22975000\n_cell_angle_alpha 93.42835000\n_cell_angle_beta 89.92375000\n_cell_angle_gamma 89.88849000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.31818202\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42108714 0.18655847 0.81756739 1\n C C1 1 0.42181796 0.53660347 -0.12110420 1\n C C2 1 0.92174745 0.67949330 0.73587302 1\n C C3 1 0.42243915 0.59819983 0.22886684 1\n C C4 1 0.92222616 0.61867455 0.38609203 1\n C C5 1 -0.07864337 0.02937767 0.79672302 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42775000\n_cell_length_b 3.77587000\n_cell_length_c 6.06319000\n_cell_angle_alpha 87.58156000\n_cell_angle_beta 103.42251000\n_cell_angle_gamma 126.06089000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.38710525\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89777946 0.33686141 0.66907636 1\n C C1 1 0.56368349 0.44658221 0.78079772 1\n C C2 1 0.56340653 0.77964698 0.11406521 1\n C C3 1 0.56353395 0.11310931 0.44743242 1\n C C4 1 0.89761450 0.67003748 1.00241044 1\n C C5 1 -0.10253932 0.00323591 0.33567864 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.61043000\n_cell_length_b 3.67774000\n_cell_length_c 4.65041000\n_cell_angle_alpha 113.30212000\n_cell_angle_beta 105.46111000\n_cell_angle_gamma 89.99387000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.23970800\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43178201 -0.01314017 0.44095005 1\n C C1 1 0.26299867 0.32545700 0.11797996 1\n C C2 1 0.26325879 0.95108127 0.11832596 1\n C C3 1 0.43167226 0.61209175 0.44101872 1\n C C4 1 0.14836116 0.52264662 0.88617019 1\n C C5 1 0.54896822 0.41623913 0.67397092 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47383000\n_cell_length_b 4.94545000\n_cell_length_c 4.11744000\n_cell_angle_alpha 89.99058000\n_cell_angle_beta 89.95936000\n_cell_angle_gamma 59.97090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61200319\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10601252 0.82728884 0.24122489 1\n C C1 1 0.10606577 0.32720818 0.61619287 1\n C C2 1 0.10601252 0.32728884 0.24122489 1\n C C3 1 1.10606577 0.82720818 0.61619287 1\n C C4 1 0.77257827 0.66057114 0.74122654 1\n C C5 1 0.77275610 1.16061884 0.11619856 1\n C C6 1 0.77275610 0.66061884 0.11619856 1\n C C7 1 0.77257827 0.16057114 0.74122654 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.75687000\n_cell_length_b 4.41751000\n_cell_length_c 6.27448000\n_cell_angle_alpha 83.84126000\n_cell_angle_beta 117.87113000\n_cell_angle_gamma 93.86382000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 115.85964026\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77414763 0.36457000 0.43975067 1\n C C1 1 0.39445150 0.77212314 0.82087257 1\n C C2 1 0.64747062 0.16231300 0.56222191 1\n C C3 1 0.39441804 0.10342958 0.82136830 1\n C C4 1 0.00987143 0.59502226 0.21624598 1\n C C5 1 -0.08294078 0.81087033 0.30617592 1\n C C6 1 0.64808735 0.83312166 0.56669765 1\n C C7 1 0.27164147 0.57140775 0.95040303 1\n C C8 1 0.92390926 0.32568223 0.29208908 1\n C C9 1 0.27093804 0.24209412 0.95358650 1\n C C10 1 0.52129790 0.63360390 0.69350261 1\n C C11 1 0.77262871 0.68691013 0.44627507 1\n C C12 1 0.99762623 0.07917786 0.22478787 1\n C C13 1 1.14900134 1.03939250 1.07890138 1\n C C14 1 0.15220115 0.71776614 0.07427956 1\n C C15 1 0.52115221 0.30258359 0.69232649 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50259000\n_cell_length_b 5.06301000\n_cell_length_c 7.28937000\n_cell_angle_alpha 94.89178000\n_cell_angle_beta 84.22492000\n_cell_angle_gamma 114.48952000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.52846172\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37373388 0.26536609 0.84299072 1\n C C1 1 0.74402585 0.95178792 0.59044412 1\n C C2 1 -0.10799659 0.51825027 0.31074747 1\n C C3 1 -0.03558020 0.11381234 0.41686259 1\n C C4 1 0.43961804 0.04753514 0.29259685 1\n C C5 1 0.61761802 0.70310622 0.07296795 1\n C C6 1 0.64192449 0.78918823 0.88435773 1\n C C7 1 0.49046519 0.64535696 0.58894343 1\n C C8 1 0.30336944 0.45895335 0.42245018 1\n C C9 1 0.34657521 0.35519775 1.05094790 1\n C C10 1 0.15492838 0.76787134 0.19227167 1\n C C11 1 0.76773035 0.06980848 0.78989761 1\n C C12 1 0.73803946 0.28477274 0.15962116 1\n C C13 1 0.52895569 0.55531446 0.76132633 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.75362000\n_cell_length_b 6.46589000\n_cell_length_c 4.06323000\n_cell_angle_alpha 113.48719000\n_cell_angle_beta 101.84040000\n_cell_angle_gamma 118.33418000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.97184015\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62755805 0.13031992 0.75381957 1\n C C1 1 0.30689972 0.30929668 0.11684050 1\n C C2 1 0.45150147 0.79923344 0.09505069 1\n C C3 1 0.19279090 0.43377888 0.36265214 1\n C C4 1 0.83943283 0.34243579 0.17894121 1\n C C5 1 0.66925277 0.43403003 0.36431207 1\n C C6 1 0.79181412 0.63967041 0.77490366 1\n C C7 1 0.48225585 0.63910327 0.77551996 1\n C C8 1 0.74122313 0.00537229 0.50794521 1\n C C9 1 1.14203419 0.79892762 0.09542413 1\n C C10 1 0.09470780 0.09654226 0.69130927 1\n C C11 1 0.26471787 0.00457523 0.50626648 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45792000\n_cell_length_b 6.33835000\n_cell_length_c 7.07335000\n_cell_angle_alpha 118.03777000\n_cell_angle_beta 76.72956000\n_cell_angle_gamma 97.09270000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 94.65114581\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73725059 0.62933527 0.57782592 1\n C C1 1 0.48342044 0.52873306 0.22135335 1\n C C2 1 0.02694374 0.40117898 0.11983061 1\n C C3 1 0.33032003 0.66451684 0.47097581 1\n C C4 1 0.70406851 0.08476205 0.81452801 1\n C C5 1 0.39758681 0.90712131 0.47051254 1\n C C6 1 0.59403893 0.38975249 0.57114911 1\n C C7 1 0.68360832 0.83030134 0.81508648 1\n C C8 1 -0.11564422 0.04913379 0.57740035 1\n C C9 1 0.12293708 0.81912729 0.92801066 1\n C C10 1 0.49259297 0.79111549 0.22080158 1\n C C11 1 1.04046524 0.28253219 0.57135138 1\n C C12 1 0.15051659 1.20873806 -0.07261366 1\n C C13 1 1.05173147 0.81689014 0.11951804 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44660000\n_cell_length_b 3.64381000\n_cell_length_c 9.11359000\n_cell_angle_alpha 106.03768000\n_cell_angle_beta 66.26316000\n_cell_angle_gamma 109.59495000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.12023988\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46196415 0.97285056 0.91644985 1\n C C1 1 0.67422491 0.14972057 0.16704007 1\n C C2 1 0.62457931 0.40956427 0.95422373 1\n C C3 1 0.15995405 0.92412563 0.10149878 1\n C C4 1 1.13914134 0.60692845 0.67481960 1\n C C5 1 0.99941863 0.48739546 0.06326643 1\n C C6 1 0.47548801 0.28841938 0.34375966 1\n C C7 1 0.72057205 0.52940361 0.59446417 1\n C C8 1 0.94764281 0.74756851 0.85104252 1\n C C9 1 -0.10781137 0.36361566 0.42419701 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58098000\n_cell_length_b 4.64230000\n_cell_length_c 5.51531000\n_cell_angle_alpha 78.21958000\n_cell_angle_beta 131.92485000\n_cell_angle_gamma 101.27929000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.97223412\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60267847 0.19687454 0.15612152 1\n C C1 1 0.52168407 0.41075642 0.67886825 1\n C C2 1 0.96822784 0.47335603 0.31158703 1\n C C3 1 0.60597133 -0.05687982 0.33260558 1\n C C4 1 0.88473810 0.94042443 0.65800490 1\n C C5 1 0.33919457 0.65738453 0.19291620 1\n C C6 1 -0.11353281 0.68693962 0.83444351 1\n C C7 1 0.15016903 0.22647615 0.79752471 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48744000\n_cell_length_b 3.60365000\n_cell_length_c 7.31265000\n_cell_angle_alpha 82.83676000\n_cell_angle_beta 99.80584000\n_cell_angle_gamma 110.20370000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.46364281\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64372848 0.79511148 0.30567900 1\n C C1 1 0.47618162 0.00070975 0.76653212 1\n C C2 1 0.90851007 0.62024327 0.00977160 1\n C C3 1 0.88692158 0.23472004 0.35117769 1\n C C4 1 0.04612407 0.01478287 0.89196632 1\n C C5 1 0.27733679 0.43075009 0.93540803 1\n C C6 1 1.01854344 0.63511040 0.21419272 1\n C C7 1 0.51344602 0.39256778 0.44355911 1\n C C8 1 0.24866168 0.58406305 0.72434367 1\n C C9 1 0.61841604 0.39736817 0.64930784 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42523000\n_cell_length_b 4.21466000\n_cell_length_c 4.86654000\n_cell_angle_alpha 89.87105000\n_cell_angle_beta 60.12963000\n_cell_angle_gamma 89.92283000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.13512917\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69090874 0.06027097 0.89060830 1\n C C1 1 0.10030651 0.65123447 0.48116170 1\n C C2 1 0.10373510 0.56377734 0.97783676 1\n C C3 1 0.75653464 0.62334740 0.32524184 1\n C C4 1 0.75232474 0.71257113 0.82887064 1\n C C5 1 0.16143668 0.21605729 -0.08056244 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47092000\n_cell_length_b 3.36553000\n_cell_length_c 5.96772000\n_cell_angle_alpha 69.37900000\n_cell_angle_beta 101.91056000\n_cell_angle_gamma 68.45786000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.86181222\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18965425 0.55396464 0.86158353 1\n C C1 1 0.53887966 0.73666593 0.74096589 1\n C C2 1 0.22033411 0.09593164 0.46743196 1\n C C3 1 1.21106092 0.90707662 0.25982826 1\n C C4 1 0.50382673 0.19842148 0.13547736 1\n C C5 1 0.51272422 0.38763070 0.34311111 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42508000\n_cell_length_b 4.21971000\n_cell_length_c 4.22331000\n_cell_angle_alpha 91.46800000\n_cell_angle_beta 89.99643000\n_cell_angle_gamma 90.05204000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.20349616\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75348741 0.85897827 0.10924594 1\n C C1 1 0.25348621 0.83458302 0.95260292 1\n C C2 1 0.75532119 0.26903886 0.51930765 1\n C C3 1 0.75512896 0.92032603 0.45813582 1\n C C4 1 0.25540940 0.42555021 0.54442357 1\n C C5 1 0.25475313 0.77422520 0.60423630 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52742000\n_cell_length_b 4.71032000\n_cell_length_c 4.79306000\n_cell_angle_alpha 77.15867000\n_cell_angle_beta 63.21988000\n_cell_angle_gamma 101.77044000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.53636199\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35242873 0.94150712 0.83508232 1\n C C1 1 0.43197082 0.27334976 0.13166648 1\n C C2 1 0.46712987 0.50004737 0.24327328 1\n C C3 1 1.29673953 0.95146367 0.32406330 1\n C C4 1 0.60268245 0.82174838 0.05085149 1\n C C5 1 0.54753323 0.83237673 0.53974246 1\n C C6 1 0.30942686 0.47409958 0.59649142 1\n C C7 1 0.59031911 0.30081659 0.77826044 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48513000\n_cell_length_b 4.84380000\n_cell_length_c 6.49637000\n_cell_angle_alpha 89.99660000\n_cell_angle_beta 90.00795000\n_cell_angle_gamma 120.86952000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.12192306\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53669764 0.24492157 0.36202663 1\n C C1 1 0.53655076 0.24461460 0.60060204 1\n C C2 1 0.53666680 0.74472101 0.39900656 1\n C C3 1 0.00986995 0.21734745 -0.07952907 1\n C C4 1 0.73287022 0.94072277 0.07555263 1\n C C5 1 0.00977897 0.71737209 0.07917504 1\n C C6 1 0.85918494 0.56745661 0.70298431 1\n C C7 1 0.85929986 0.06754218 0.29663057 1\n C C8 1 0.88496922 0.09279207 0.69350060 1\n C C9 1 0.88496683 0.59288511 0.30612745 1\n C C10 1 0.73292623 0.44069247 0.92408795 1\n C C11 1 0.53653898 0.74485036 0.63758948 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44813000\n_cell_length_b 5.70664000\n_cell_length_c 5.57999000\n_cell_angle_alpha 117.56687000\n_cell_angle_beta 102.69657000\n_cell_angle_gamma 102.38084000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.75014050\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25446268 0.50821725 0.50880939 1\n C C1 1 0.25550961 0.94918229 1.06865544 1\n C C2 1 1.09777635 0.07513738 0.62932111 1\n C C3 1 0.76143121 0.02381294 0.00377019 1\n C C4 1 0.76039396 0.58277908 0.44388009 1\n C C5 1 -0.27519886 0.14140964 -0.18226655 1\n C C6 1 0.91488666 0.45661543 -0.11724414 1\n C C7 1 0.20203958 0.74634734 0.16707126 1\n C C8 1 0.28743096 0.39025495 0.69434993 1\n C C9 1 0.81032545 0.78541049 0.34532588 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43091000\n_cell_length_b 4.20485000\n_cell_length_c 5.88664000\n_cell_angle_alpha 104.70976000\n_cell_angle_beta 101.41257000\n_cell_angle_gamma 90.17262000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.95802380\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45253682 -0.05666565 -0.11096794 1\n C C1 1 1.12361053 0.76875716 0.39356406 1\n C C2 1 0.12372120 0.10192450 0.39256034 1\n C C3 1 0.62359446 0.26878214 0.39354866 1\n C C4 1 0.95237265 0.11011219 -0.11007814 1\n C C5 1 0.95257891 0.44336253 0.88915292 1\n C C6 1 0.62372143 0.60194454 0.39257917 1\n C C7 1 0.45239619 0.61015859 0.89003483 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49025000\n_cell_length_b 3.59479000\n_cell_length_c 4.34958000\n_cell_angle_alpha 84.28264000\n_cell_angle_beta 106.65279000\n_cell_angle_gamma 110.32707000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98094050\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81111137 0.25363634 0.24881774 1\n C C1 1 0.62375553 0.25398595 0.87249013 1\n C C2 1 0.25396739 0.51371782 0.87268094 1\n C C3 1 0.72845860 -0.11685346 0.45448152 1\n C C4 1 0.44206676 0.51349972 0.24899528 1\n C C5 1 0.33563675 0.88301342 0.66700069 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47819000\n_cell_length_b 2.47797000\n_cell_length_c 6.77951000\n_cell_angle_alpha 89.97904000\n_cell_angle_beta 111.43087000\n_cell_angle_gamma 120.02975000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68011883\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89808012 0.50611958 0.17289148 1\n C C1 1 0.78560490 -0.05143922 0.83862363 1\n C C2 1 0.33991805 0.22529670 0.75454450 1\n C C3 1 0.00460400 0.05760114 0.50360521 1\n C C4 1 1.12051545 1.11712181 0.08951275 1\n C C5 1 0.22636308 0.66903010 0.42014083 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54419000\n_cell_length_b 2.45850000\n_cell_length_c 6.23050000\n_cell_angle_alpha 78.97360000\n_cell_angle_beta 100.20535000\n_cell_angle_gamma 88.45186000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 37.57158796\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42492266 0.62907192 0.56230416 1\n C C1 1 0.17598437 0.86721578 0.08372127 1\n C C2 1 0.60988606 0.94983417 0.92303098 1\n C C3 1 0.54634828 0.51562259 0.79189193 1\n C C4 1 0.36323323 0.18805514 0.44505561 1\n C C5 1 0.23994429 0.30081941 0.21519655 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47353000\n_cell_length_b 4.23500000\n_cell_length_c 5.45917000\n_cell_angle_alpha 89.98827000\n_cell_angle_beta 89.99863000\n_cell_angle_gamma 90.00412000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.18698560\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.31361277 0.26752050 -0.13859414 1\n C C1 1 0.68643253 -0.07166862 0.46872256 1\n C C2 1 1.18637302 0.43927914 0.46747396 1\n C C3 1 0.68640529 0.79045470 0.20714095 1\n C C4 1 0.68669731 0.92788655 0.94561863 1\n C C5 1 1.18640336 0.77093158 0.57340771 1\n C C6 1 0.68638640 0.26781049 0.55432008 1\n C C7 1 0.18667679 0.77067932 0.84068440 1\n C C8 1 0.18635815 0.43913396 -0.05282861 1\n C C9 1 0.18628262 0.56928898 0.20721737 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.00736000\n_cell_length_b 4.00903000\n_cell_length_c 4.00791000\n_cell_angle_alpha 105.35742000\n_cell_angle_beta 117.97413000\n_cell_angle_gamma 105.47781000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.71142736\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20207419 0.68803635 0.30577894 1\n C C1 1 0.57255245 0.68805634 0.67619775 1\n C C2 1 0.70215038 0.98780525 0.10549763 1\n C C3 1 0.07263430 -0.01215286 0.47596784 1\n C C4 1 -0.12730997 0.28793263 -0.02400802 1\n C C5 1 0.37263295 -0.01190139 0.17623222 1\n C C6 1 0.50226246 0.28792885 0.60553247 1\n C C7 1 0.00221574 -0.01181397 0.80582007 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50106000\n_cell_length_b 4.25469000\n_cell_length_c 7.93305000\n_cell_angle_alpha 96.82171000\n_cell_angle_beta 77.33993000\n_cell_angle_gamma 87.40224000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.55980996\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87128479 0.07420736 0.98539577 1\n C C1 1 -0.02228193 0.55435025 0.80823839 1\n C C2 1 0.06583741 0.45247753 0.61509815 1\n C C3 1 0.56631632 0.62046100 0.55108423 1\n C C4 1 0.30865218 0.13842078 0.54463180 1\n C C5 1 0.86866783 0.44005875 0.98184682 1\n C C6 1 0.04370331 0.87976767 0.81570233 1\n C C7 1 1.15725358 0.13882952 0.26531864 1\n C C8 1 0.19139025 0.50982875 0.26518716 1\n C C9 1 0.30362661 0.59299513 0.07941968 1\n C C10 1 0.30083130 0.96760171 1.08095829 1\n C C11 1 0.58133623 1.02908780 0.35822536 1\n C C12 1 0.35497361 -0.07143068 0.65205447 1\n C C13 1 0.63354641 0.65959282 0.35786702 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42736000\n_cell_length_b 5.85119000\n_cell_length_c 5.46671000\n_cell_angle_alpha 106.24011000\n_cell_angle_beta 85.75002000\n_cell_angle_gamma 114.17866000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.93309624\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73744721 0.97108742 0.28673472 1\n C C1 1 0.62735487 0.36059430 0.27232940 1\n C C2 1 0.85132679 0.55382493 0.11868377 1\n C C3 1 0.32546519 0.49711135 0.94153776 1\n C C4 1 0.00362980 0.24237662 0.30280939 1\n C C5 1 0.11020725 0.83706416 0.25210514 1\n C C6 1 1.06809761 0.21466676 0.80292434 1\n C C7 1 0.44048682 0.08046662 0.76812817 1\n C C8 1 0.17360092 0.81043943 0.75803076 1\n C C9 1 0.54943923 0.69249091 0.79017184 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48523000\n_cell_length_b 4.08722000\n_cell_length_c 4.67925000\n_cell_angle_alpha 83.31504000\n_cell_angle_beta 105.34444000\n_cell_angle_gamma 90.00802000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.50102775\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23022747 0.39387605 0.13673355 1\n C C1 1 0.84888184 0.86271012 0.36545748 1\n C C2 1 0.06088157 0.32581605 0.79555768 1\n C C3 1 1.00389979 0.68128618 0.68025174 1\n C C4 1 0.73108640 0.62037288 0.13853970 1\n C C5 1 0.35020137 0.08747887 0.36781091 1\n C C6 1 0.51909874 0.15626551 0.70926642 1\n C C7 1 0.57486352 0.80039394 0.82377121 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45189000\n_cell_length_b 3.33862000\n_cell_length_c 9.50582000\n_cell_angle_alpha 96.96188000\n_cell_angle_beta 97.27152000\n_cell_angle_gamma 111.84425000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.43879950\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.18894108 0.76006985 0.89269978 1\n C C1 1 -0.23576713 0.47318606 0.33520696 1\n C C2 1 -0.00896210 0.15301276 0.11768834 1\n C C3 1 0.28815912 1.07089630 0.77740823 1\n C C4 1 0.35694796 0.58523510 0.40575979 1\n C C5 1 0.83237412 0.97693612 0.96412086 1\n C C6 1 0.53620593 0.79608847 0.55252888 1\n C C7 1 0.93292566 0.28850188 0.84798346 1\n C C8 1 0.57968444 0.25835136 0.18857879 1\n C C9 1 0.12395661 0.89856000 0.62335150 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.40084000\n_cell_length_b 2.53223000\n_cell_length_c 8.38442000\n_cell_angle_alpha 87.68570000\n_cell_angle_beta 81.74541000\n_cell_angle_gamma 90.05085000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.40252363\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08302059 0.03235048 0.24163912 1\n C C1 1 0.47452467 0.50285814 0.45773797 1\n C C2 1 1.03550708 0.51892408 0.33817093 1\n C C3 1 0.79874163 0.99755412 0.81351950 1\n C C4 1 0.71257584 1.02600577 0.98224947 1\n C C5 1 0.34162949 0.98524202 0.72937132 1\n C C6 1 0.42951297 -0.01033559 0.55399902 1\n C C7 1 0.17071503 0.03736918 0.06619658 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48236000\n_cell_length_b 3.84389000\n_cell_length_c 4.49116000\n_cell_angle_alpha 90.02834000\n_cell_angle_beta 56.45718000\n_cell_angle_gamma 89.95244000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.71785719\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80285308 1.06045615 0.22551504 1\n C C1 1 0.53540119 0.35496242 0.49308511 1\n C C2 1 0.53187753 1.06086766 -0.00335920 1\n C C3 1 0.79874936 0.35543437 0.72964198 1\n C C4 1 0.53624534 0.76544380 0.49245047 1\n C C5 1 0.79937371 0.76588230 0.72914490 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63544000\n_cell_length_b 3.62364000\n_cell_length_c 8.45580000\n_cell_angle_alpha 68.82381000\n_cell_angle_beta 67.17535000\n_cell_angle_gamma 63.12471000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 89.20967201\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70937081 0.15541508 0.70618228 1\n C C1 1 0.40171001 0.34483560 0.61032992 1\n C C2 1 0.20728911 0.15733742 0.20700716 1\n C C3 1 -0.09707193 0.65167972 0.45589341 1\n C C4 1 0.90034269 0.34564994 0.11065630 1\n C C5 1 0.40254636 0.65163379 0.95558147 1\n C C6 1 0.21173209 0.84273844 0.36034311 1\n C C7 1 0.71273628 -0.15883751 0.85953898 1\n C C8 1 1.02048137 0.34428301 0.61032251 1\n C C9 1 0.52158081 0.65203816 0.45554819 1\n C C10 1 0.02127232 0.65171902 -0.04467340 1\n C C11 1 0.51910828 0.34546362 0.11048566 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47394000\n_cell_length_b 4.47176000\n_cell_length_c 4.92135000\n_cell_angle_alpha 53.53740000\n_cell_angle_beta 59.77004000\n_cell_angle_gamma 56.36600000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.19959821\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65392597 0.24226861 0.73542001 1\n C C1 1 0.17375479 0.44544781 0.51255088 1\n C C2 1 0.21891733 0.39913923 1.01334358 1\n C C3 1 0.60839623 0.28838043 0.23464264 1\n C C4 1 0.76550894 0.85361590 0.51261360 1\n C C5 1 0.06203924 0.83407283 0.73528799 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42593000\n_cell_length_b 5.47304000\n_cell_length_c 3.91534000\n_cell_angle_alpha 125.73876000\n_cell_angle_beta 92.25754000\n_cell_angle_gamma 99.42814000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.02897980\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96887281 1.02742676 0.96290426 1\n C C1 1 -0.14239347 0.80314794 0.51940849 1\n C C2 1 0.19060254 0.46943147 0.85261123 1\n C C3 1 0.63547975 0.36104660 0.62946215 1\n C C4 1 0.52425044 0.13643785 0.18596686 1\n C C5 1 0.30238503 0.69455088 0.29620911 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47402000\n_cell_length_b 4.11786000\n_cell_length_c 4.28052000\n_cell_angle_alpha 89.98313000\n_cell_angle_beta 90.00070000\n_cell_angle_gamma 89.98425000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60851307\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51530242 0.58215228 0.25714661 1\n C C1 1 0.01530242 0.58215228 0.75714661 1\n C C2 1 1.01534597 0.45706730 1.09051794 1\n C C3 1 0.01509064 0.95707440 0.75737918 1\n C C4 1 0.51502522 0.08215672 0.59074852 1\n C C5 1 0.51509064 0.95707440 0.25737918 1\n C C6 1 0.51534597 0.45706730 0.59051794 1\n C C7 1 1.01502522 0.08215672 0.09074852 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48144000\n_cell_length_b 4.21921000\n_cell_length_c 3.68775000\n_cell_angle_alpha 75.04408000\n_cell_angle_beta 70.35576000\n_cell_angle_gamma 90.03051000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96870567\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51099469 0.29898565 1.05651327 1\n C C1 1 0.93289872 0.42971346 0.21285506 1\n C C2 1 -0.03637087 0.79451321 0.14542966 1\n C C3 1 0.70873238 0.22314312 0.65905677 1\n C C4 1 0.18781820 1.00108593 0.69941006 1\n C C5 1 0.38488559 0.92494112 0.30272758 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37865000\n_cell_length_b 6.09515000\n_cell_length_c 5.73788000\n_cell_angle_alpha 79.47992000\n_cell_angle_beta 103.64333000\n_cell_angle_gamma 86.05156000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 112.12067555\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01178180 0.68501602 0.09207851 1\n C C1 1 0.24216805 0.94452665 0.88723925 1\n C C2 1 0.63941132 0.58299748 0.09712609 1\n C C3 1 0.61423793 1.04690873 0.88249604 1\n C C4 1 1.04045457 0.22422223 0.32508360 1\n C C5 1 0.40598049 0.36884741 0.44336628 1\n C C6 1 0.39635289 0.59969558 0.29384496 1\n C C7 1 0.82724279 0.85383123 0.52173659 1\n C C8 1 0.73283554 0.34942971 0.08792996 1\n C C9 1 0.18435611 0.66083911 0.64938314 1\n C C10 1 -0.02575838 -0.06904086 1.07854593 1\n C C11 1 0.85742884 0.02915609 0.68585283 1\n C C12 1 0.52117039 0.28093208 0.89055540 1\n C C13 1 0.06802045 0.96837967 0.33027889 1\n C C14 1 0.84799818 0.26006343 0.53702674 1\n C C15 1 0.21087778 0.40526100 0.65376944 1\n C C16 1 0.27896758 0.69794134 0.90165749 1\n C C17 1 0.42373057 0.77585509 0.45731767 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47468000\n_cell_length_b 5.69654000\n_cell_length_c 6.69153000\n_cell_angle_alpha 117.63741000\n_cell_angle_beta 103.02123000\n_cell_angle_gamma 92.33310000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.25855715\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20548816 0.90497502 0.56886962 1\n C C1 1 0.37619965 0.86138909 0.75571142 1\n C C2 1 0.36465405 0.61890884 0.76306210 1\n C C3 1 0.56342330 0.00763438 0.18878787 1\n C C4 1 0.45841504 0.49781582 0.26867717 1\n C C5 1 0.92971798 0.60704967 0.89749461 1\n C C6 1 0.21484833 0.35532194 0.53914228 1\n C C7 1 0.10270300 0.25741638 0.02689361 1\n C C8 1 0.53883557 0.08354447 0.99550220 1\n C C9 1 0.62406766 0.31153759 0.39374041 1\n C C10 1 0.90062644 0.31465443 0.83008673 1\n C C11 1 0.03566351 0.82902820 0.15939147 1\n C C12 1 0.28430543 0.19665001 0.66911251 1\n C C13 1 1.04166726 0.68858138 0.32095733 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52341000\n_cell_length_b 4.66534000\n_cell_length_c 4.96834000\n_cell_angle_alpha 83.90176000\n_cell_angle_beta 89.95328000\n_cell_angle_gamma 89.96928000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.15909997\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97921582 0.75078583 0.84380941 1\n C C1 1 0.48043742 0.59291748 0.26383964 1\n C C2 1 0.48168113 0.26899266 0.24138405 1\n C C3 1 0.97976180 0.92154566 0.56045737 1\n C C4 1 -0.02058255 0.64409144 0.42560579 1\n C C5 1 0.47956975 0.29402067 0.74778186 1\n C C6 1 0.47949088 0.80296529 0.00536176 1\n C C7 1 0.48045281 0.10137328 0.51837386 1\n C C8 1 0.48025164 0.12680766 0.02404835 1\n C C9 1 0.97885031 0.47401553 0.70726779 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45703000\n_cell_length_b 6.53071000\n_cell_length_c 7.79072000\n_cell_angle_alpha 66.84891000\n_cell_angle_beta 71.59554000\n_cell_angle_gamma 67.85331000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 104.38394670\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08538345 0.34129322 0.76922531 1\n C C1 1 -0.11817568 -0.04039301 0.85588380 1\n C C2 1 1.00028214 0.36852345 0.32654108 1\n C C3 1 0.59178201 0.76339275 0.34003594 1\n C C4 1 0.58680155 0.05603602 0.55424594 1\n C C5 1 1.04824260 0.86759363 0.27883708 1\n C C6 1 0.04469683 0.00538922 0.64696193 1\n C C7 1 0.62090157 0.21739572 0.35750266 1\n C C8 1 0.59490948 0.23294112 0.86843540 1\n C C9 1 0.88786127 0.12049109 0.18541399 1\n C C10 1 -0.44438698 0.60689133 1.03321334 1\n C C11 1 0.39062420 0.22892427 0.07432836 1\n C C12 1 -0.56632704 0.83171264 -0.06767810 1\n C C13 1 1.14498848 0.46463216 0.58420968 1\n C C14 1 0.70946390 0.51856071 0.46609749 1\n C C15 1 0.11538990 0.47628228 0.10409440 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45427000\n_cell_length_b 4.65686000\n_cell_length_c 7.07417000\n_cell_angle_alpha 89.48852000\n_cell_angle_beta 87.33568000\n_cell_angle_gamma 88.59540000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.73792314\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64960476 0.20243167 0.84163390 1\n C C1 1 0.57638841 0.73068597 0.09119781 1\n C C2 1 0.64689831 0.49307256 0.74614558 1\n C C3 1 0.67033701 0.42944861 0.19707909 1\n C C4 1 0.66886044 0.06666540 0.63848168 1\n C C5 1 0.69685630 0.54703619 0.39695956 1\n C C6 1 0.68078391 0.35924538 0.55866312 1\n C C7 1 0.13610331 0.67075888 0.77384735 1\n C C8 1 0.19089238 0.23864784 0.15891470 1\n C C9 1 0.33937013 0.94280110 0.25002095 1\n C C10 1 0.21157553 0.75390037 0.41531143 1\n C C11 1 1.17270458 -0.11127684 0.61051106 1\n C C12 1 0.14359914 0.12727823 0.95163701 1\n C C13 1 1.10125428 0.80130584 0.97075105 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44277000\n_cell_length_b 5.97793000\n_cell_length_c 6.30061000\n_cell_angle_alpha 61.84041000\n_cell_angle_beta 78.80825000\n_cell_angle_gamma 78.12410000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.87657672\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43514131 0.01014529 0.91908001 1\n C C1 1 0.20561656 0.04683473 0.34204217 1\n C C2 1 0.66506974 0.65842239 0.79597152 1\n C C3 1 0.58006241 0.55132290 0.07375877 1\n C C4 1 1.07145595 0.08741763 0.55820951 1\n C C5 1 -0.04140407 0.39385355 0.47406925 1\n C C6 1 0.55851928 0.96610972 0.70511096 1\n C C7 1 0.76283434 1.03500072 0.23982430 1\n C C8 1 0.37728199 0.46687900 0.56348866 1\n C C9 1 -0.12148956 0.02189501 1.02104212 1\n C C10 1 1.04102560 0.50492525 0.19629335 1\n C C11 1 0.24606576 0.58460472 0.70743718 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35552000\n_cell_length_b 4.92073000\n_cell_length_c 4.91419000\n_cell_angle_alpha 114.55843000\n_cell_angle_beta 102.49236000\n_cell_angle_gamma 104.47551000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.56747533\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94994442 0.76003904 0.82893439 1\n C C1 1 0.46989485 0.53822732 0.59582772 1\n C C2 1 0.22322484 0.55064707 0.82887744 1\n C C3 1 0.88413103 0.46147500 0.15107597 1\n C C4 1 0.46987444 0.03813556 0.59573987 1\n C C5 1 0.36441457 0.18306977 0.38508782 1\n C C6 1 0.61067476 0.17095289 0.15125455 1\n C C7 1 0.22324257 0.05059898 0.82883556 1\n C C8 1 0.36442500 0.68298539 0.38500544 1\n C C9 1 0.88409398 0.96157167 0.15119289 1\n C C10 1 0.61071510 0.67091091 0.15122701 1\n C C11 1 0.94995964 0.25994150 0.82880425 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48358000\n_cell_length_b 4.72114000\n_cell_length_c 6.27273000\n_cell_angle_alpha 73.41028000\n_cell_angle_beta 101.42077000\n_cell_angle_gamma 105.25863000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.40018769\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.16689390 0.47456441 0.23199350 1\n C C1 1 1.44924429 -0.00433545 0.27451465 1\n C C2 1 0.69455350 0.04711063 0.71241504 1\n C C3 1 -0.11869246 0.38096244 0.75514775 1\n C C4 1 0.34613803 0.03010214 0.03363179 1\n C C5 1 -0.08683158 0.64631658 0.55237561 1\n C C6 1 0.05387916 0.13628938 0.34496545 1\n C C7 1 0.62782851 0.55269053 0.07600792 1\n C C8 1 0.10268900 0.98101357 0.59465466 1\n C C9 1 0.34974266 0.66578815 0.40457374 1\n C C10 1 0.44632209 0.36033641 0.90416859 1\n C C11 1 0.73976149 0.89075562 0.96210951 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48131000\n_cell_length_b 3.68892000\n_cell_length_c 4.83679000\n_cell_angle_alpha 111.44934000\n_cell_angle_beta 104.84911000\n_cell_angle_gamma 109.67410000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97709314\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94097459 0.54120540 0.75353742 1\n C C1 1 0.23121991 0.25345270 0.62265362 1\n C C2 1 0.27202174 -0.16198316 0.11827781 1\n C C3 1 0.98033606 0.12540593 0.24902812 1\n C C4 1 0.25580589 0.59830581 0.32479564 1\n C C5 1 -0.04251858 0.78043582 0.54684599 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46153000\n_cell_length_b 4.55323000\n_cell_length_c 7.74137000\n_cell_angle_alpha 87.77949000\n_cell_angle_beta 80.86591000\n_cell_angle_gamma 74.30547000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.46980030\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88553275 0.70802952 0.25396329 1\n C C1 1 0.70328649 0.05347839 0.28085973 1\n C C2 1 0.10112816 0.15996138 0.37969066 1\n C C3 1 0.74035409 0.44662058 0.80633871 1\n C C4 1 0.83993153 0.15666236 0.90494585 1\n C C5 1 -0.02532693 0.72623839 0.05707368 1\n C C6 1 0.45618081 -0.01070674 0.83934793 1\n C C7 1 0.51364440 0.06592571 0.64893543 1\n C C8 1 0.79270365 0.06581110 0.08756312 1\n C C9 1 0.30221320 0.61036693 0.51980185 1\n C C10 1 0.55226051 0.69167328 0.93757913 1\n C C11 1 -0.09472862 0.51183426 0.41185451 1\n C C12 1 0.31037300 0.42385572 0.68835614 1\n C C13 1 1.11085254 0.97075024 0.55003866 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48859000\n_cell_length_b 4.30632000\n_cell_length_c 5.55782000\n_cell_angle_alpha 130.19914000\n_cell_angle_beta 77.05437000\n_cell_angle_gamma 106.80342000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.49368324\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41716835 0.15451769 0.50795339 1\n C C1 1 0.97909662 1.09183702 0.32049869 1\n C C2 1 0.72960778 0.34197286 0.07038865 1\n C C3 1 0.22928575 0.84171819 0.57043898 1\n C C4 1 0.66748854 0.90466495 0.75787872 1\n C C5 1 0.16746957 0.40432794 0.25786500 1\n C C6 1 0.47926316 0.59210312 0.82057603 1\n C C7 1 0.91723863 0.65470193 1.00802716 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47526000\n_cell_length_b 4.24775000\n_cell_length_c 4.24927000\n_cell_angle_alpha 128.06032000\n_cell_angle_beta 89.99130000\n_cell_angle_gamma 89.99374000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17779541\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01037890 0.17309214 0.63712014 1\n C C1 1 0.51000942 0.56163099 0.24856244 1\n C C2 1 1.01020450 0.01617539 0.20232980 1\n C C3 1 1.01010163 0.58125283 0.04537995 1\n C C4 1 0.51038531 0.96977928 0.65672819 1\n C C5 1 0.51018054 0.12667388 0.09151458 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48720000\n_cell_length_b 5.55983000\n_cell_length_c 7.03157000\n_cell_angle_alpha 90.00449000\n_cell_angle_beta 90.00401000\n_cell_angle_gamma 116.58936000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 86.95155190\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00083943 0.50877639 0.81443662 1\n C C1 1 0.75073102 0.75926722 1.06451435 1\n C C2 1 0.75091862 0.75942737 0.56454217 1\n C C3 1 0.25071611 0.75926582 -0.06097988 1\n C C4 1 0.00112486 0.00989248 0.68908478 1\n C C5 1 0.25077660 0.25920599 0.06428973 1\n C C6 1 1.00101761 0.50890085 0.31440404 1\n C C7 1 -0.24863340 0.25949007 0.43911108 1\n C C8 1 0.00091659 0.00977489 0.18910880 1\n C C9 1 0.50108930 1.00990183 0.31444302 1\n C C10 1 0.75076232 0.25921173 0.93907067 1\n C C11 1 0.50100164 0.50894640 0.68912809 1\n C C12 1 0.50083046 0.50881369 0.18906608 1\n C C13 1 0.50094792 0.00976454 0.81439121 1\n C C14 1 0.25137690 0.25947701 0.56433242 1\n C C15 1 0.25089272 0.75942622 0.43904803 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.80037000\n_cell_length_b 4.81376000\n_cell_length_c 3.62571000\n_cell_angle_alpha 112.14097000\n_cell_angle_beta 90.47523000\n_cell_angle_gamma 98.25732000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.69823724\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27723654 0.90402636 0.83735401 1\n C C1 1 0.27577696 0.59613090 0.80168904 1\n C C2 1 0.27636177 0.40470376 0.39672953 1\n C C3 1 0.27589323 0.59629519 0.18345563 1\n C C4 1 0.27668290 0.09564741 0.24227613 1\n C C5 1 0.27748460 0.90430237 0.45593185 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54818000\n_cell_length_b 2.44063000\n_cell_length_c 7.61044000\n_cell_angle_alpha 71.98715000\n_cell_angle_beta 116.78836000\n_cell_angle_gamma 89.08769000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.50212342\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30385013 1.11226421 0.47649954 1\n C C1 1 0.79983663 0.94921231 0.13895846 1\n C C2 1 0.15931509 0.05354724 0.03513244 1\n C C3 1 -0.17314441 0.28504718 0.80532985 1\n C C4 1 0.65499003 0.89073052 0.69767761 1\n C C5 1 1.13207543 0.71797864 0.36879110 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43152000\n_cell_length_b 4.20623000\n_cell_length_c 5.71575000\n_cell_angle_alpha 96.10774000\n_cell_angle_beta 79.21077000\n_cell_angle_gamma 89.83010000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.08298626\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40328008 0.88625214 0.26231311 1\n C C1 1 0.90308773 1.05341073 0.26409628 1\n C C2 1 -0.09670958 0.38625270 0.26233527 1\n C C3 1 0.71426582 0.80682037 0.76278097 1\n C C4 1 0.21425548 0.30681980 0.76275881 1\n C C5 1 0.40311951 0.55340770 0.26407136 1\n C C6 1 0.21445817 0.63966177 0.76099780 1\n C C7 1 0.71442639 0.13966480 0.76102272 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53239000\n_cell_length_b 4.40946000\n_cell_length_c 10.91078000\n_cell_angle_alpha 91.56891000\n_cell_angle_beta 83.15899000\n_cell_angle_gamma 91.22637000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 120.90197090\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57054177 0.49717357 0.19769400 1\n C C1 1 0.24196654 0.80413947 0.90866946 1\n C C2 1 0.16611435 0.57649754 1.00464021 1\n C C3 1 1.17686425 1.06005755 -0.00648358 1\n C C4 1 1.13864710 0.10671582 0.65632714 1\n C C5 1 0.51992667 0.00817872 0.30376712 1\n C C6 1 0.79156096 0.73012316 0.83725664 1\n C C7 1 0.51577155 0.68062693 0.30450861 1\n C C8 1 0.44498042 0.18816780 0.41793150 1\n C C9 1 0.52481422 0.61703400 0.65098604 1\n C C10 1 0.57772869 0.17731218 0.19532875 1\n C C11 1 0.98693468 0.78415249 0.70480368 1\n C C12 1 0.70668455 0.37419057 0.83838789 1\n C C13 1 0.46876893 0.69920943 0.52206320 1\n C C14 1 0.47958259 0.51320540 0.41730884 1\n C C15 1 -0.36221403 0.00949794 0.07392240 1\n C C16 1 0.34043180 1.01300051 0.52366988 1\n C C17 1 0.18587644 0.31898228 0.91714075 1\n C C18 1 0.63095738 0.64861645 0.07870821 1\n C C19 1 0.62925247 0.28918099 0.69729335 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54967000\n_cell_length_b 3.65184000\n_cell_length_c 5.54622000\n_cell_angle_alpha 94.64689000\n_cell_angle_beta 76.63246000\n_cell_angle_gamma 110.43294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.08054198\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79727599 0.59079554 0.79106199 1\n C C1 1 0.64201683 0.03305657 0.54209991 1\n C C2 1 -0.23531577 0.77253161 1.03918195 1\n C C3 1 0.39442814 0.03333154 0.03934468 1\n C C4 1 0.49419369 0.40421327 0.21082125 1\n C C5 1 0.60855402 0.21324074 0.79103541 1\n C C6 1 1.01208930 0.77211906 0.54233285 1\n C C7 1 0.91406892 0.40402397 0.37016105 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53202000\n_cell_length_b 2.45706000\n_cell_length_c 6.86201000\n_cell_angle_alpha 69.62264000\n_cell_angle_beta 97.88753000\n_cell_angle_gamma 88.44194000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.51115673\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86760592 0.72387521 0.79168564 1\n C C1 1 0.22354697 0.06046332 0.45717588 1\n C C2 1 1.11360085 0.29234930 0.22643787 1\n C C3 1 0.76437991 0.95542089 0.56097197 1\n C C4 1 0.92591400 0.11890434 0.89833322 1\n C C5 1 0.05115284 0.89740843 0.12001911 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.82425000\n_cell_length_b 3.72492000\n_cell_length_c 3.64057000\n_cell_angle_alpha 106.26070000\n_cell_angle_beta 112.31943000\n_cell_angle_gamma 117.56500000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.60199584\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60960683 0.68685867 1.09975968 1\n C C1 1 0.41815334 0.68797108 0.69434027 1\n C C2 1 0.91832992 0.68826081 0.75498315 1\n C C3 1 0.60935266 0.68514621 0.47853440 1\n C C4 1 0.91782557 0.68670605 0.13373917 1\n C C5 1 0.10945617 -0.31436013 0.53912683 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.98518000\n_cell_length_b 4.62387000\n_cell_length_c 4.76167000\n_cell_angle_alpha 100.90871000\n_cell_angle_beta 73.90167000\n_cell_angle_gamma 108.70066000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.36497521\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62321381 0.71943332 1.07199692 1\n C C1 1 0.70581614 0.19731524 0.45205071 1\n C C2 1 0.55704647 0.00511927 0.70644348 1\n C C3 1 -0.11320465 0.66831485 0.21038072 1\n C C4 1 0.53962670 1.01153867 0.20235734 1\n C C5 1 0.03152170 0.42376878 0.95210427 1\n C C6 1 0.22742361 0.49476778 0.61758385 1\n C C7 1 0.09637260 0.25589689 0.38527565 1\n C C8 1 0.32316291 0.39331148 0.09099485 1\n C C9 1 0.76394312 0.76422843 0.74690074 1\n C C10 1 0.17410084 0.81772198 0.62963353 1\n C C11 1 0.16133393 0.93425075 0.34857313 1\n C C12 1 0.63132944 0.51177255 0.51940212 1\n C C13 1 0.61133487 0.20940582 0.97318829 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48144000\n_cell_length_b 4.21993000\n_cell_length_c 3.68719000\n_cell_angle_alpha 104.91167000\n_cell_angle_beta 109.63934000\n_cell_angle_gamma 89.94545000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98417761\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40212946 0.07716433 0.23657794 1\n C C1 1 0.62679510 0.28362648 0.68251178 1\n C C2 1 0.20519497 0.15276615 0.83902115 1\n C C3 1 0.66135613 0.64859617 0.75062734 1\n C C4 1 0.08290643 0.77919114 0.59349743 1\n C C5 1 0.88243091 0.85532612 1.19629626 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47226000\n_cell_length_b 3.68146000\n_cell_length_c 8.11336000\n_cell_angle_alpha 66.22896000\n_cell_angle_beta 89.90353000\n_cell_angle_gamma 89.91854000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.57917990\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63988549 0.51955627 0.40319619 1\n C C1 1 1.13986630 0.70360131 0.32138638 1\n C C2 1 0.14058501 0.61658924 0.80473683 1\n C C3 1 0.13977342 0.03978165 0.16941513 1\n C C4 1 0.14038156 0.20727664 0.80769781 1\n C C5 1 0.14025322 1.04175033 0.65860519 1\n C C6 1 0.63999743 0.18204523 0.06612669 1\n C C7 1 0.64007172 1.01658711 0.91703322 1\n C C8 1 0.64011613 0.60732968 0.91998372 1\n C C9 1 0.64035201 0.18370414 0.55531094 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44928000\n_cell_length_b 4.54351000\n_cell_length_c 3.96345000\n_cell_angle_alpha 86.67544000\n_cell_angle_beta 90.01352000\n_cell_angle_gamma 105.63407000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.39782073\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03475157 0.74837273 0.25744228 1\n C C1 1 0.87899634 0.44019141 0.12066397 1\n C C2 1 0.28509285 0.25124632 0.64075894 1\n C C3 1 0.35132561 0.38393697 0.93352545 1\n C C4 1 0.75562360 0.19241313 0.45600564 1\n C C5 1 0.60243053 0.88374044 0.32288132 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.72819000\n_cell_length_b 3.72736000\n_cell_length_c 4.30150000\n_cell_angle_alpha 54.72131000\n_cell_angle_beta 54.72157000\n_cell_angle_gamma 70.53288000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.83603105\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46604743 0.61296364 0.01589527 1\n C C1 1 0.21578783 0.86295524 0.26604031 1\n C C2 1 0.96592400 0.11295781 0.01606393 1\n C C3 1 0.21566293 0.86288809 0.76617814 1\n C C4 1 -0.03408659 0.61295727 0.76603012 1\n C C5 1 0.46606230 0.11298374 0.26591543 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48628000\n_cell_length_b 2.53213000\n_cell_length_c 7.89219000\n_cell_angle_alpha 98.58898000\n_cell_angle_beta 99.08003000\n_cell_angle_gamma 89.94664000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.50004597\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64503429 0.57789989 0.98116693 1\n C C1 1 0.56103869 0.47942546 0.81004785 1\n C C2 1 -0.04518732 0.87466475 0.59849483 1\n C C3 1 0.25415934 0.18491269 0.20033313 1\n C C4 1 0.00769617 0.42353172 0.70311167 1\n C C5 1 0.81297469 0.24029988 0.31744186 1\n C C6 1 0.86390053 0.78836566 0.42040987 1\n C C7 1 0.19698962 0.63182484 0.08542127 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47287000\n_cell_length_b 4.27341000\n_cell_length_c 8.90597000\n_cell_angle_alpha 75.76717000\n_cell_angle_beta 73.87812000\n_cell_angle_gamma 89.99686000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 87.40263404\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61274197 0.70090963 0.45184715 1\n C C1 1 -0.03108511 0.72550609 0.94019967 1\n C C2 1 1.24474952 0.76108417 0.18793421 1\n C C3 1 0.79587117 0.63287322 0.12162972 1\n C C4 1 1.00527237 0.09037181 0.87830561 1\n C C5 1 0.19500508 0.60692650 0.36951857 1\n C C6 1 0.66963572 0.27045140 0.18811188 1\n C C7 1 0.52892755 0.58695294 0.88111026 1\n C C8 1 0.35275039 0.24245653 0.36930998 1\n C C9 1 0.44119742 0.22219334 -0.05746367 1\n C C10 1 0.72551403 0.04013427 0.63288452 1\n C C11 1 0.71848519 0.67855538 0.69976860 1\n C C12 1 0.30008546 0.54985735 0.63352385 1\n C C13 1 0.24351135 1.12678007 0.12977164 1\n C C14 1 0.18458048 0.18446642 0.69110710 1\n C C15 1 -0.22938879 1.06544878 0.45153002 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43382000\n_cell_length_b 4.88124000\n_cell_length_c 5.54369000\n_cell_angle_alpha 124.62502000\n_cell_angle_beta 90.06196000\n_cell_angle_gamma 119.89825000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.08973743\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21447125 0.55541645 0.82519226 1\n C C1 1 0.21626460 0.55732848 0.23931695 1\n C C2 1 0.27933114 0.12011663 0.31350884 1\n C C3 1 0.57299196 0.41403313 0.25447839 1\n C C4 1 0.57201909 0.41316841 0.66673930 1\n C C5 1 0.50884126 0.84973049 0.17868087 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48451000\n_cell_length_b 3.82420000\n_cell_length_c 5.78576000\n_cell_angle_alpha 89.88373000\n_cell_angle_beta 64.51137000\n_cell_angle_gamma 71.03498000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31238692\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45321616 0.51856647 0.39926981 1\n C C1 1 0.71286755 0.11550021 0.34199473 1\n C C2 1 0.74050077 0.61282642 0.56424246 1\n C C3 1 0.69755151 0.59258679 0.11956121 1\n C C4 1 0.42593968 0.02093608 0.17695580 1\n C C5 1 -0.24650399 0.26308941 0.72711844 1\n C C6 1 0.47073188 0.04027424 0.62123534 1\n C C7 1 0.41447354 0.37046299 1.01376342 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48448000\n_cell_length_b 5.84235000\n_cell_length_c 4.67834000\n_cell_angle_alpha 43.96908000\n_cell_angle_beta 105.40820000\n_cell_angle_gamma 102.28238000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.42781902\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50324103 0.79077720 0.20206481 1\n C C1 1 0.28899539 0.25485029 0.30890281 1\n C C2 1 0.17624443 0.49704566 0.83971243 1\n C C3 1 0.78967668 0.02897141 0.53661375 1\n C C4 1 0.96002741 0.96064720 0.94610742 1\n C C5 1 1.01953088 0.31641279 0.70600469 1\n C C6 1 -0.32535623 0.72290802 0.61144124 1\n C C7 1 0.44715762 0.43501254 0.44297294 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42538000\n_cell_length_b 4.21166000\n_cell_length_c 4.21103000\n_cell_angle_alpha 89.43616000\n_cell_angle_beta 90.02415000\n_cell_angle_gamma 89.97907000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.01305940\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28089161 1.06793497 0.40715593 1\n C C1 1 0.78043911 0.15611700 0.91032663 1\n C C2 1 0.78070442 0.21763488 0.25809724 1\n C C3 1 0.78116789 0.56511745 0.31766658 1\n C C4 1 0.28112430 0.72069264 0.34740063 1\n C C5 1 0.28034056 0.12774706 0.75505479 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60876000\n_cell_length_b 3.67720000\n_cell_length_c 4.58534000\n_cell_angle_alpha 66.36283000\n_cell_angle_beta 77.00707000\n_cell_angle_gamma 90.02636000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.06202007\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74047776 0.08084021 0.88375314 1\n C C1 1 0.55317137 0.41919681 0.20618991 1\n C C2 1 -0.25998918 0.70560995 0.88428672 1\n C C3 1 0.55275713 1.04457366 0.20577671 1\n C C4 1 0.85540610 0.51040910 0.65100945 1\n C C5 1 0.43559192 0.61637877 0.43832166 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43686000\n_cell_length_b 4.89119000\n_cell_length_c 6.54076000\n_cell_angle_alpha 79.24320000\n_cell_angle_beta 79.23218000\n_cell_angle_gamma 60.06966000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.97247808\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49601433 0.45195671 0.20813641 1\n C C1 1 0.39356403 0.88778768 0.53208090 1\n C C2 1 0.20522864 0.40442453 0.88368684 1\n C C3 1 0.53033379 0.95921438 0.13267676 1\n C C4 1 0.74048704 0.53386091 0.54906103 1\n C C5 1 0.42739991 0.39485879 0.45456970 1\n C C6 1 0.18315403 0.31236888 0.11426668 1\n C C7 1 0.18370427 0.79998674 0.14357931 1\n C C8 1 0.74103169 0.04734540 0.51907684 1\n C C9 1 0.72060038 0.44079779 0.78016232 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27361000\n_cell_length_b 3.26402000\n_cell_length_c 3.63072000\n_cell_angle_alpha 75.56247000\n_cell_angle_beta 75.50717000\n_cell_angle_gamma 80.87850000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.18237598\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61206043 0.55510757 0.23063221 1\n C C1 1 0.88032555 0.50069949 0.84899588 1\n C C2 1 0.46480899 0.12946831 0.46753926 1\n C C3 1 0.25177966 0.91598058 0.23091072 1\n C C4 1 0.82620696 0.76873989 0.46707335 1\n C C5 1 0.19829341 1.18412736 0.84933680 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48184000\n_cell_length_b 3.74033000\n_cell_length_c 5.36984000\n_cell_angle_alpha 134.23774000\n_cell_angle_beta 90.00186000\n_cell_angle_gamma 90.00063000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.71343989\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47595752 0.27790612 0.11126042 1\n C C1 1 -0.02410861 0.06933670 0.40576227 1\n C C2 1 0.47581801 0.71504713 0.81608819 1\n C C3 1 0.97573531 0.47763756 0.81537510 1\n C C4 1 0.97596104 0.50661622 0.11046482 1\n C C5 1 0.47584843 0.30661768 0.40655549 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46129000\n_cell_length_b 3.35543000\n_cell_length_c 4.48626000\n_cell_angle_alpha 111.91502000\n_cell_angle_beta 84.66378000\n_cell_angle_gamma 104.44266000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.28700515\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20550672 0.33414689 0.11136919 1\n C C1 1 -0.08567327 -0.08020934 0.55605010 1\n C C2 1 0.62423229 1.06072605 0.11144325 1\n C C3 1 0.41407202 0.81401831 0.34538777 1\n C C4 1 0.12435015 0.40013963 0.78925255 1\n C C5 1 0.70559399 0.67354316 0.78940764 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68968000\n_cell_length_b 2.47894000\n_cell_length_c 6.27762000\n_cell_angle_alpha 78.61388000\n_cell_angle_beta 128.87234000\n_cell_angle_gamma 70.36161000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96990993\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73556666 0.58675900 -0.11828492 1\n C C1 1 0.32662043 0.53898549 0.38585823 1\n C C2 1 0.64887236 0.41512402 0.31051236 1\n C C3 1 0.30071470 0.98636443 0.51686105 1\n C C4 1 0.38751311 0.15716779 0.08803285 1\n C C5 1 0.70981254 0.03419337 0.01262593 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26988000\n_cell_length_b 3.62922000\n_cell_length_c 4.23507000\n_cell_angle_alpha 131.56080000\n_cell_angle_beta 84.74649000\n_cell_angle_gamma 104.48759000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.21737602\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25361964 0.03637187 0.90649838 1\n C C1 1 0.04056072 0.48595364 0.11915414 1\n C C2 1 0.61393146 0.39635977 0.26731774 1\n C C3 1 0.40229628 0.84643282 0.48027398 1\n C C4 1 -0.01512397 0.60034596 0.85195865 1\n C C5 1 0.66869746 0.28268724 0.53466070 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.01785000\n_cell_length_b 3.32930000\n_cell_length_c 6.14407000\n_cell_angle_alpha 100.82237000\n_cell_angle_beta 81.22437000\n_cell_angle_gamma 135.36920000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.58116713\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26028811 0.55932546 0.31170148 1\n C C1 1 0.59521765 1.22510778 0.64537622 1\n C C2 1 0.37142916 0.44922235 0.08932240 1\n C C3 1 -0.07247654 -0.10749567 -0.02146138 1\n C C4 1 0.03879825 0.78210949 0.75619141 1\n C C5 1 0.70389738 0.11623810 0.42258817 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.11664000\n_cell_length_b 3.51299000\n_cell_length_c 5.32020000\n_cell_angle_alpha 117.18451000\n_cell_angle_beta 60.27780000\n_cell_angle_gamma 101.42066000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.39598260\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24127326 0.78412952 0.50650340 1\n C C1 1 0.40824456 0.61726588 0.17346521 1\n C C2 1 0.74090819 0.78430077 1.00670944 1\n C C3 1 0.24091171 0.28432538 1.00673708 1\n C C4 1 -0.09179997 1.11730274 0.17343940 1\n C C5 1 0.74130826 0.28405993 0.50645915 1\n C C6 1 0.40842573 0.11734541 0.67324032 1\n C C7 1 0.90847587 0.61724458 0.67320131 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48171000\n_cell_length_b 4.82746000\n_cell_length_c 6.99795000\n_cell_angle_alpha 99.32781000\n_cell_angle_beta 79.78938000\n_cell_angle_gamma 59.03460000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.48864750\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34034630 0.69002231 0.25871512 1\n C C1 1 0.32004200 0.20168210 0.27605271 1\n C C2 1 0.30116885 0.38358432 0.94989280 1\n C C3 1 0.66725187 0.63158070 0.72572852 1\n C C4 1 0.55064626 0.82588225 0.56929920 1\n C C5 1 0.92464587 0.06256574 0.34616296 1\n C C6 1 0.56195405 0.57922015 0.03687297 1\n C C7 1 0.39390237 0.40433010 0.72591933 1\n C C8 1 0.90590380 0.58092839 0.34548273 1\n C C9 1 0.57801303 1.07284663 1.01818427 1\n C C10 1 0.82302158 0.05357413 0.56948032 1\n C C11 1 0.32212121 0.86387157 -0.05130495 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.10377000\n_cell_length_b 2.42945000\n_cell_length_c 5.80368000\n_cell_angle_alpha 80.97956000\n_cell_angle_beta 93.27799000\n_cell_angle_gamma 84.13727000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.87559155\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73898957 0.39060159 0.48148158 1\n C C1 1 0.62965394 -0.05274059 0.36938017 1\n C C2 1 0.40568899 1.05726793 0.14812934 1\n C C3 1 0.29632250 0.61393381 0.03604207 1\n C C4 1 -0.03704548 0.28059307 0.70273241 1\n C C5 1 0.07232101 0.72392719 0.81481969 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45206000\n_cell_length_b 5.43999000\n_cell_length_c 5.44030000\n_cell_angle_alpha 83.58058000\n_cell_angle_beta 90.00120000\n_cell_angle_gamma 90.03507000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.11413485\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68226684 0.49785348 0.50345217 1\n C C1 1 0.68231124 0.63389827 0.24856122 1\n C C2 1 0.18155142 0.25439150 0.82095351 1\n C C3 1 0.18241196 0.70304446 0.85400180 1\n C C4 1 0.68170659 0.21794321 0.47118374 1\n C C5 1 0.18154435 0.27812676 0.09099221 1\n C C6 1 0.68252147 0.89785266 0.15090030 1\n C C7 1 0.18229933 0.51496855 0.66585752 1\n C C8 1 0.68169074 0.14828811 0.22063238 1\n C C9 1 0.18209257 0.54808352 0.11458375 1\n C C10 1 0.68153149 0.12045637 0.73511575 1\n C C11 1 0.68253770 0.86560032 0.87122997 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45692000\n_cell_length_b 3.66319000\n_cell_length_c 6.47564000\n_cell_angle_alpha 107.00478000\n_cell_angle_beta 79.04554000\n_cell_angle_gamma 109.58558000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.23466328\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78657100 -0.23461344 0.27098501 1\n C C1 1 0.05729944 0.88067291 0.84214474 1\n C C2 1 0.84094961 0.24857660 0.64523495 1\n C C3 1 0.06395038 0.64686946 0.59479656 1\n C C4 1 0.28380702 0.27974538 0.79160050 1\n C C5 1 0.68858480 0.80764214 0.50802128 1\n C C6 1 0.33593126 0.75848453 0.16551484 1\n C C7 1 0.43480249 0.72045183 -0.07113068 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.56789000\n_cell_length_b 4.82244000\n_cell_length_c 8.13017000\n_cell_angle_alpha 98.63675000\n_cell_angle_beta 71.18867000\n_cell_angle_gamma 111.24181000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 123.33067824\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33619406 0.81649961 0.60440908 1\n C C1 1 0.25936667 0.58939873 0.72156147 1\n C C2 1 0.49308635 0.18566888 0.29751737 1\n C C3 1 0.41016135 0.71280312 0.43730118 1\n C C4 1 0.79555656 0.50563269 0.84764983 1\n C C5 1 0.54910562 0.69458661 0.83709069 1\n C C6 1 0.57286199 0.18234921 0.82970823 1\n C C7 1 0.41307743 0.39701330 0.43751676 1\n C C8 1 0.61665772 0.25973132 0.11204043 1\n C C9 1 0.84877349 1.01085138 0.82727543 1\n C C10 1 0.29355583 0.08179242 0.01129746 1\n C C11 1 0.26344087 0.74724786 0.01808815 1\n C C12 1 0.87305501 0.06345411 1.02080177 1\n C C13 1 0.47958269 0.89353558 0.29846022 1\n C C14 1 0.29610195 1.09015203 0.70032049 1\n C C15 1 0.57360577 0.78046460 0.11543763 1\n C C16 1 0.81039581 0.56478696 0.04250901 1\n C C17 1 0.33877303 0.34085690 0.60563930 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42971000\n_cell_length_b 2.42961000\n_cell_length_c 8.69908000\n_cell_angle_alpha 85.85481000\n_cell_angle_beta 99.12458000\n_cell_angle_gamma 59.99284000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.21129508\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71579144 1.05717947 0.37007215 1\n C C1 1 0.04972667 0.39075839 0.36961035 1\n C C2 1 0.85132435 0.68498572 0.70378677 1\n C C3 1 0.12115564 0.89530206 0.03880838 1\n C C4 1 0.51853860 0.35068652 0.70392875 1\n C C5 1 0.78890120 0.56164754 0.03919059 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.70065000\n_cell_length_b 4.82230000\n_cell_length_c 4.18325000\n_cell_angle_alpha 76.69013000\n_cell_angle_beta 59.46493000\n_cell_angle_gamma 99.08673000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.13841856\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05098205 0.55184779 0.42246703 1\n C C1 1 0.45183438 0.74217861 1.01881192 1\n C C2 1 0.66678482 0.55107655 0.80604171 1\n C C3 1 1.00738204 1.24260624 0.45958799 1\n C C4 1 0.60666330 0.05219328 0.86326103 1\n C C5 1 0.39209621 0.24342123 0.07603853 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43881000\n_cell_length_b 6.18985000\n_cell_length_c 5.82043000\n_cell_angle_alpha 57.33670000\n_cell_angle_beta 77.87193000\n_cell_angle_gamma 78.60618000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 71.93923590\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67049018 0.30427113 -0.00495983 1\n C C1 1 0.00287915 0.24679795 0.38407833 1\n C C2 1 0.09178916 0.38013583 0.07634668 1\n C C3 1 0.45908397 0.78408178 0.93517334 1\n C C4 1 0.46322183 0.19182204 0.51708902 1\n C C5 1 0.37272737 0.06742110 0.82366201 1\n C C6 1 1.00028985 0.66123429 -0.02430931 1\n C C7 1 0.79418148 0.14897648 -0.10088843 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31069000\n_cell_length_b 3.39876000\n_cell_length_c 5.33626000\n_cell_angle_alpha 98.89240000\n_cell_angle_beta 81.62575000\n_cell_angle_gamma 87.40981000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.54968996\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13783115 0.19233963 0.20777857 1\n C C1 1 0.02936500 0.26479657 0.94554170 1\n C C2 1 0.88985118 0.76245636 0.53417555 1\n C C3 1 0.76308554 0.06940186 0.38269690 1\n C C4 1 0.55687055 0.45124217 0.53294880 1\n C C5 1 0.47280769 0.85895743 0.21435875 1\n C C6 1 0.34106906 0.52109682 0.80753878 1\n C C7 1 -0.01712605 0.85221578 0.80766988 1\n C C8 1 0.26440405 0.56421267 0.36415315 1\n C C9 1 0.67600422 0.62635830 0.96237633 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43865000\n_cell_length_b 4.23277000\n_cell_length_c 6.52647000\n_cell_angle_alpha 90.33628000\n_cell_angle_beta 100.77841000\n_cell_angle_gamma 89.99834000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.17812319\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03805053 0.76145232 0.57726827 1\n C C1 1 0.15748271 0.15099613 0.82371071 1\n C C2 1 0.82763823 0.64889424 0.14823933 1\n C C3 1 0.15188736 0.80116180 0.80784476 1\n C C4 1 0.69917988 0.64763890 0.90026501 1\n C C5 1 0.86576916 0.31038890 0.21424942 1\n C C6 1 0.66247483 0.30869541 0.83381648 1\n C C7 1 0.48598221 0.76191501 0.47329283 1\n C C8 1 0.37460352 0.80312180 0.24215348 1\n C C9 1 0.37244456 0.15323498 0.22868341 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48464000\n_cell_length_b 4.77639000\n_cell_length_c 5.57879000\n_cell_angle_alpha 77.33669000\n_cell_angle_beta 63.53412000\n_cell_angle_gamma 74.85940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.80464391\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91744581 0.77447248 0.22228610 1\n C C1 1 0.73357015 0.90821509 0.83833815 1\n C C2 1 0.67024262 0.69144907 0.51156645 1\n C C3 1 0.41578209 0.95077832 0.13520568 1\n C C4 1 0.85394008 0.55788515 0.89596420 1\n C C5 1 0.17157823 0.51530724 0.59911149 1\n C C6 1 0.20853494 0.50426236 0.06791628 1\n C C7 1 1.13680508 0.23141933 0.27425834 1\n C C8 1 0.37868179 -0.03772638 0.66624507 1\n C C9 1 0.44948670 0.23433214 0.46058895 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47155000\n_cell_length_b 4.17053000\n_cell_length_c 6.64904000\n_cell_angle_alpha 96.25159000\n_cell_angle_beta 90.10750000\n_cell_angle_gamma 91.29457000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.11053231\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51042258 0.28234241 0.64060595 1\n C C1 1 1.15257233 0.21117525 0.95112802 1\n C C2 1 0.84076169 0.76184506 0.52984823 1\n C C3 1 0.67358549 0.88754490 0.15839216 1\n C C4 1 1.01279871 0.40726698 0.54435732 1\n C C5 1 0.20564838 0.87720876 0.84567179 1\n C C6 1 0.15768614 0.41458908 0.31583749 1\n C C7 1 0.68863506 0.63878894 0.30796948 1\n C C8 1 0.17015052 0.11238730 0.16661681 1\n C C9 1 0.68746547 0.72993426 0.92942320 1\n C C10 1 0.63839392 0.37281299 0.87887735 1\n C C11 1 0.35065681 0.92006076 0.62509250 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47773000\n_cell_length_b 2.47765000\n_cell_length_c 6.31072000\n_cell_angle_alpha 78.67938000\n_cell_angle_beta 78.66947000\n_cell_angle_gamma 59.98524000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67210379\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39996224 0.47382515 0.74180505 1\n C C1 1 -0.04667194 1.02910220 0.07706160 1\n C C2 1 1.09507153 0.16827939 0.65881430 1\n C C3 1 0.87097367 -0.05464605 0.32822980 1\n C C4 1 0.31476284 0.39028345 0.99282330 1\n C C5 1 0.17713506 0.25070316 0.41172775 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51238000\n_cell_length_b 4.19088000\n_cell_length_c 4.19305000\n_cell_angle_alpha 58.70282000\n_cell_angle_beta 72.25311000\n_cell_angle_gamma 72.24882000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.34210614\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22657176 0.13186599 0.51515700 1\n C C1 1 0.22658586 0.46261671 0.18427805 1\n C C2 1 0.03623939 0.80690140 0.22802851 1\n C C3 1 0.42183196 0.41868850 0.84000838 1\n C C4 1 1.03621065 0.17552367 0.85934654 1\n C C5 1 0.42186088 0.78740812 0.47115592 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48087000\n_cell_length_b 3.68887000\n_cell_length_c 4.21808000\n_cell_angle_alpha 75.23171000\n_cell_angle_beta 89.94894000\n_cell_angle_gamma 70.36868000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00475437\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16743356 0.88067454 0.67345507 1\n C C1 1 0.70904426 0.79571502 0.17719417 1\n C C2 1 -0.09253033 0.39794551 0.10162579 1\n C C3 1 0.38857356 0.43573517 0.87954518 1\n C C4 1 0.58915720 0.03747106 0.80446580 1\n C C5 1 0.13040515 0.95259650 0.30813149 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.27435000\n_cell_length_b 4.26117000\n_cell_length_c 2.53903000\n_cell_angle_alpha 89.97605000\n_cell_angle_beta 76.44215000\n_cell_angle_gamma 66.16682000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.45757058\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31817188 0.81422841 0.11822559 1\n C C1 1 0.31809949 0.13828935 0.11821712 1\n C C2 1 0.88249829 0.38027851 0.83494388 1\n C C3 1 0.56303187 0.51506749 0.99275865 1\n C C4 1 0.88253248 0.00802056 0.83502777 1\n C C5 1 0.56305238 0.19245629 -0.00710242 1\n C C6 1 0.03019452 0.43802191 0.26206930 1\n C C7 1 0.03020620 0.80246838 1.26224661 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46675000\n_cell_length_b 5.68570000\n_cell_length_c 5.68682000\n_cell_angle_alpha 120.00993000\n_cell_angle_beta 90.01212000\n_cell_angle_gamma 90.00233000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.06622369\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81524082 0.31333868 0.44506295 1\n C C1 1 1.31502578 -0.01969133 0.51701549 1\n C C2 1 0.31519443 0.22639254 0.27173174 1\n C C3 1 -0.18469673 0.79036812 -0.07741633 1\n C C4 1 0.81538067 0.63168490 0.60440800 1\n C C5 1 0.31538208 -0.03626101 0.00964699 1\n C C6 1 0.31485650 0.71752412 0.25485712 1\n C C7 1 0.81473900 0.63089284 0.08158684 1\n C C8 1 0.31525610 0.71819869 0.51755477 1\n C C9 1 0.31484945 0.22578219 0.00897218 1\n C C10 1 -0.18525263 0.31241535 0.92217510 1\n C C11 1 0.81508011 0.15365560 0.60385074 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42652000\n_cell_length_b 4.15033000\n_cell_length_c 6.51113000\n_cell_angle_alpha 67.79648000\n_cell_angle_beta 79.10401000\n_cell_angle_gamma 89.91736000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.43887640\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17426589 0.55229992 0.57183845 1\n C C1 1 1.14714022 0.17687810 0.61412966 1\n C C2 1 0.68843741 0.72430170 0.54269547 1\n C C3 1 0.37327410 0.48058855 0.15774692 1\n C C4 1 -0.17718918 0.34030428 0.25947499 1\n C C5 1 1.02494923 0.93054321 0.85580974 1\n C C6 1 0.47414323 0.78802185 0.95647068 1\n C C7 1 0.70486619 0.09901380 0.50124919 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48742000\n_cell_length_b 5.74900000\n_cell_length_c 6.86493000\n_cell_angle_alpha 96.64966000\n_cell_angle_beta 71.67372000\n_cell_angle_gamma 90.47471000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.52258090\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48391697 0.68985463 1.18201377 1\n C C1 1 0.53354285 -0.09053181 0.60465235 1\n C C2 1 0.19009098 0.34001317 0.05820036 1\n C C3 1 1.08491590 1.05454692 0.55605907 1\n C C4 1 0.29794599 0.64188978 0.85582268 1\n C C5 1 0.62081494 0.63134717 0.50582425 1\n C C6 1 0.47806636 0.46057569 0.68057194 1\n C C7 1 0.72185524 -0.00776792 0.95083533 1\n C C8 1 0.77840291 0.24569905 0.93808832 1\n C C9 1 0.10785405 0.59131696 0.06278478 1\n C C10 1 0.48766742 0.93986416 0.17186634 1\n C C11 1 0.23082192 0.57426354 0.37693676 1\n C C12 1 0.26405646 0.10972015 0.33613560 1\n C C13 1 0.18759957 0.32482170 0.27898454 1\n C C14 1 -0.03498737 0.29953414 0.70281804 1\n C C15 1 0.32032501 0.88592148 0.83561908 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44894000\n_cell_length_b 6.82897000\n_cell_length_c 8.86916000\n_cell_angle_alpha 54.60194000\n_cell_angle_beta 73.88827000\n_cell_angle_gamma 79.62090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 116.12251757\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40258282 0.71785639 0.54982946 1\n C C1 1 0.44529588 0.90251183 -0.08129406 1\n C C2 1 0.02060142 0.27746141 1.15819648 1\n C C3 1 0.36180875 -0.00237878 0.45603256 1\n C C4 1 0.60152616 0.00264760 0.71432723 1\n C C5 1 0.87350455 0.86337257 1.01023006 1\n C C6 1 0.91269221 0.11157711 0.34816989 1\n C C7 1 -0.28330473 0.77659669 0.20440455 1\n C C8 1 1.03275051 0.37895685 0.59068967 1\n C C9 1 0.14531599 0.73777807 0.29572992 1\n C C10 1 0.55674844 0.26393219 0.62498788 1\n C C11 1 1.19162510 -0.07337926 0.66291782 1\n C C12 1 0.23471889 0.64693308 0.75658942 1\n C C13 1 0.68578798 0.53223506 0.86402878 1\n C C14 1 0.58114854 0.36450964 1.05370965 1\n C C15 1 0.99135909 0.64069954 0.49944149 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48510000\n_cell_length_b 4.68190000\n_cell_length_c 4.08612000\n_cell_angle_alpha 96.67274000\n_cell_angle_beta 90.00954000\n_cell_angle_gamma 74.58770000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.49838543\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70497607 0.67569455 0.66239279 1\n C C1 1 0.76243594 0.56048001 0.30657129 1\n C C2 1 0.43517698 0.21721437 0.60025270 1\n C C3 1 0.21881876 0.64621229 0.13585971 1\n C C4 1 0.04776248 0.98714833 0.06855076 1\n C C5 1 0.54683443 0.98924077 0.84181319 1\n C C6 1 0.27809633 0.53072619 0.78025530 1\n C C7 1 -0.06602379 0.21960209 0.37439306 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48435000\n_cell_length_b 3.82321000\n_cell_length_c 5.78594000\n_cell_angle_alpha 89.99396000\n_cell_angle_beta 115.49084000\n_cell_angle_gamma 71.04181000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.28092443\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55221701 0.72122266 0.56667251 1\n C C1 1 0.27082327 0.49852019 0.67312747 1\n C C2 1 0.59758546 0.74085166 1.12205930 1\n C C3 1 0.61052056 0.39149890 0.95949873 1\n C C4 1 0.28297278 0.14905787 0.51059260 1\n C C5 1 0.30947218 0.64666517 0.28710595 1\n C C6 1 0.32767520 0.16933995 1.06576217 1\n C C7 1 0.57013414 0.24313981 0.34537376 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47972000\n_cell_length_b 6.13672000\n_cell_length_c 8.44476000\n_cell_angle_alpha 68.02675000\n_cell_angle_beta 76.56602000\n_cell_angle_gamma 68.81960000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 110.41826681\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49186954 0.89755637 0.27417277 1\n C C1 1 0.47253365 0.46824585 0.90646429 1\n C C2 1 1.10448297 0.33009509 0.86840924 1\n C C3 1 -0.15864634 0.88963197 -0.04052298 1\n C C4 1 0.28173116 -0.02941383 0.43691184 1\n C C5 1 0.75678946 -0.09194712 0.53727026 1\n C C6 1 0.16311195 0.76752063 0.80840916 1\n C C7 1 0.78386189 0.38839379 0.59453950 1\n C C8 1 0.86294222 0.64134536 0.10249269 1\n C C9 1 0.86502297 0.43804960 0.40868791 1\n C C10 1 1.18633346 1.03998234 0.98152709 1\n C C11 1 0.48536858 0.49611023 0.07926643 1\n C C12 1 0.24656810 0.36219341 0.67989453 1\n C C13 1 0.69101527 0.82823894 0.70705283 1\n C C14 1 0.10898257 0.24098717 0.33252385 1\n C C15 1 0.67434894 0.26190139 0.21920723 1\n C C16 1 0.71187477 0.64749217 0.28106275 1\n C C17 1 0.96804534 0.02615105 0.17434783 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42774000\n_cell_length_b 6.02811000\n_cell_length_c 5.71094000\n_cell_angle_alpha 41.66378000\n_cell_angle_beta 77.54088000\n_cell_angle_gamma 78.27273000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.13650390\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11932294 0.12278403 0.53016378 1\n C C1 1 0.79087346 0.36155822 -0.05197170 1\n C C2 1 0.09406080 0.49125209 0.21186458 1\n C C3 1 0.33476393 0.20231631 1.01961690 1\n C C4 1 0.96008870 0.71721553 0.25227000 1\n C C5 1 0.63309089 0.95519870 0.66819597 1\n C C6 1 0.65751990 0.58758403 -0.01182773 1\n C C7 1 0.41656527 -0.12337230 0.18003801 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48531000\n_cell_length_b 5.69768000\n_cell_length_c 5.12733000\n_cell_angle_alpha 110.85860000\n_cell_angle_beta 89.95598000\n_cell_angle_gamma 115.88437000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.99855906\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17533187 0.90272520 0.29179732 1\n C C1 1 0.39752591 0.62681237 0.83672004 1\n C C2 1 0.66735710 0.89501125 0.10467458 1\n C C3 1 0.08396088 0.31298460 0.41900213 1\n C C4 1 0.48559847 0.21503294 0.51649503 1\n C C5 1 0.93199947 0.65961480 0.37845247 1\n C C6 1 0.39430837 0.62281851 0.52983133 1\n C C7 1 0.62552927 0.35402482 0.07240223 1\n C C8 1 0.71137542 0.44034563 0.82911168 1\n C C9 1 0.97377363 0.20259129 0.10886089 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.10889000\n_cell_length_b 5.17100000\n_cell_length_c 3.32472000\n_cell_angle_alpha 82.50147000\n_cell_angle_beta 102.87024000\n_cell_angle_gamma 120.96663000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.03953890\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35102698 0.75915433 0.95062886 1\n C C1 1 1.03548733 0.44914788 -0.05391298 1\n C C2 1 0.72002159 0.89514375 0.18263666 1\n C C3 1 -0.15142617 0.73388722 0.47230366 1\n C C4 1 0.03464527 0.20547281 0.18691558 1\n C C5 1 0.35300250 0.21091923 0.49847197 1\n C C6 1 0.71858267 0.44374350 0.63295855 1\n C C7 1 0.22336583 -0.07975692 0.65765038 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39843000\n_cell_length_b 3.25864000\n_cell_length_c 4.66550000\n_cell_angle_alpha 110.10791000\n_cell_angle_beta 89.99733000\n_cell_angle_gamma 89.99867000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.51769305\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14203754 0.77966729 0.13003882 1\n C C1 1 0.47160286 0.13384333 0.14174482 1\n C C2 1 0.47163027 0.14042911 0.79766333 1\n C C3 1 0.14229801 0.49321718 0.80892075 1\n C C4 1 0.85539484 0.14063704 0.29768018 1\n C C5 1 0.18477356 0.49343287 0.30890260 1\n C C6 1 0.85548077 1.13371265 0.64177340 1\n C C7 1 0.18506455 0.77946013 0.63004399 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43191000\n_cell_length_b 3.95964000\n_cell_length_c 4.68163000\n_cell_angle_alpha 84.29499000\n_cell_angle_beta 105.55702000\n_cell_angle_gamma 89.69127000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.19081461\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66501838 0.61608245 0.65047685 1\n C C1 1 -0.00081823 0.28066296 0.31842763 1\n C C2 1 0.88562191 0.06288927 0.09376722 1\n C C3 1 0.33125604 0.95011456 0.98326574 1\n C C4 1 0.21952625 -0.27196715 0.76135253 1\n C C5 1 0.55366856 0.39260082 0.42941222 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54904000\n_cell_length_b 2.43780000\n_cell_length_c 6.91334000\n_cell_angle_alpha 70.12394000\n_cell_angle_beta 99.99125000\n_cell_angle_gamma 87.66755000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.55689206\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44418671 0.21429083 0.02652462 1\n C C1 1 0.60910316 0.38812590 0.35609022 1\n C C2 1 0.55516410 -0.00521258 0.24825649 1\n C C3 1 0.39193340 0.82050902 -0.08114765 1\n C C4 1 0.72436229 0.15831355 0.58550564 1\n C C5 1 0.27782754 0.05119677 0.68949678 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.69562000\n_cell_length_b 4.68937000\n_cell_length_c 4.52646000\n_cell_angle_alpha 85.34958000\n_cell_angle_beta 105.09404000\n_cell_angle_gamma 74.25352000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.45696549\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02722316 0.16550604 0.49120185 1\n C C1 1 0.36903525 0.88641559 -0.02584846 1\n C C2 1 0.77342796 0.31176647 0.16784345 1\n C C3 1 -0.05295175 0.64820229 0.52071290 1\n C C4 1 0.67318671 0.64497869 0.20137278 1\n C C5 1 0.26815657 0.21961436 1.00775917 1\n C C6 1 0.09709586 0.88182908 0.65451534 1\n C C7 1 1.07107625 0.36411878 0.68383337 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42055000\n_cell_length_b 4.80269000\n_cell_length_c 3.42617000\n_cell_angle_alpha 108.68859000\n_cell_angle_beta 91.03819000\n_cell_angle_gamma 108.64322000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.06153228\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75531510 0.08635819 -0.02573751 1\n C C1 1 0.93462656 0.73135970 0.50538632 1\n C C2 1 0.61058911 0.73133307 0.82935611 1\n C C3 1 0.25518850 0.58627932 0.47434558 1\n C C4 1 0.11072072 0.23127584 0.32924996 1\n C C5 1 0.08023758 0.08638590 0.64940937 1\n C C6 1 0.43475165 0.23143149 1.00528631 1\n C C7 1 0.58012328 0.58644738 0.14951486 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48766000\n_cell_length_b 2.48728000\n_cell_length_c 6.09128000\n_cell_angle_alpha 89.99021000\n_cell_angle_beta 89.99485000\n_cell_angle_gamma 60.00163000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.64089230\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04441202 0.85158008 0.52156834 1\n C C1 1 0.71107869 0.51824674 0.18823501 1\n C C2 1 0.37791585 0.18489986 0.60510459 1\n C C3 1 0.71124918 0.51823319 -0.06156207 1\n C C4 1 0.37774535 0.18491341 0.85490167 1\n C C5 1 0.04458251 -0.14843348 0.27177126 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47765000\n_cell_length_b 2.47837000\n_cell_length_c 6.31089000\n_cell_angle_alpha 89.99184000\n_cell_angle_beta 101.33657000\n_cell_angle_gamma 120.03429000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67318658\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36019530 -0.04283104 -0.10004019 1\n C C1 1 -0.08688229 0.73311473 0.23123300 1\n C C2 1 0.30210940 0.42842927 0.31459767 1\n C C3 1 0.19258111 0.87550586 0.64900020 1\n C C4 1 0.46998569 0.51421288 0.56546515 1\n C C5 1 0.74904029 0.65075850 0.98360087 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44630000\n_cell_length_b 4.56651000\n_cell_length_c 6.24455000\n_cell_angle_alpha 87.90663000\n_cell_angle_beta 78.64242000\n_cell_angle_gamma 105.53154000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.59983329\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85320832 0.43595275 0.64919470 1\n C C1 1 0.04482669 1.01558042 0.83828387 1\n C C2 1 0.43115426 0.16572700 0.22542704 1\n C C3 1 0.63633569 0.68703670 0.33482953 1\n C C4 1 0.63870718 0.48476742 0.12295499 1\n C C5 1 0.24699270 0.34896375 0.77213108 1\n C C6 1 1.03202922 0.60013007 0.45681484 1\n C C7 1 0.24204422 0.55049020 0.98254132 1\n C C8 1 0.45376927 0.86967338 0.88037564 1\n C C9 1 0.83937685 0.02059561 0.26955598 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47364000\n_cell_length_b 4.80276000\n_cell_length_c 4.80293000\n_cell_angle_alpha 52.93145000\n_cell_angle_beta 75.07918000\n_cell_angle_gamma 75.07178000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60431773\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24857053 0.65477766 0.26177949 1\n C C1 1 1.18628304 0.05117341 0.99120502 1\n C C2 1 -0.25142947 0.15477766 0.76177949 1\n C C3 1 0.99865461 0.23814561 0.17840875 1\n C C4 1 0.68628304 0.55117341 0.49120502 1\n C C5 1 0.49865461 0.73814561 0.67840875 1\n C C6 1 0.43619896 0.46780546 0.07457576 1\n C C7 1 -0.06380104 0.96780546 0.57457576 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43107000\n_cell_length_b 4.20474000\n_cell_length_c 6.14843000\n_cell_angle_alpha 65.73367000\n_cell_angle_beta 87.95762000\n_cell_angle_gamma 89.93635000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.25358125\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72265117 0.63818159 0.61499503 1\n C C1 1 0.80351829 0.63099708 0.11566052 1\n C C2 1 0.80344638 -0.03700508 0.11698405 1\n C C3 1 0.22257926 0.47017943 0.61631856 1\n C C4 1 0.22265117 0.13818159 0.61499503 1\n C C5 1 0.30344638 0.46299492 0.11698405 1\n C C6 1 0.72257926 -0.02982057 0.61631856 1\n C C7 1 0.30351829 1.13099708 0.11566052 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48447000\n_cell_length_b 4.08577000\n_cell_length_c 4.67890000\n_cell_angle_alpha 96.66507000\n_cell_angle_beta 105.39543000\n_cell_angle_gamma 90.00701000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45787711\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05715621 1.13191964 0.95644082 1\n C C1 1 0.90045541 -0.04821143 0.64250126 1\n C C2 1 0.84432582 0.59586056 0.52665737 1\n C C3 1 0.32866777 0.07061214 0.49811596 1\n C C4 1 0.55614191 0.35878289 0.95398573 1\n C C5 1 0.67485061 0.66498103 0.18628093 1\n C C6 1 0.38632698 0.42604087 0.61243862 1\n C C7 1 0.17367170 0.88991730 1.18424782 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48763000\n_cell_length_b 3.51630000\n_cell_length_c 4.30545000\n_cell_angle_alpha 65.90522000\n_cell_angle_beta 73.17821000\n_cell_angle_gamma 90.00482000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60578828\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59014665 0.73445188 0.02253553 1\n C C1 1 0.25681332 0.40111855 0.68920220 1\n C C2 1 0.75677895 0.65062812 0.68944410 1\n C C3 1 0.42344561 0.31729479 0.35611077 1\n C C4 1 1.09011228 -0.01603855 0.02277743 1\n C C5 1 -0.07652001 0.06778521 0.35586887 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48570000\n_cell_length_b 5.30056000\n_cell_length_c 4.06393000\n_cell_angle_alpha 104.08461000\n_cell_angle_beta 90.06435000\n_cell_angle_gamma 117.76133000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.54647957\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32784888 0.86875441 0.74058651 1\n C C1 1 0.10393090 0.64468426 0.94261198 1\n C C2 1 0.59917012 0.63969564 0.16820659 1\n C C3 1 0.79445420 0.33682958 0.71091702 1\n C C4 1 0.63521409 0.17703469 0.97483569 1\n C C5 1 0.24989007 0.29228271 0.17632776 1\n C C6 1 0.18056029 0.22261859 0.50952903 1\n C C7 1 -0.16680704 0.87420313 0.51644272 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.22181000\n_cell_length_b 3.64291000\n_cell_length_c 4.26956000\n_cell_angle_alpha 63.08212000\n_cell_angle_beta 101.27342000\n_cell_angle_gamma 91.90540000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.73195628\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06869359 0.81920620 0.73848980 1\n C C1 1 0.76301247 0.47364785 0.43064485 1\n C C2 1 0.26108975 0.41330224 0.93141620 1\n C C3 1 0.57099971 0.26016847 0.23720944 1\n C C4 1 0.76335463 0.85424975 0.43006197 1\n C C5 1 0.06900275 0.19965669 0.73812775 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.70239000\n_cell_length_b 4.45988000\n_cell_length_c 4.28218000\n_cell_angle_alpha 68.71119000\n_cell_angle_beta 97.12985000\n_cell_angle_gamma 61.19894000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.72212476\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71029116 0.76744424 0.34210087 1\n C C1 1 0.57277062 0.48910029 0.42072270 1\n C C2 1 0.17425980 0.78917948 0.75992840 1\n C C3 1 0.36280344 0.14383768 1.17678480 1\n C C4 1 0.11935894 0.75734957 0.42312640 1\n C C5 1 0.90037765 0.12143447 0.75896323 1\n C C6 1 0.95456092 0.15308599 0.09582301 1\n C C7 1 0.50125019 0.42160638 0.09812389 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68983000\n_cell_length_b 2.48186000\n_cell_length_c 4.84698000\n_cell_angle_alpha 104.85416000\n_cell_angle_beta 68.40515000\n_cell_angle_gamma 70.34760000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01382387\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.17164763 1.18945765 1.12059552 1\n C C1 1 0.48544241 0.21166563 0.82325019 1\n C C2 1 0.30172985 0.91443664 0.04550887 1\n C C3 1 0.95895572 0.93756725 0.74788525 1\n C C4 1 0.24693765 0.22758925 0.61677700 1\n C C5 1 0.54067480 0.89808898 0.25166737 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42575000\n_cell_length_b 4.21814000\n_cell_length_c 5.96349000\n_cell_angle_alpha 135.02559000\n_cell_angle_beta 90.13220000\n_cell_angle_gamma 89.92705000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.12779553\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14272237 -0.16961235 1.05356395 1\n C C1 1 0.14250021 1.23797725 0.40156463 1\n C C2 1 0.64256748 0.64591399 0.89775046 1\n C C3 1 0.14280433 0.64615408 0.46198591 1\n C C4 1 0.64306536 0.23794764 0.54983439 1\n C C5 1 0.64287225 0.83006838 0.48981535 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.22849000\n_cell_length_b 2.46910000\n_cell_length_c 5.19132000\n_cell_angle_alpha 89.99833000\n_cell_angle_beta 89.86603000\n_cell_angle_gamma 112.45388000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.24498590\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09033785 0.92954200 0.38902067 1\n C C1 1 0.08837034 0.42837763 0.98031153 1\n C C2 1 0.45043593 0.60993360 0.76111129 1\n C C3 1 0.72710585 0.24755133 0.76126689 1\n C C4 1 0.08857406 0.92848358 0.13302520 1\n C C5 1 0.09032407 0.42953876 0.54171382 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.79072000\n_cell_length_b 2.98210000\n_cell_length_c 4.41410000\n_cell_angle_alpha 112.87889000\n_cell_angle_beta 95.49291000\n_cell_angle_gamma 73.17960000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.60467639\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17189648 0.54670894 0.72456840 1\n C C1 1 0.94541245 0.63771483 0.22394965 1\n C C2 1 0.94834664 0.50677736 0.87308368 1\n C C3 1 0.68846360 0.39466782 0.71136709 1\n C C4 1 0.43331624 1.03424194 0.21127684 1\n C C5 1 0.68732792 0.01898596 0.38716851 1\n C C6 1 0.17499500 0.41675554 0.37371153 1\n C C7 1 0.43251518 0.65534051 -0.11239940 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48431000\n_cell_length_b 4.08914000\n_cell_length_c 4.67476000\n_cell_angle_alpha 96.68910000\n_cell_angle_beta 74.58322000\n_cell_angle_gamma 89.99211000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44502502\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19751526 0.88758949 0.46998003 1\n C C1 1 0.92758954 0.82612695 0.01115291 1\n C C2 1 0.58118614 0.42033117 0.69845478 1\n C C3 1 0.86817252 0.18164245 0.12610802 1\n C C4 1 0.69827590 0.11420125 0.46800213 1\n C C5 1 0.35569512 0.70810342 0.15508755 1\n C C6 1 0.41009461 0.35237401 0.04021685 1\n C C7 1 0.08269361 0.64513657 0.69624463 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46826000\n_cell_length_b 4.26004000\n_cell_length_c 6.53308000\n_cell_angle_alpha 103.03863000\n_cell_angle_beta 79.13240000\n_cell_angle_gamma 89.99909000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.65824527\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.13704126 0.66273099 0.99573366 1\n C C1 1 0.27439812 0.01264932 0.75572111 1\n C C2 1 0.85877429 0.52032465 0.75520080 1\n C C3 1 0.45961102 0.19993777 0.10495703 1\n C C4 1 0.06084028 0.70840811 0.34593083 1\n C C5 1 0.82650256 0.15701963 0.67622212 1\n C C6 1 0.50811032 0.57369518 0.43124754 1\n C C7 1 0.30694705 0.56554727 0.10516525 1\n C C8 1 0.38927458 0.65482009 0.66956624 1\n C C9 1 0.47708565 0.21658826 0.34517866 1\n C C10 1 1.01516372 0.02833814 -0.00451524 1\n C C11 1 0.95179526 0.07127819 0.42397391 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42434000\n_cell_length_b 4.84717000\n_cell_length_c 4.20094000\n_cell_angle_alpha 92.06587000\n_cell_angle_beta 89.99214000\n_cell_angle_gamma 120.05028000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.69363294\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13693467 0.91040830 0.96844388 1\n C C1 1 0.72843611 0.50464088 0.37479397 1\n C C2 1 0.72866032 0.00378284 0.46790532 1\n C C3 1 0.67007981 -0.05734357 0.81425166 1\n C C4 1 0.07633607 0.85125064 0.31506013 1\n C C5 1 0.07408251 0.35062400 0.40896413 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49423000\n_cell_length_b 3.42074000\n_cell_length_c 7.20663000\n_cell_angle_alpha 61.77737000\n_cell_angle_beta 80.00348000\n_cell_angle_gamma 68.59959000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.44247600\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71738232 0.98260078 0.49990234 1\n C C1 1 -0.09537824 0.21046122 0.89432165 1\n C C2 1 0.12909692 0.81805414 0.83944305 1\n C C3 1 0.90704927 0.76328727 0.33916756 1\n C C4 1 0.31980087 0.04271501 0.23368803 1\n C C5 1 0.31736642 0.27868084 0.99980927 1\n C C6 1 0.13099447 0.26122209 0.39453425 1\n C C7 1 0.71623497 0.74986634 0.73375625 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47589000\n_cell_length_b 4.18359000\n_cell_length_c 4.79151000\n_cell_angle_alpha 64.12831000\n_cell_angle_beta 89.99780000\n_cell_angle_gamma 89.99359000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.65664105\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16945188 1.11502925 0.42375414 1\n C C1 1 0.66956938 0.50139151 0.91155273 1\n C C2 1 0.66938326 0.69200175 0.26946797 1\n C C3 1 1.16921562 0.07837716 0.75763222 1\n C C4 1 0.66923696 0.87156279 0.91221925 1\n C C5 1 0.16939009 0.74432278 0.42469446 1\n C C6 1 0.66944330 0.32221695 0.26861324 1\n C C7 1 0.16946381 0.44801252 0.75785639 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51614000\n_cell_length_b 5.05449000\n_cell_length_c 3.94114000\n_cell_angle_alpha 88.23298000\n_cell_angle_beta 99.88726000\n_cell_angle_gamma 110.90966000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.10111524\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02899531 0.32799068 0.05304093 1\n C C1 1 -0.07370495 0.04394216 0.23778952 1\n C C2 1 0.90370131 0.54113083 0.52322864 1\n C C3 1 0.24888430 0.80120617 0.72675297 1\n C C4 1 0.81134137 0.29887723 0.68265457 1\n C C5 1 0.78801726 0.79612518 0.96799113 1\n C C6 1 0.68555760 0.51220748 0.15349898 1\n C C7 1 0.46549140 0.03882786 0.47884216 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50922000\n_cell_length_b 5.57203000\n_cell_length_c 4.67509000\n_cell_angle_alpha 84.38590000\n_cell_angle_beta 90.01136000\n_cell_angle_gamma 63.24013000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.01208588\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18504010 0.20923287 0.12099710 1\n C C1 1 0.64280380 0.25102250 0.93977860 1\n C C2 1 0.44287176 0.95295405 0.61165610 1\n C C3 1 0.78038424 0.11522513 0.66434526 1\n C C4 1 0.36232111 0.53279180 0.76879393 1\n C C5 1 0.70132576 0.69466789 0.82071542 1\n C C6 1 0.45893923 0.93518431 0.28911551 1\n C C7 1 -0.04392146 0.43895371 0.31182990 1\n C C8 1 0.49785044 0.39670976 0.49291055 1\n C C9 1 0.68204951 0.71411546 0.14388074 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42864000\n_cell_length_b 5.20533000\n_cell_length_c 5.86008000\n_cell_angle_alpha 53.70889000\n_cell_angle_beta 89.59277000\n_cell_angle_gamma 89.77441000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.71038204\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31745092 0.46883754 0.25536368 1\n C C1 1 -0.18263389 0.96899277 0.00543964 1\n C C2 1 0.81762700 0.96899234 0.50537454 1\n C C3 1 0.81751551 0.63529091 0.17222465 1\n C C4 1 0.81770952 0.63528035 0.67216778 1\n C C5 1 0.31759562 0.46884615 0.75530038 1\n C C6 1 0.31738803 0.13544101 0.92191718 1\n C C7 1 0.31761068 0.13545495 0.42189305 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28993000\n_cell_length_b 3.28464000\n_cell_length_c 4.79903000\n_cell_angle_alpha 107.28650000\n_cell_angle_beta 73.06255000\n_cell_angle_gamma 81.88903000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.87424019\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19003500 0.37155179 0.23302653 1\n C C1 1 0.82964070 0.23221821 0.73298358 1\n C C2 1 0.82960727 0.73206884 0.23300640 1\n C C3 1 0.46827594 0.05173665 0.91352117 1\n C C4 1 0.82939925 0.69173052 0.91355703 1\n C C5 1 0.19003406 0.87168041 0.73302853 1\n C C6 1 0.46826499 0.55156496 0.41355818 1\n C C7 1 0.82943739 1.19154632 0.41353998 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43026000\n_cell_length_b 4.67909000\n_cell_length_c 8.72607000\n_cell_angle_alpha 111.68069000\n_cell_angle_beta 96.77727000\n_cell_angle_gamma 105.94672000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.94243434\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48650711 0.24898228 0.96337757 1\n C C1 1 0.15328013 0.24898310 0.29668668 1\n C C2 1 0.54277066 0.08281117 0.24015324 1\n C C3 1 0.82021670 0.24906501 0.62992292 1\n C C4 1 -0.29055862 0.58251982 0.07430328 1\n C C5 1 1.20973797 1.08289801 0.57337353 1\n C C6 1 0.37643461 0.58257513 0.40756634 1\n C C7 1 -0.12393315 0.08284114 0.90680616 1\n C C8 1 0.65321873 0.74914656 0.79619092 1\n C C9 1 0.04307847 0.58261407 0.74085731 1\n C C10 1 0.31959806 0.74906259 0.12961792 1\n C C11 1 0.98663863 0.74914971 0.46285435 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46018000\n_cell_length_b 4.15719000\n_cell_length_c 6.11189000\n_cell_angle_alpha 81.18022000\n_cell_angle_beta 65.72296000\n_cell_angle_gamma 87.65907000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.29030838\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05607971 0.95643618 0.78161504 1\n C C1 1 0.00346085 0.30259906 0.65602588 1\n C C2 1 0.79882090 -0.01962683 0.41368788 1\n C C3 1 0.18294476 0.82546200 0.17826628 1\n C C4 1 0.39523710 0.45571948 0.74621039 1\n C C5 1 0.81528602 -0.02330076 0.04330334 1\n C C6 1 0.34137823 0.45442544 0.16425238 1\n C C7 1 0.53322581 0.81229180 0.67980069 1\n C C8 1 0.25040367 0.21429677 0.40352965 1\n C C9 1 0.98540105 0.35472037 0.02716839 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43110000\n_cell_length_b 3.60567000\n_cell_length_c 5.86398000\n_cell_angle_alpha 98.47408000\n_cell_angle_beta 83.74924000\n_cell_angle_gamma 120.76725000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.65128538\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.18758370 0.07888274 0.12302577 1\n C C1 1 0.52088013 0.74551085 0.78970600 1\n C C2 1 0.07484189 0.85594247 0.90199294 1\n C C3 1 -0.25848533 0.18927979 0.23532365 1\n C C4 1 0.85420734 0.41217353 0.45637529 1\n C C5 1 0.40813832 0.52257058 0.56867317 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.07756000\n_cell_length_b 2.42983000\n_cell_length_c 5.88374000\n_cell_angle_alpha 101.29663000\n_cell_angle_beta 85.53736000\n_cell_angle_gamma 88.71635000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.98317963\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68499886 0.30882763 0.03676049 1\n C C1 1 0.24094614 0.53188441 0.48187468 1\n C C2 1 0.57433979 0.86521454 0.14855783 1\n C C3 1 0.35153845 -0.02452063 0.37005087 1\n C C4 1 0.90772705 0.19856592 0.81525733 1\n C C5 1 0.01830580 0.64215723 0.70342690 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47570000\n_cell_length_b 4.79262000\n_cell_length_c 4.18403000\n_cell_angle_alpha 64.10911000\n_cell_angle_beta 90.00130000\n_cell_angle_gamma 90.00095000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.66099443\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05761641 0.71790152 0.31542142 1\n C C1 1 0.05770608 0.05167894 0.27855238 1\n C C2 1 0.05789174 0.05174445 0.64830479 1\n C C3 1 1.05771595 0.71837579 0.94516870 1\n C C4 1 0.55763467 0.56282809 0.52269423 1\n C C5 1 0.55769349 0.20614934 1.07175525 1\n C C6 1 0.55791290 0.20602894 0.70130324 1\n C C7 1 0.55762396 0.56321783 0.89271339 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48368000\n_cell_length_b 5.01010000\n_cell_length_c 4.05185000\n_cell_angle_alpha 113.92391000\n_cell_angle_beta 101.02240000\n_cell_angle_gamma 85.48819000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.23713347\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31588687 0.58839929 0.05501399 1\n C C1 1 0.45121849 0.30453668 0.10268862 1\n C C2 1 -0.04811476 1.11277206 1.00714117 1\n C C3 1 0.76416398 0.58839698 0.82421070 1\n C C4 1 1.13016271 0.11262194 0.39637105 1\n C C5 1 0.62952002 0.30437313 0.49195867 1\n C C6 1 0.26504506 0.82878849 0.44403147 1\n C C7 1 0.81669803 0.82880992 0.67492522 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53754000\n_cell_length_b 4.26006000\n_cell_length_c 5.28454000\n_cell_angle_alpha 113.76439000\n_cell_angle_beta 103.98540000\n_cell_angle_gamma 90.03727000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.42266009\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71124551 0.84930900 0.81205947 1\n C C1 1 0.44649096 0.23934769 0.27958391 1\n C C2 1 0.44655200 0.56208449 0.27964261 1\n C C3 1 0.71150271 0.48476927 0.81204537 1\n C C4 1 0.56721726 0.18530508 0.52465537 1\n C C5 1 0.28710766 0.05491207 -0.04013633 1\n C C6 1 0.28723226 0.42728662 0.95994642 1\n C C7 1 0.56725834 0.86126407 0.52469908 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43189000\n_cell_length_b 5.41439000\n_cell_length_c 8.46414000\n_cell_angle_alpha 131.22217000\n_cell_angle_beta 98.12290000\n_cell_angle_gamma 90.02413000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 82.32917417\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91056925 0.29468257 0.60504780 1\n C C1 1 0.60448376 0.41763170 0.98642638 1\n C C2 1 0.35921835 0.16012827 0.50128468 1\n C C3 1 0.53394472 0.04278601 0.83796185 1\n C C4 1 0.02418331 0.62185621 0.82600188 1\n C C5 1 0.69989199 0.96988364 0.18763570 1\n C C6 1 0.72103987 0.28700537 0.24088635 1\n C C7 1 0.02309201 -0.10603275 0.81535911 1\n C C8 1 0.21818380 0.40345370 0.23406619 1\n C C9 1 0.23857087 0.91624005 0.26585545 1\n C C10 1 0.17510406 0.54468929 0.13291452 1\n C C11 1 0.58162502 0.65521135 0.94388758 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31283000\n_cell_length_b 3.29240000\n_cell_length_c 5.22330000\n_cell_angle_alpha 64.40042000\n_cell_angle_beta 94.95949000\n_cell_angle_gamma 79.74066000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.69285753\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81927865 0.33045707 0.29782840 1\n C C1 1 0.04168256 0.40384373 0.75670604 1\n C C2 1 0.27415708 0.03357362 0.01264252 1\n C C3 1 0.71594392 0.73099543 0.75696976 1\n C C4 1 0.49821923 1.10818430 0.47144194 1\n C C5 1 0.18179911 0.96701543 0.29764619 1\n C C6 1 0.59993114 0.70659920 1.01255182 1\n C C7 1 0.13551421 0.47169512 0.47158923 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25291000\n_cell_length_b 3.28417000\n_cell_length_c 3.63203000\n_cell_angle_alpha 75.41679000\n_cell_angle_beta 75.61491000\n_cell_angle_gamma 80.90152000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.18444310\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70885009 0.60468542 0.45046493 1\n C C1 1 0.34708634 -0.03339506 0.44970729 1\n C C2 1 0.76517688 0.33941947 0.83165069 1\n C C3 1 0.13574569 0.75411551 0.21172235 1\n C C4 1 0.49612204 0.39315626 0.21254412 1\n C C5 1 0.08114707 0.02175400 0.83074131 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47333000\n_cell_length_b 4.91679000\n_cell_length_c 4.64543000\n_cell_angle_alpha 85.38642000\n_cell_angle_beta 86.17191000\n_cell_angle_gamma 81.94006000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.66489704\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10125369 0.97332746 0.97913425 1\n C C1 1 0.67877272 0.38770033 0.80350503 1\n C C2 1 0.67927119 0.64369091 0.31736196 1\n C C3 1 0.56199696 0.88340304 0.51630850 1\n C C4 1 0.14058910 0.55445741 0.85455801 1\n C C5 1 1.06649038 0.84083222 0.69621669 1\n C C6 1 0.56306221 0.14022504 1.03021881 1\n C C7 1 0.42501459 0.18402940 0.36389190 1\n C C8 1 -0.18368098 0.34332054 0.46997037 1\n C C9 1 0.17480173 0.68640285 0.13759508 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43719000\n_cell_length_b 4.22917000\n_cell_length_c 6.53217000\n_cell_angle_alpha 95.25495000\n_cell_angle_beta 79.20859000\n_cell_angle_gamma 89.99418000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.85006608\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.14948900 0.75590541 0.24197688 1\n C C1 1 0.32455235 0.11258738 0.87772458 1\n C C2 1 0.81285750 0.62539135 0.90948707 1\n C C3 1 0.81782377 0.27187374 0.89222043 1\n C C4 1 0.52776788 0.35970230 0.50451648 1\n C C5 1 0.48962581 0.70755994 0.56836242 1\n C C6 1 0.36202661 0.76533865 0.81387221 1\n C C7 1 0.03499619 0.20042362 0.48845863 1\n C C8 1 0.03806096 -0.15247884 0.47253647 1\n C C9 1 0.70061973 0.71889805 0.13928911 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31572000\n_cell_length_b 4.68581000\n_cell_length_c 5.94173000\n_cell_angle_alpha 59.12351000\n_cell_angle_beta 80.09809000\n_cell_angle_gamma 69.55143000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.23647149\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20580938 0.58237386 0.26176572 1\n C C1 1 0.41379902 0.44135532 0.84464542 1\n C C2 1 0.57821996 0.96115242 0.60738535 1\n C C3 1 0.09923112 0.54522323 0.02395568 1\n C C4 1 0.41124624 0.09823993 0.90883421 1\n C C5 1 0.94703091 0.23221353 0.18667488 1\n C C6 1 1.19577025 -0.05037889 0.16263251 1\n C C7 1 0.60040234 0.63510310 0.62064933 1\n C C8 1 0.14646856 0.10648311 0.70932779 1\n C C9 1 0.83282317 0.90003537 0.83266387 1\n C C10 1 -0.35260646 0.29402081 0.37851322 1\n C C11 1 -0.11116329 0.44000622 0.48487693 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42948000\n_cell_length_b 3.25767000\n_cell_length_c 10.54019000\n_cell_angle_alpha 85.45220000\n_cell_angle_beta 88.67131000\n_cell_angle_gamma 101.73184000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.35388175\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00448437 -0.08755057 0.73421387 1\n C C1 1 0.71780276 1.04428708 0.32784476 1\n C C2 1 0.03862006 0.25063041 0.11221693 1\n C C3 1 0.54465454 0.14710586 0.91556375 1\n C C4 1 0.24183659 0.58450129 0.19617324 1\n C C5 1 1.05189785 0.21152652 0.97720332 1\n C C6 1 0.46601686 0.70923868 0.54857018 1\n C C7 1 0.27322832 0.33287146 0.32932391 1\n C C8 1 0.47633572 0.66563493 0.41398793 1\n C C9 1 0.51824229 -0.00535134 0.79308692 1\n C C10 1 0.97339799 0.77035817 0.61068368 1\n C C11 1 0.79643214 0.87111321 0.19750882 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42912000\n_cell_length_b 4.15366000\n_cell_length_c 6.30573000\n_cell_angle_alpha 77.95773000\n_cell_angle_beta 78.95933000\n_cell_angle_gamma 90.00085000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.01844961\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02015552 1.07705568 0.32788644 1\n C C1 1 0.11934433 0.72745446 0.04847439 1\n C C2 1 0.42875889 0.11487245 0.42990003 1\n C C3 1 0.77257204 0.23349898 0.74384124 1\n C C4 1 0.32452381 0.20254003 0.64005973 1\n C C5 1 1.09970694 0.06437341 0.08979703 1\n C C6 1 0.65227641 0.24320430 -0.01765870 1\n C C7 1 0.63252241 0.58010848 1.02272593 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45325000\n_cell_length_b 3.40717000\n_cell_length_c 5.79571000\n_cell_angle_alpha 105.24503000\n_cell_angle_beta 77.83772000\n_cell_angle_gamma 68.77589000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.97208783\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26977809 0.38484357 0.08666056 1\n C C1 1 1.01973437 0.60697731 0.36271497 1\n C C2 1 0.62202301 0.86967279 0.89522548 1\n C C3 1 -0.20604638 0.46494799 0.95637389 1\n C C4 1 0.39582469 0.72789577 0.48897798 1\n C C5 1 1.14600312 -0.05000462 0.76503483 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.53752000\n_cell_length_b 4.47068000\n_cell_length_c 4.28714000\n_cell_angle_alpha 116.36794000\n_cell_angle_beta 88.66301000\n_cell_angle_gamma 107.19620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.56843076\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92422859 -0.02652419 0.70098074 1\n C C1 1 0.52706642 1.04955242 0.24701469 1\n C C2 1 1.10072321 0.45683843 0.14187066 1\n C C3 1 0.34745033 0.25719544 0.86198415 1\n C C4 1 0.14591969 0.42718750 0.47338680 1\n C C5 1 0.67971486 0.17378034 -0.01898962 1\n C C6 1 0.49771426 0.38112988 0.59570133 1\n C C7 1 0.10363747 0.78239146 0.11761681 1\n C C8 1 0.87816783 0.00304187 0.36975730 1\n C C9 1 0.92049724 0.64787525 0.72513323 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48403000\n_cell_length_b 3.92430000\n_cell_length_c 6.39699000\n_cell_angle_alpha 79.48693000\n_cell_angle_beta 78.77469000\n_cell_angle_gamma 71.57742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.53862865\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72371183 0.76727750 0.60302086 1\n C C1 1 0.74078618 0.96435982 0.37179028 1\n C C2 1 0.53522564 0.33180613 0.41872805 1\n C C3 1 0.33006837 -0.08676344 0.24561322 1\n C C4 1 0.53871944 0.54395708 0.20023119 1\n C C5 1 0.12275683 0.51296098 0.06294046 1\n C C6 1 0.34850393 0.10905038 0.01510389 1\n C C7 1 -0.02045065 0.93261645 0.92736425 1\n C C8 1 -0.04907558 0.36372967 0.55517129 1\n C C9 1 1.09358791 -0.05859067 0.69103031 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43320000\n_cell_length_b 3.13215000\n_cell_length_c 8.44057000\n_cell_angle_alpha 101.49269000\n_cell_angle_beta 81.99370000\n_cell_angle_gamma 112.48781000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.10230908\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78134500 0.56368172 0.94007385 1\n C C1 1 0.28160350 0.64933540 1.02330533 1\n C C2 1 0.28200645 1.31461736 0.68973638 1\n C C3 1 0.78735019 0.07484257 0.43902857 1\n C C4 1 0.78118726 0.39768347 0.77313363 1\n C C5 1 0.28619518 0.15754477 0.52255522 1\n C C6 1 0.28526858 0.82151470 0.18949868 1\n C C7 1 0.78562015 0.90731791 0.27278283 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26705000\n_cell_length_b 3.27614000\n_cell_length_c 4.23550000\n_cell_angle_alpha 95.24638000\n_cell_angle_beta 123.96501000\n_cell_angle_gamma 99.13541000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.21264900\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55982125 0.76331703 0.87425827 1\n C C1 1 0.19822349 0.40221493 0.87345960 1\n C C2 1 0.76143942 0.13529902 0.49215872 1\n C C3 1 1.00952661 0.54874506 0.11116384 1\n C C4 1 0.44643686 0.81712160 0.49268882 1\n C C5 1 0.64761497 0.18863456 0.11058825 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30844000\n_cell_length_b 2.46606000\n_cell_length_c 6.67447000\n_cell_angle_alpha 104.07000000\n_cell_angle_beta 106.36958000\n_cell_angle_gamma 76.22739000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.83267194\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00487257 0.55281869 1.10020679 1\n C C1 1 0.66583715 0.37216667 0.88692140 1\n C C2 1 0.77419337 0.41208995 0.38865164 1\n C C3 1 0.70828450 0.84865183 0.26003968 1\n C C4 1 0.95539221 0.07841517 0.72780277 1\n C C5 1 0.26861908 0.97765810 0.10067580 1\n C C6 1 0.89092122 0.51493013 0.59908528 1\n C C7 1 0.39408664 0.94747896 0.88697264 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.59279000\n_cell_length_b 2.49085000\n_cell_length_c 4.35374000\n_cell_angle_alpha 106.60966000\n_cell_angle_beta 84.31136000\n_cell_angle_gamma 110.29579000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01829496\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48877057 0.48487231 0.69070949 1\n C C1 1 0.11965645 0.59251372 0.27265113 1\n C C2 1 0.85983605 -0.03794081 0.27267965 1\n C C3 1 0.48896189 -0.12084186 0.47851076 1\n C C4 1 0.85982233 0.77423773 0.89675982 1\n C C5 1 0.11927343 0.40321581 0.89660186 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44876000\n_cell_length_b 3.36956000\n_cell_length_c 7.57160000\n_cell_angle_alpha 94.17875000\n_cell_angle_beta 99.31894000\n_cell_angle_gamma 111.31409000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.84113390\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09054891 0.40708686 0.81983461 1\n C C1 1 0.76458629 0.46947016 0.10806779 1\n C C2 1 0.44368946 0.20410727 0.72872507 1\n C C3 1 0.41090406 0.47990739 0.39131845 1\n C C4 1 0.21611894 0.46427442 1.01611700 1\n C C5 1 0.18815959 0.74255140 0.67998618 1\n C C6 1 0.86380202 0.47610333 0.29971746 1\n C C7 1 0.53997913 0.53945705 0.58801784 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.93188000\n_cell_length_b 4.37858000\n_cell_length_c 5.29671000\n_cell_angle_alpha 111.08930000\n_cell_angle_beta 103.98667000\n_cell_angle_gamma 109.59863000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.02223733\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37906686 0.31144177 -0.00555348 1\n C C1 1 0.12630202 0.18276508 0.11958220 1\n C C2 1 0.63341222 0.69207265 0.11967768 1\n C C3 1 0.63089555 0.17563380 0.60299257 1\n C C4 1 0.37747986 0.04678492 0.72762816 1\n C C5 1 -0.27517167 0.02648581 0.35994933 1\n C C6 1 0.03126324 0.33178488 0.36184177 1\n C C7 1 0.88088414 0.80052828 0.98399807 1\n C C8 1 0.12378385 0.66619616 0.60291843 1\n C C9 1 0.87609024 0.55771673 0.73836488 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48811000\n_cell_length_b 4.30488000\n_cell_length_c 4.30536000\n_cell_angle_alpha 80.41888000\n_cell_angle_beta 73.20267000\n_cell_angle_gamma 89.98616000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47540093\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24762402 0.14827195 0.77606678 1\n C C1 1 0.68575297 -0.03903534 0.90103932 1\n C C2 1 0.93581668 0.71095218 0.40104454 1\n C C3 1 -0.00245414 0.39825969 0.27607087 1\n C C4 1 0.43560318 0.21095528 0.40104030 1\n C C5 1 0.49768773 0.89825947 0.27607201 1\n C C6 1 0.18589484 0.46096444 0.90104046 1\n C C7 1 0.74783752 0.64826885 0.77607103 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45308000\n_cell_length_b 6.70735000\n_cell_length_c 6.46897000\n_cell_angle_alpha 101.72135000\n_cell_angle_beta 79.79549000\n_cell_angle_gamma 105.08492000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 99.75405854\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29195019 0.88720131 1.10372548 1\n C C1 1 0.61263593 0.85382572 0.41861539 1\n C C2 1 0.35486327 0.60008937 0.60513484 1\n C C3 1 0.75942785 0.53444186 0.69649349 1\n C C4 1 0.63304306 0.56998224 0.92488978 1\n C C5 1 0.20320841 0.94571959 0.33520514 1\n C C6 1 0.53323868 0.85472767 0.65587287 1\n C C7 1 0.80980337 0.25472896 0.90843246 1\n C C8 1 1.01450382 0.48007607 0.01447763 1\n C C9 1 0.29167711 0.17927622 0.34324655 1\n C C10 1 0.23989549 0.15571162 0.85727646 1\n C C11 1 0.48053497 0.60890387 0.36663162 1\n C C12 1 0.85572499 0.28307457 0.32800628 1\n C C13 1 -0.03731030 0.49944041 0.26338053 1\n C C14 1 1.03834220 -0.07073716 0.77658896 1\n C C15 1 -0.18624225 0.83670758 -0.01062539 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.81257000\n_cell_length_b 4.21100000\n_cell_length_c 4.85449000\n_cell_angle_alpha 90.06658000\n_cell_angle_beta 52.26969000\n_cell_angle_gamma 73.46201000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.48865738\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45234805 0.70637501 0.29572995 1\n C C1 1 0.45653453 0.03865353 0.79365546 1\n C C2 1 0.45654736 0.53865582 0.54367125 1\n C C3 1 0.45247153 1.20636111 0.54567119 1\n C C4 1 0.45661812 1.03865456 0.29363821 1\n C C5 1 0.45665801 0.53863963 1.04359670 1\n C C6 1 0.45238793 0.20636009 0.04568844 1\n C C7 1 0.45245870 0.70635882 0.79565540 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48200000\n_cell_length_b 3.68955000\n_cell_length_c 4.21993000\n_cell_angle_alpha 75.18145000\n_cell_angle_beta 89.95284000\n_cell_angle_gamma 109.66510000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01905513\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29845037 0.05965844 0.46223559 1\n C C1 1 -0.02472440 0.41746377 0.76038421 1\n C C2 1 1.10102210 0.66166470 0.38702330 1\n C C3 1 0.77854927 1.02061896 0.68413020 1\n C C4 1 0.55401775 0.57486660 0.89090892 1\n C C5 1 0.52294881 0.50551544 0.25588068 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.30327000\n_cell_length_b 4.30325000\n_cell_length_c 4.76782000\n_cell_angle_alpha 90.00296000\n_cell_angle_beta 89.96871000\n_cell_angle_gamma 99.13616000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.17062592\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66812770 0.74474554 0.20536991 1\n C C1 1 1.00813068 0.19907414 0.47702816 1\n C C2 1 0.14121012 0.55094989 0.45382444 1\n C C3 1 0.00469881 0.68685654 0.70496062 1\n C C4 1 1.00598130 0.68607529 0.20504556 1\n C C5 1 0.47908780 0.95285093 0.70519858 1\n C C6 1 0.14104163 0.55096248 0.95624086 1\n C C7 1 0.73838971 0.21261946 0.70521788 1\n C C8 1 0.49212885 0.68399828 0.47718599 1\n C C9 1 0.49201441 0.68392748 0.93416923 1\n C C10 1 0.66515176 0.53634796 0.70524913 1\n C C11 1 0.00797964 0.19900275 -0.06579343 1\n C C12 1 0.94544510 1.02314240 0.20535536 1\n C C13 1 0.15466599 1.02584405 0.70528291 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48067000\n_cell_length_b 2.48100000\n_cell_length_c 8.17897000\n_cell_angle_alpha 90.01209000\n_cell_angle_beta 89.99754000\n_cell_angle_gamma 59.97838000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.58432598\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01932700 0.11917753 0.16260073 1\n C C1 1 1.01902112 0.11923820 -0.02337866 1\n C C2 1 1.01901611 0.11933953 0.66256282 1\n C C3 1 0.68574814 0.78584678 0.91394503 1\n C C4 1 0.35258859 0.45258905 0.22510086 1\n C C5 1 0.68573282 0.78594992 0.72506583 1\n C C6 1 0.01916416 0.11933269 0.47659489 1\n C C7 1 0.35246294 0.45270299 0.41395311 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48336000\n_cell_length_b 5.22928000\n_cell_length_c 3.82506000\n_cell_angle_alpha 80.84624000\n_cell_angle_beta 71.05546000\n_cell_angle_gamma 89.95421000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31517482\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75051835 1.01224893 0.79551937 1\n C C1 1 -0.21090152 0.73283360 0.72300342 1\n C C2 1 0.12393125 0.33862375 0.05000870 1\n C C3 1 0.00219800 0.78720540 0.29476992 1\n C C4 1 0.54870767 0.95219404 0.19960044 1\n C C5 1 1.17846764 0.62557784 0.94525300 1\n C C6 1 0.51287636 0.23149828 0.27234372 1\n C C7 1 0.29720815 0.17716736 0.70046615 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43461000\n_cell_length_b 4.85804000\n_cell_length_c 5.49036000\n_cell_angle_alpha 52.55511000\n_cell_angle_beta 68.92379000\n_cell_angle_gamma 82.40011000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.40355232\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70066622 1.04368445 0.75555142 1\n C C1 1 0.95583716 0.60401768 0.61089220 1\n C C2 1 -0.03983270 0.83977372 -0.03117383 1\n C C3 1 0.33969813 0.84693583 0.30898818 1\n C C4 1 0.62539571 0.60451539 0.28000583 1\n C C5 1 0.55704927 0.09904574 0.30610010 1\n C C6 1 0.25049754 0.03854583 -0.01493968 1\n C C7 1 0.63008755 0.84054380 0.63782568 1\n C C8 1 1.02821774 0.34511318 -0.05759250 1\n C C9 1 0.33433043 0.40525802 0.26397041 1\n C C10 1 0.88334825 0.40056138 0.49380327 1\n C C11 1 0.24600419 0.59717898 -0.06050447 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44884000\n_cell_length_b 3.37013000\n_cell_length_c 7.57203000\n_cell_angle_alpha 79.02882000\n_cell_angle_beta 80.65698000\n_cell_angle_gamma 68.66694000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.84857717\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25563745 0.53743315 0.88131424 1\n C C1 1 -0.12876859 0.59645939 0.59301332 1\n C C2 1 -0.04023523 0.61169340 0.40095508 1\n C C3 1 0.80957048 0.33705461 -0.02713177 1\n C C4 1 1.01760307 -0.12453426 1.02072539 1\n C C5 1 0.32798802 0.59056650 0.68494784 1\n C C6 1 0.57107289 0.67531471 0.11277961 1\n C C7 1 0.50137781 0.61985020 0.30919100 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.14240000\n_cell_length_b 3.41953000\n_cell_length_c 5.01348000\n_cell_angle_alpha 111.52750000\n_cell_angle_beta 89.97530000\n_cell_angle_gamma 127.31050000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.12269899\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20713973 0.49390750 0.70606567 1\n C C1 1 0.08760724 -0.16123569 0.79258656 1\n C C2 1 0.87941571 0.83876389 0.04265083 1\n C C3 1 0.41533126 0.49390791 0.95600140 1\n C C4 1 0.87941571 0.83876389 0.54265083 1\n C C5 1 0.08760724 0.83876431 0.29258656 1\n C C6 1 0.20713973 0.49390750 0.20606567 1\n C C7 1 0.41533126 0.49390791 0.45600140 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.24986000\n_cell_length_b 2.99579000\n_cell_length_c 4.79877000\n_cell_angle_alpha 72.80571000\n_cell_angle_beta 84.35186000\n_cell_angle_gamma 73.66396000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.00182169\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69282595 0.20599913 -0.11234805 1\n C C1 1 0.19289591 0.06585710 0.14349933 1\n C C2 1 0.70460021 0.79554919 0.40108598 1\n C C3 1 0.86781438 1.01389078 0.14292286 1\n C C4 1 0.36782408 0.15298938 0.88660721 1\n C C5 1 0.20600453 0.20645388 0.62474598 1\n C C6 1 0.85620334 0.42369910 0.62874224 1\n C C7 1 0.35505500 1.01704045 0.40372634 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51666000\n_cell_length_b 3.31955000\n_cell_length_c 3.51803000\n_cell_angle_alpha 90.01510000\n_cell_angle_beta 120.03006000\n_cell_angle_gamma 89.99146000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.55560901\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36852438 0.05335595 0.40589825 1\n C C1 1 0.59997710 0.88803646 0.17369314 1\n C C2 1 0.67312742 0.38803867 0.70994406 1\n C C3 1 -0.09484065 0.22058062 0.17382747 1\n C C4 1 0.90458421 0.55338065 0.47789112 1\n C C5 1 0.36793084 0.72062044 0.70976677 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43262000\n_cell_length_b 4.22719000\n_cell_length_c 4.81579000\n_cell_angle_alpha 82.25586000\n_cell_angle_beta 104.59209000\n_cell_angle_gamma 106.70691000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.79724761\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95850812 0.19852219 0.72806607 1\n C C1 1 0.59080098 0.67109622 0.51681408 1\n C C2 1 0.20329718 0.14566068 0.26903355 1\n C C3 1 0.12770762 0.56338463 0.69990177 1\n C C4 1 0.74010711 1.03795373 0.45226326 1\n C C5 1 0.37252542 0.51060661 0.24083058 1\n C C6 1 0.35546590 0.73655124 0.98139685 1\n C C7 1 0.97511196 0.97249309 0.98723715 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04013000\n_cell_length_b 2.43003000\n_cell_length_c 6.51042000\n_cell_angle_alpha 90.21657000\n_cell_angle_beta 105.34413000\n_cell_angle_gamma 113.16204000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.32667313\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12672056 0.06003147 0.05585448 1\n C C1 1 0.79153116 0.39251772 0.72307425 1\n C C2 1 1.24078395 0.61699555 0.16727942 1\n C C3 1 0.90775580 0.95051473 0.83346069 1\n C C4 1 0.57190199 0.28255558 0.50077517 1\n C C5 1 0.45690723 0.72500434 0.38983359 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47523000\n_cell_length_b 4.16088000\n_cell_length_c 6.89259000\n_cell_angle_alpha 107.60686000\n_cell_angle_beta 100.34104000\n_cell_angle_gamma 89.99915000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.45156550\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20371632 0.68690973 1.00020390 1\n C C1 1 0.54104013 0.52587652 0.67466435 1\n C C2 1 0.75936769 0.24265140 0.11077912 1\n C C3 1 0.86939231 0.22659786 0.33267555 1\n C C4 1 0.09267451 0.07833151 0.77841668 1\n C C5 1 1.20388404 0.06259257 1.00035599 1\n C C6 1 0.42096996 0.40847752 0.43613091 1\n C C7 1 0.54056117 0.89675527 0.67498952 1\n C C8 1 0.42097881 0.77906047 0.43634322 1\n C C9 1 -0.13061573 0.85788572 0.33297136 1\n C C10 1 0.75918383 0.61812691 0.11095196 1\n C C11 1 0.09352036 0.44739502 0.77818125 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29926000\n_cell_length_b 5.38125000\n_cell_length_c 6.52769000\n_cell_angle_alpha 106.99012000\n_cell_angle_beta 84.35469000\n_cell_angle_gamma 76.93753000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 106.27275513\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59783515 0.24247521 0.21372154 1\n C C1 1 0.73800650 0.91378941 0.66543234 1\n C C2 1 0.80515064 0.45779170 0.30182003 1\n C C3 1 0.53010526 0.16143262 0.61048100 1\n C C4 1 0.38042360 0.16302682 0.39127569 1\n C C5 1 0.15043854 0.51521768 0.96848091 1\n C C6 1 0.11405060 0.26976415 0.79106486 1\n C C7 1 0.37726081 0.79807426 0.72720966 1\n C C8 1 1.01012634 1.03058977 0.84433830 1\n C C9 1 0.77460464 0.37348206 0.68042877 1\n C C10 1 0.88185335 0.00197474 1.05645629 1\n C C11 1 0.00133825 0.42269658 0.49254566 1\n C C12 1 0.49549155 0.61905413 0.85592383 1\n C C13 1 0.14204732 0.69084111 0.54497535 1\n C C14 1 0.21567075 0.45358036 0.17100816 1\n C C15 1 0.35096669 0.89378653 0.23883888 1\n C C16 1 0.36273806 0.67050682 0.32793278 1\n C C17 1 0.72166165 0.75678546 1.03274216 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42560000\n_cell_length_b 4.21645000\n_cell_length_c 4.21638000\n_cell_angle_alpha 90.18903000\n_cell_angle_beta 89.94467000\n_cell_angle_gamma 90.02035000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.12243640\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10055721 -0.12197795 0.65138352 1\n C C1 1 0.10046666 0.47063281 0.24221666 1\n C C2 1 1.10040241 0.81823366 0.30349810 1\n C C3 1 0.60041959 0.90480333 0.80744721 1\n C C4 1 0.60052834 0.31449740 0.21534246 1\n C C5 1 0.60054109 0.96657804 0.15512624 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49033000\n_cell_length_b 4.28235000\n_cell_length_c 6.56619000\n_cell_angle_alpha 98.24904000\n_cell_angle_beta 100.85742000\n_cell_angle_gamma 87.78680000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.05501949\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33199908 0.14007344 0.46825023 1\n C C1 1 0.66822911 0.74240252 0.69268717 1\n C C2 1 0.14396159 0.26917529 0.80707713 1\n C C3 1 0.31407133 0.81013711 0.01592508 1\n C C4 1 0.68557834 0.64372344 0.45570479 1\n C C5 1 0.58289176 0.11213764 0.69853679 1\n C C6 1 0.89303474 0.83075809 0.14923297 1\n C C7 1 0.79658583 0.19633996 0.15680437 1\n C C8 1 0.14104504 0.79418462 0.37398195 1\n C C9 1 0.78818048 0.29949559 0.38949488 1\n C C10 1 0.20779654 0.62964708 0.80094127 1\n C C11 1 1.24492027 0.17698501 1.02260138 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48408000\n_cell_length_b 7.40709000\n_cell_length_c 8.29759000\n_cell_angle_alpha 72.32988000\n_cell_angle_beta 96.81063000\n_cell_angle_gamma 78.90235000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 140.16908995\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55078927 0.73315210 0.99995663 1\n C C1 1 0.52170033 0.58009719 0.76276418 1\n C C2 1 -0.00674626 0.36661789 0.43395405 1\n C C3 1 0.96237344 0.48087546 0.55283555 1\n C C4 1 -0.15855831 0.89160032 0.74692807 1\n C C5 1 0.10604952 -0.01952339 0.45452869 1\n C C6 1 0.13666840 0.65850219 0.10575359 1\n C C7 1 0.12145557 0.80591987 0.23518193 1\n C C8 1 0.61802368 1.01182704 0.55649468 1\n C C9 1 -0.13657330 0.35896619 0.26376824 1\n C C10 1 0.20286299 0.28274918 0.69353546 1\n C C11 1 0.75705219 0.23672325 0.80126835 1\n C C12 1 0.44496468 0.75848156 0.80868887 1\n C C13 1 0.27938128 0.33565258 0.02445806 1\n C C14 1 0.96992084 0.14319937 0.27753529 1\n C C15 1 0.21253948 0.78582743 0.42714227 1\n C C16 1 0.52516687 0.93003424 0.15735984 1\n C C17 1 0.71525155 0.37397255 0.90818102 1\n C C18 1 0.27924853 0.44277934 0.16136178 1\n C C19 1 0.44003697 0.94279937 0.97716475 1\n C C20 1 0.86004852 0.01844137 0.87587978 1\n C C21 1 0.43964656 0.12773505 0.17722583 1\n C C22 1 0.31827214 0.20512624 0.55546718 1\n C C23 1 0.40716655 0.59501070 0.57168800 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55625000\n_cell_length_b 5.66192000\n_cell_length_c 4.60935000\n_cell_angle_alpha 119.43865000\n_cell_angle_beta 106.32447000\n_cell_angle_gamma 103.25712000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.07806225\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03452644 0.74448058 0.13901806 1\n C C1 1 0.39825198 1.10674312 0.50529588 1\n C C2 1 0.33778728 0.78927253 0.70277263 1\n C C3 1 -0.00645932 0.28063439 0.52240912 1\n C C4 1 1.05521063 0.59853385 0.32573927 1\n C C5 1 0.54640344 0.08025297 0.82755326 1\n C C6 1 0.84582085 0.30749682 0.20057027 1\n C C7 1 0.35761620 0.64280956 0.88896410 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47298000\n_cell_length_b 3.28765000\n_cell_length_c 6.57188000\n_cell_angle_alpha 81.85131000\n_cell_angle_beta 112.14347000\n_cell_angle_gamma 112.13444000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.84304299\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35113774 0.92267832 0.93324600 1\n C C1 1 0.98959182 0.56183112 0.75309529 1\n C C2 1 -0.01011695 0.20139579 0.93311598 1\n C C3 1 -0.01008729 0.20127309 0.43312172 1\n C C4 1 -0.01039209 0.56170798 0.25311103 1\n C C5 1 0.35110147 0.56197030 1.11378320 1\n C C6 1 0.35116082 0.92256954 0.43323580 1\n C C7 1 0.35106408 0.56196216 0.61377208 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45632000\n_cell_length_b 3.66401000\n_cell_length_c 6.45358000\n_cell_angle_alpha 105.47351000\n_cell_angle_beta 101.00555000\n_cell_angle_gamma 70.45005000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.41848870\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83848803 0.46973200 0.52785213 1\n C C1 1 0.82530167 0.25042539 0.28303126 1\n C C2 1 0.20056320 0.41413916 0.19597008 1\n C C3 1 0.61344977 0.87145636 0.47866771 1\n C C4 1 1.10582039 0.36724300 0.95872980 1\n C C5 1 0.46351740 0.30594754 0.61504271 1\n C C6 1 0.05085221 0.84866886 0.33219391 1\n C C7 1 0.55909964 0.35252219 0.85238711 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47359000\n_cell_length_b 4.80347000\n_cell_length_c 6.43390000\n_cell_angle_alpha 69.45822000\n_cell_angle_beta 67.39421000\n_cell_angle_gamma 75.09142000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.42008360\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60685527 0.72590147 -0.00914105 1\n C C1 1 -0.28179590 0.94765170 0.26898282 1\n C C2 1 0.80020459 0.86379919 0.72726870 1\n C C3 1 0.27278867 0.05909314 0.65791585 1\n C C4 1 0.94027105 0.39248612 0.32453340 1\n C C5 1 1.05035587 0.61426654 0.60276825 1\n C C6 1 0.38408166 0.28103424 0.93569576 1\n C C7 1 0.35835714 -0.02476315 0.11558229 1\n C C8 1 1.02394536 0.30843221 0.78264943 1\n C C9 1 -0.30925294 0.64181039 0.44941482 1\n C C10 1 0.46808217 0.19715046 0.39366670 1\n C C11 1 1.13433947 0.53057409 0.06023614 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31837000\n_cell_length_b 3.51539000\n_cell_length_c 3.51863000\n_cell_angle_alpha 59.99091000\n_cell_angle_beta 89.99821000\n_cell_angle_gamma 90.00071000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54371080\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40787007 0.56581127 0.68957621 1\n C C1 1 0.24058210 0.02938248 0.45757375 1\n C C2 1 0.74064904 0.56623699 0.99336709 1\n C C3 1 0.90783592 1.02997865 0.76132184 1\n C C4 1 0.07536292 0.26105341 -0.00634774 1\n C C5 1 0.57528944 0.33436108 0.45751115 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42999000\n_cell_length_b 2.42997000\n_cell_length_c 8.73604000\n_cell_angle_alpha 83.26414000\n_cell_angle_beta 74.39164000\n_cell_angle_gamma 59.97250000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.00491589\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34126102 0.94916302 0.24068972 1\n C C1 1 0.30423092 0.55936808 0.90938016 1\n C C2 1 0.61295319 0.60928885 0.57427862 1\n C C3 1 0.94720742 -0.05715325 0.57356939 1\n C C4 1 0.97034773 0.22616280 -0.08985062 1\n C C5 1 0.67543891 0.28232591 0.23993073 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58328000\n_cell_length_b 5.49166000\n_cell_length_c 3.64632000\n_cell_angle_alpha 109.50265000\n_cell_angle_beta 89.52578000\n_cell_angle_gamma 118.45098000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.15618353\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03538510 0.48484983 0.39669176 1\n C C1 1 0.34419361 0.79561789 0.55321652 1\n C C2 1 -0.15465759 0.29388998 0.60869105 1\n C C3 1 0.53457684 0.98602651 -0.04377648 1\n C C4 1 0.53492165 -0.01374641 0.34091906 1\n C C5 1 0.84550628 0.29437178 0.99349509 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53312000\n_cell_length_b 3.76688000\n_cell_length_c 5.05310000\n_cell_angle_alpha 89.93804000\n_cell_angle_beta 89.92684000\n_cell_angle_gamma 89.78471000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.21606572\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22141176 0.13183575 0.25315037 1\n C C1 1 0.71872099 0.62705875 0.41250748 1\n C C2 1 0.72090536 0.42916771 0.87333498 1\n C C3 1 0.71855905 0.75227508 0.68932417 1\n C C4 1 0.72012106 0.23834831 0.41281187 1\n C C5 1 0.21999791 0.73360108 0.25255775 1\n C C6 1 0.72024481 1.10846330 0.68904640 1\n C C7 1 0.22112495 0.42992233 0.04381377 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47921000\n_cell_length_b 4.95457000\n_cell_length_c 6.31404000\n_cell_angle_alpha 78.68072000\n_cell_angle_beta 89.98559000\n_cell_angle_gamma 59.96377000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.39649279\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05931147 0.28365477 0.33172661 1\n C C1 1 0.75429532 0.58934223 0.41546993 1\n C C2 1 0.20017296 0.64422148 0.75030250 1\n C C3 1 0.97653865 0.36561752 0.08427544 1\n C C4 1 0.83898245 0.50579431 0.66645802 1\n C C5 1 0.05932023 0.78363173 0.33172133 1\n C C6 1 0.75429824 1.08936125 0.41546954 1\n C C7 1 0.83900987 0.00581201 0.66647136 1\n C C8 1 0.28258544 0.55996948 1.00111609 1\n C C9 1 -0.02342347 0.86559531 0.08426890 1\n C C10 1 0.20023184 0.14421328 0.75034760 1\n C C11 1 0.28262070 0.05996543 1.00115698 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28292000\n_cell_length_b 3.30967000\n_cell_length_c 4.82553000\n_cell_angle_alpha 102.44676000\n_cell_angle_beta 102.43304000\n_cell_angle_gamma 79.86147000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.53413692\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12240623 0.06880529 0.86206249 1\n C C1 1 0.59013823 0.84270950 0.40309934 1\n C C2 1 0.16910925 0.38934952 0.68844762 1\n C C3 1 0.80617360 0.75216557 0.68848363 1\n C C4 1 0.26315675 0.16900060 0.40319271 1\n C C5 1 0.48510437 0.70578016 0.86237618 1\n C C6 1 0.70560132 0.61147197 0.14753929 1\n C C7 1 0.03200035 0.28457998 0.14745594 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48450000\n_cell_length_b 3.82380000\n_cell_length_c 5.78147000\n_cell_angle_alpha 89.96988000\n_cell_angle_beta 115.44482000\n_cell_angle_gamma 108.96103000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.28017458\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51027429 0.17103862 0.07653550 1\n C C1 1 1.25087894 0.76780937 0.01839198 1\n C C2 1 0.22169922 0.26515337 0.24159333 1\n C C3 1 0.20956315 0.91547475 0.40409848 1\n C C4 1 0.53891957 0.67323032 0.85320278 1\n C C5 1 0.49137948 0.69251624 0.29786419 1\n C C6 1 0.26868318 0.24498915 0.79651320 1\n C C7 1 0.55062556 0.02251958 0.69038135 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48457000\n_cell_length_b 4.08751000\n_cell_length_c 4.67675000\n_cell_angle_alpha 96.70348000\n_cell_angle_beta 74.54540000\n_cell_angle_gamma 90.00197000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44142029\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72435263 0.12962177 0.66799675 1\n C C1 1 0.26888928 0.29977415 0.58166483 1\n C C2 1 -0.05810691 0.59278919 0.23771179 1\n C C3 1 0.21087595 0.65573312 0.69657459 1\n C C4 1 0.44082999 0.36798471 0.24004930 1\n C C5 1 1.05155141 0.83519858 0.01153077 1\n C C6 1 0.55236094 0.06181304 0.00967590 1\n C C7 1 0.78343571 0.77409853 0.55265087 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48334000\n_cell_length_b 3.73903000\n_cell_length_c 5.91262000\n_cell_angle_alpha 129.20454000\n_cell_angle_beta 114.85757000\n_cell_angle_gamma 89.98442000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.74429620\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11937922 0.35633838 0.50137009 1\n C C1 1 0.70952041 0.94650902 0.09190200 1\n C C2 1 0.61973787 0.11981719 0.50167082 1\n C C3 1 0.91474662 0.14785984 0.79710445 1\n C C4 1 0.41440841 0.91823358 0.79682752 1\n C C5 1 0.20995116 0.70997169 1.09223742 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46759000\n_cell_length_b 5.45081000\n_cell_length_c 6.48662000\n_cell_angle_alpha 112.47950000\n_cell_angle_beta 79.03294000\n_cell_angle_gamma 103.09172000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.00031250\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.09686069 0.44115400 0.43649886 1\n C C1 1 0.16383249 0.36973843 0.97931456 1\n C C2 1 0.25444177 0.16163373 0.23081628 1\n C C3 1 0.67072376 0.87633644 0.63946893 1\n C C4 1 0.73238666 0.74847918 0.26839859 1\n C C5 1 0.93060622 0.42424176 0.66822274 1\n C C6 1 0.27139928 -0.06834254 0.32912387 1\n C C7 1 0.32215666 0.29274917 0.71971251 1\n C C8 1 -0.02677128 0.69024919 0.86769077 1\n C C9 1 0.24608826 0.00786842 0.58831620 1\n C C10 1 0.81877960 0.13914583 0.07719908 1\n C C11 1 0.74902533 0.55295511 0.03989445 1\n C C12 1 0.64823410 0.61010888 0.43976177 1\n C C13 1 0.58698227 0.85933160 0.87076771 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45042000\n_cell_length_b 4.38706000\n_cell_length_c 5.68341000\n_cell_angle_alpha 97.55623000\n_cell_angle_beta 90.03228000\n_cell_angle_gamma 106.25579000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.10067533\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61868388 0.73095356 0.43434165 1\n C C1 1 0.43206789 0.35719566 0.39329073 1\n C C2 1 0.86962014 0.23420372 0.24750284 1\n C C3 1 -0.07280320 0.34437869 0.76640515 1\n C C4 1 0.18123937 0.85419511 0.58063740 1\n C C5 1 0.36218783 0.21527281 0.62760814 1\n C C6 1 1.12365792 0.74412215 0.06109126 1\n C C7 1 1.10443523 0.70032550 0.79534210 1\n C C8 1 0.68909269 0.87325828 0.19999170 1\n C C9 1 0.94703516 0.38814371 0.03230093 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48134000\n_cell_length_b 4.84497000\n_cell_length_c 3.69047000\n_cell_angle_alpha 122.65602000\n_cell_angle_beta 109.72739000\n_cell_angle_gamma 75.01177000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99717616\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35064566 0.74120773 0.86536999 1\n C C1 1 0.77233544 0.61034718 0.57786264 1\n C C2 1 0.22489739 0.11424436 -0.00545019 1\n C C3 1 0.80338817 0.24526361 0.28231742 1\n C C4 1 0.54789970 0.81701081 0.33881741 1\n C C5 1 0.02797524 1.03883899 0.52167292 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45820000\n_cell_length_b 3.39475000\n_cell_length_c 5.93810000\n_cell_angle_alpha 117.03899000\n_cell_angle_beta 78.22851000\n_cell_angle_gamma 110.98269000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.15954258\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36877314 0.45619499 0.78993196 1\n C C1 1 0.76940818 0.38343696 0.91763112 1\n C C2 1 0.60032513 0.85132194 0.72424380 1\n C C3 1 0.73205518 0.59571027 0.19356309 1\n C C4 1 0.19819284 -0.07746400 0.59629347 1\n C C5 1 0.22258542 0.70409743 0.32032705 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47838000\n_cell_length_b 2.47783000\n_cell_length_c 6.31131000\n_cell_angle_alpha 101.28275000\n_cell_angle_beta 89.99623000\n_cell_angle_gamma 59.98708000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.69265499\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03488516 0.44967282 0.04263702 1\n C C1 1 0.10881655 0.16902352 0.62404246 1\n C C2 1 0.65983482 0.05993702 -0.04112861 1\n C C3 1 0.19144121 0.00255366 0.37311941 1\n C C4 1 0.88463586 0.61437669 0.29010458 1\n C C5 1 0.74688441 0.89105969 0.70779985 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48756000\n_cell_length_b 4.30418000\n_cell_length_c 6.57757000\n_cell_angle_alpha 70.88147000\n_cell_angle_beta 100.89201000\n_cell_angle_gamma 89.99139000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.19600747\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15675217 0.90200481 0.80002688 1\n C C1 1 0.28259170 0.77702404 0.05035589 1\n C C2 1 0.49038749 0.90190970 0.46698891 1\n C C3 1 0.65655137 0.40199113 0.79990554 1\n C C4 1 0.82374139 0.90186044 0.13396934 1\n C C5 1 0.61585912 0.77687224 0.71685299 1\n C C6 1 0.44945347 0.27667685 0.38393842 1\n C C7 1 0.99016724 0.40193777 0.46681503 1\n C C8 1 0.32355475 0.40185672 0.13382932 1\n C C9 1 0.94962968 0.77666951 0.38408964 1\n C C10 1 0.78241845 0.27700599 0.05023997 1\n C C11 1 1.11565719 0.27688959 0.71669247 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.80297000\n_cell_length_b 2.46219000\n_cell_length_c 7.44689000\n_cell_angle_alpha 99.52012000\n_cell_angle_beta 93.34778000\n_cell_angle_gamma 108.86927000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.60447371\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63492397 0.62986950 0.70257516 1\n C C1 1 0.70276099 0.76642996 0.90375353 1\n C C2 1 0.60887011 0.07080824 0.61093926 1\n C C3 1 -0.09342989 1.06110226 0.29424861 1\n C C4 1 0.42248881 0.23990509 0.13487899 1\n C C5 1 0.91583623 0.41057959 0.98081106 1\n C C6 1 0.32942460 0.29314456 0.33225827 1\n C C7 1 -0.17730562 0.46159764 0.17782519 1\n C C8 1 0.54229356 -0.06150424 0.40923484 1\n C C9 1 0.33843204 0.63951431 0.01800699 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49059000\n_cell_length_b 4.65635000\n_cell_length_c 5.94866000\n_cell_angle_alpha 76.99251000\n_cell_angle_beta 77.84746000\n_cell_angle_gamma 57.71006000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.47976287\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23065163 0.63502189 0.57070205 1\n C C1 1 0.22011222 0.42578497 0.01087912 1\n C C2 1 -0.04023161 0.19142396 1.00065516 1\n C C3 1 0.92052017 0.49121984 0.47925733 1\n C C4 1 0.28618598 0.96648996 0.79880467 1\n C C5 1 0.89486723 0.65042106 0.21240243 1\n C C6 1 0.26300684 0.12456035 0.53161535 1\n C C7 1 0.01893263 0.72728532 0.81113456 1\n C C8 1 0.16244485 0.88939601 0.20032377 1\n C C9 1 0.95196016 -0.01927936 0.44096265 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42594000\n_cell_length_b 4.14539000\n_cell_length_c 6.33865000\n_cell_angle_alpha 110.69460000\n_cell_angle_beta 79.03637000\n_cell_angle_gamma 89.92248000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.37971705\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47375090 0.17680153 0.94472140 1\n C C1 1 0.14832024 0.79383409 0.59963397 1\n C C2 1 0.69112220 0.24781446 0.52347808 1\n C C3 1 0.17586040 0.41943341 0.55503533 1\n C C4 1 0.37471546 0.48751336 0.14049461 1\n C C5 1 0.82570991 0.63177803 0.23961178 1\n C C6 1 0.02437465 0.03339659 0.84460573 1\n C C7 1 0.70655844 0.87485622 0.48307860 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47277000\n_cell_length_b 4.62266000\n_cell_length_c 6.07075000\n_cell_angle_alpha 98.44807000\n_cell_angle_beta 118.34404000\n_cell_angle_gamma 100.39598000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.86260159\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82035656 0.61041647 0.61667810 1\n C C1 1 0.83573526 0.33598861 0.72559760 1\n C C2 1 0.39688786 1.02483507 0.52626264 1\n C C3 1 0.47762438 0.58235030 0.31870494 1\n C C4 1 0.66195672 0.93668363 0.35895335 1\n C C5 1 0.53810780 0.31995813 0.88964720 1\n C C6 1 0.47283428 0.80393629 0.70072024 1\n C C7 1 0.73620800 0.02043818 -0.03769461 1\n C C8 1 0.46739072 0.07227278 0.13531216 1\n C C9 1 0.77159012 0.42585863 0.18732618 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46896000\n_cell_length_b 3.23318000\n_cell_length_c 5.16182000\n_cell_angle_alpha 86.37814000\n_cell_angle_beta 89.97541000\n_cell_angle_gamma 67.65475000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.02209345\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.13237654 0.82094646 0.79286673 1\n C C1 1 0.17392309 0.20867050 0.41909268 1\n C C2 1 0.19907009 0.15794257 0.16527388 1\n C C3 1 0.70007053 0.15592576 1.01218587 1\n C C4 1 0.67321377 0.20976077 0.57223762 1\n C C5 1 0.50543487 0.54409924 0.78958732 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42913000\n_cell_length_b 4.16724000\n_cell_length_c 6.14134000\n_cell_angle_alpha 69.63593000\n_cell_angle_beta 78.59739000\n_cell_angle_gamma 89.97751000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.97307740\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31304821 0.66728775 0.45685729 1\n C C1 1 0.95297993 0.47609514 0.17723451 1\n C C2 1 0.10825374 0.16879191 0.87953088 1\n C C3 1 0.76630858 0.72106894 0.55298033 1\n C C4 1 0.40456878 0.52976559 0.27348607 1\n C C5 1 0.64008364 0.70183553 0.80584191 1\n C C6 1 0.62171308 0.02808642 0.85055096 1\n C C7 1 0.08125454 0.49466862 0.92462863 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51241000\n_cell_length_b 4.62630000\n_cell_length_c 5.71384000\n_cell_angle_alpha 62.92044000\n_cell_angle_beta 85.86181000\n_cell_angle_gamma 81.53713000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.48752121\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37194639 0.78780903 -0.01612626 1\n C C1 1 0.45168229 0.76314858 0.51229250 1\n C C2 1 -0.01364157 0.37242146 0.92336901 1\n C C3 1 -0.10454740 0.65732149 0.15596223 1\n C C4 1 0.44576052 0.59480968 0.81747239 1\n C C5 1 1.21128133 0.27711233 0.56615895 1\n C C6 1 1.19257784 0.13427734 0.82357306 1\n C C7 1 0.41060000 0.14068741 0.37831036 1\n C C8 1 -0.01487679 0.63283608 0.42842009 1\n C C9 1 0.92338569 0.29476711 0.21034078 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27665000\n_cell_length_b 4.24163000\n_cell_length_c 3.63104000\n_cell_angle_alpha 89.91944000\n_cell_angle_beta 75.45686000\n_cell_angle_gamma 49.48725000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22975910\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63935127 0.08728776 0.87433550 1\n C C1 1 0.21418660 0.29949814 0.63778893 1\n C C2 1 0.63943133 0.72589881 0.87471107 1\n C C3 1 0.42742518 0.67094099 0.25644825 1\n C C4 1 0.21440260 0.93826729 0.63822309 1\n C C5 1 0.42619073 0.35484651 0.25599306 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56450000\n_cell_length_b 2.47932000\n_cell_length_c 5.72790000\n_cell_angle_alpha 77.54220000\n_cell_angle_beta 89.26885000\n_cell_angle_gamma 89.95429000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.55877452\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45189911 -0.02527426 0.87945035 1\n C C1 1 0.95822413 0.62856012 0.57443494 1\n C C2 1 0.95823910 1.05595513 0.71871404 1\n C C3 1 0.94354330 0.31750120 0.19431439 1\n C C4 1 0.44794096 0.39735410 0.03386229 1\n C C5 1 0.94495001 0.74531940 0.33931100 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27142000\n_cell_length_b 3.27220000\n_cell_length_c 3.63342000\n_cell_angle_alpha 75.45369000\n_cell_angle_beta 75.44305000\n_cell_angle_gamma 80.81692000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.24581251\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93731871 0.17915081 0.94278102 1\n C C1 1 0.57693737 0.54075991 0.94313584 1\n C C2 1 0.36303598 0.32974487 0.70585489 1\n C C3 1 0.30850606 0.59597574 0.32423257 1\n C C4 1 0.72429077 0.96794977 0.70568339 1\n C C5 1 -0.00904970 -0.08767030 0.32421159 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42919000\n_cell_length_b 3.98094000\n_cell_length_c 5.70115000\n_cell_angle_alpha 52.97735000\n_cell_angle_beta 100.13655000\n_cell_angle_gamma 88.52614000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.71814668\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55158696 0.68359543 -0.00047602 1\n C C1 1 0.33062896 0.57336645 0.55734296 1\n C C2 1 -0.00308593 0.90687396 0.89069965 1\n C C3 1 0.66328225 0.23956114 0.22317395 1\n C C4 1 0.21858984 1.01734964 0.33351367 1\n C C5 1 0.88569572 0.35078347 0.66710759 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46416000\n_cell_length_b 3.32599000\n_cell_length_c 6.03414000\n_cell_angle_alpha 120.54044000\n_cell_angle_beta 100.37929000\n_cell_angle_gamma 69.80472000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.97437182\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63965930 0.69412049 0.96893561 1\n C C1 1 0.16746412 0.51516354 0.84632212 1\n C C2 1 0.79375627 0.86335131 0.44805850 1\n C C3 1 0.20971341 0.15955404 0.57298343 1\n C C4 1 0.01924407 0.34222222 0.36720831 1\n C C5 1 0.60282854 1.04650121 0.24252103 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46167000\n_cell_length_b 3.39595000\n_cell_length_c 6.06289000\n_cell_angle_alpha 109.96305000\n_cell_angle_beta 101.69910000\n_cell_angle_gamma 111.29554000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.18011411\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09190727 0.20421831 0.40864442 1\n C C1 1 0.46424967 0.75229517 0.60418185 1\n C C2 1 0.31751076 1.05893366 1.00644881 1\n C C3 1 0.93440924 0.81781726 0.47800377 1\n C C4 1 0.56035745 0.26870556 0.28188447 1\n C C5 1 0.70617072 -0.03837546 -0.12020591 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45863000\n_cell_length_b 4.54564000\n_cell_length_c 7.79590000\n_cell_angle_alpha 100.35980000\n_cell_angle_beta 118.23305000\n_cell_angle_gamma 105.64718000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.89359374\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88123134 0.22286394 0.24867500 1\n C C1 1 0.41409016 0.91400350 0.03935632 1\n C C2 1 -0.00967814 0.55891499 0.20895373 1\n C C3 1 0.16000638 -0.09966156 0.54091836 1\n C C4 1 0.43342080 0.85813583 0.40409214 1\n C C5 1 0.54269100 0.25569717 0.67824621 1\n C C6 1 0.74259878 -0.05167249 0.91359112 1\n C C7 1 0.00070308 0.39015656 0.60586027 1\n C C8 1 -0.12358299 0.27858089 0.89349694 1\n C C9 1 0.30982139 0.58113097 0.08125116 1\n C C10 1 0.54524814 0.19162151 0.36853916 1\n C C11 1 0.29716327 0.73558328 0.68777349 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46452000\n_cell_length_b 3.38025000\n_cell_length_c 6.32351000\n_cell_angle_alpha 114.29511000\n_cell_angle_beta 101.44469000\n_cell_angle_gamma 111.14500000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.88411907\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88661925 0.20449420 0.91832002 1\n C C1 1 1.20015330 0.55262321 0.19333416 1\n C C2 1 0.93002459 0.68885008 0.51808718 1\n C C3 1 0.23998221 0.03594423 -0.20705443 1\n C C4 1 0.21420677 0.38225358 0.39255099 1\n C C5 1 0.91577238 0.85940840 0.31866249 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43054000\n_cell_length_b 3.41586000\n_cell_length_c 5.90350000\n_cell_angle_alpha 97.59648000\n_cell_angle_beta 87.61280000\n_cell_angle_gamma 115.28277000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.92326270\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44200694 0.58552988 0.22720759 1\n C C1 1 -0.00294395 0.69689054 0.33926317 1\n C C2 1 0.77521233 0.25218707 0.89387671 1\n C C3 1 0.33044899 0.36355132 1.00592807 1\n C C4 1 0.66385066 1.03023335 0.67259405 1\n C C5 1 1.10861400 0.91886910 0.56054269 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46734000\n_cell_length_b 3.36272000\n_cell_length_c 5.75110000\n_cell_angle_alpha 96.73934000\n_cell_angle_beta 115.19773000\n_cell_angle_gamma 68.84273000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.22852671\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65777792 0.17384099 0.58232768 1\n C C1 1 0.19687809 0.34620413 0.70712589 1\n C C2 1 0.82902662 0.03822983 0.18563463 1\n C C3 1 0.42433420 0.09346192 0.30856509 1\n C C4 1 0.59482329 -0.04062521 0.91174279 1\n C C5 1 0.05572737 0.78700193 0.78672132 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48292000\n_cell_length_b 3.74814000\n_cell_length_c 3.84067000\n_cell_angle_alpha 90.03903000\n_cell_angle_beta 89.98924000\n_cell_angle_gamma 89.99559000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.74254021\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60219888 0.81140957 0.25122901 1\n C C1 1 0.10218366 0.04001011 0.25086636 1\n C C2 1 0.60217999 0.54342962 -0.04323965 1\n C C3 1 0.60210377 0.54385280 0.54570881 1\n C C4 1 0.10227877 0.30756688 0.95638657 1\n C C5 1 1.10220254 0.30799006 0.54533502 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44197000\n_cell_length_b 7.13598000\n_cell_length_c 5.24597000\n_cell_angle_alpha 89.46769000\n_cell_angle_beta 89.93582000\n_cell_angle_gamma 109.93125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.93530539\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55505297 0.28281338 0.03484458 1\n C C1 1 0.85723063 0.08280603 0.38906257 1\n C C2 1 0.92784787 0.15345984 0.65738885 1\n C C3 1 0.62530253 0.85292077 0.95245363 1\n C C4 1 0.33739024 0.56151285 0.83452887 1\n C C5 1 0.15526063 0.88234108 1.07678682 1\n C C6 1 0.03984498 0.76573661 0.53105893 1\n C C7 1 0.23909450 0.46893661 0.34693589 1\n C C8 1 0.52976101 0.75514596 0.69888771 1\n C C9 1 0.22624130 0.95261187 0.34537462 1\n C C10 1 0.45691326 0.18234840 0.78201266 1\n C C11 1 1.04184730 0.26975211 0.20381729 1\n C C12 1 0.75170288 0.47897340 0.90460460 1\n C C13 1 0.83781250 0.56547360 0.39081670 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64714000\n_cell_length_b 2.44644000\n_cell_length_c 8.95492000\n_cell_angle_alpha 114.18580000\n_cell_angle_beta 103.56808000\n_cell_angle_gamma 70.37593000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.21439152\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80998416 0.68230110 0.12456845 1\n C C1 1 0.96169631 0.51723590 0.73157176 1\n C C2 1 0.67708324 0.48112276 0.94687425 1\n C C3 1 0.08558316 1.41138907 0.37044764 1\n C C4 1 0.17411294 -0.01452492 0.44935906 1\n C C5 1 0.52943657 0.67488266 0.69246958 1\n C C6 1 0.02722643 0.14912303 0.84176601 1\n C C7 1 0.45947309 -0.00900389 0.88082314 1\n C C8 1 0.31122104 0.18526824 0.62664695 1\n C C9 1 0.89676596 0.25769815 0.20374735 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.99430000\n_cell_length_b 2.42866000\n_cell_length_c 8.12864000\n_cell_angle_alpha 112.20051000\n_cell_angle_beta 117.13955000\n_cell_angle_gamma 100.75398000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.83947312\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06419944 0.58220126 0.43740780 1\n C C1 1 0.84180660 1.24938776 0.21542154 1\n C C2 1 0.73061084 0.58192591 0.10416732 1\n C C3 1 0.39885035 0.58260331 0.77075120 1\n C C4 1 0.50997043 0.24994712 0.88222256 1\n C C5 1 0.17548322 0.24967134 0.54873928 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37677000\n_cell_length_b 2.46771000\n_cell_length_c 5.23217000\n_cell_angle_alpha 89.97909000\n_cell_angle_beta 90.50247000\n_cell_angle_gamma 111.38481000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.59565560\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30566037 0.91298092 -0.08285756 1\n C C1 1 0.18455039 0.35593104 0.31633976 1\n C C2 1 0.00819831 -0.23187305 0.44156522 1\n C C3 1 0.25713916 0.38896134 1.04167772 1\n C C4 1 0.56289630 0.54376042 0.51823653 1\n C C5 1 0.38517117 0.95476654 0.64320234 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42376000\n_cell_length_b 4.19802000\n_cell_length_c 4.85776000\n_cell_angle_alpha 90.81879000\n_cell_angle_beta 119.85029000\n_cell_angle_gamma 89.90957000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.86480027\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73332151 0.75313563 0.94065610 1\n C C1 1 0.26488481 0.59783339 -0.02830875 1\n C C2 1 0.67500275 0.10087267 0.88101235 1\n C C3 1 0.32746112 0.16206673 0.53366094 1\n C C4 1 0.67171406 0.18862457 0.37817953 1\n C C5 1 0.32439316 0.25011130 0.03115542 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.69530000\n_cell_length_b 4.30129000\n_cell_length_c 4.78554000\n_cell_angle_alpha 116.36042000\n_cell_angle_beta 104.79708000\n_cell_angle_gamma 54.04323000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.16711862\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07454307 0.33869592 0.40690790 1\n C C1 1 0.93234098 0.35248340 1.09344018 1\n C C2 1 0.82489811 0.80575751 0.62066178 1\n C C3 1 0.82566814 0.27692207 0.56468719 1\n C C4 1 0.71795096 0.73034839 0.09259195 1\n C C5 1 0.07173491 1.02412338 0.77883396 1\n C C6 1 0.57650674 0.74354887 0.77832438 1\n C C7 1 0.57906139 0.05841936 0.40631116 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49085000\n_cell_length_b 3.59293000\n_cell_length_c 4.35142000\n_cell_angle_alpha 84.30533000\n_cell_angle_beta 106.61977000\n_cell_angle_gamma 110.29268000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99985810\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52133144 0.40939550 0.12059353 1\n C C1 1 0.43904249 0.03833968 0.32623541 1\n C C2 1 0.33232779 0.40899741 0.74426176 1\n C C3 1 0.14984514 0.66842546 0.12023512 1\n C C4 1 -0.03808713 0.66813013 0.74426186 1\n C C5 1 1.04439128 1.03802742 0.53854601 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43247000\n_cell_length_b 3.88638000\n_cell_length_c 4.79270000\n_cell_angle_alpha 94.93404000\n_cell_angle_beta 73.60544000\n_cell_angle_gamma 88.30302000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.23566820\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21305684 0.43918125 0.25717945 1\n C C1 1 -0.12122550 0.77468918 0.92528754 1\n C C2 1 0.99184200 0.99379649 0.70075145 1\n C C3 1 0.54581415 1.10740180 0.59137938 1\n C C4 1 0.65888164 0.32650911 0.36684330 1\n C C5 1 0.32459931 0.66201704 0.03495138 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.45920000\n_cell_length_b 4.27025000\n_cell_length_c 4.20658000\n_cell_angle_alpha 60.66386000\n_cell_angle_beta 50.43425000\n_cell_angle_gamma 74.88681000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.67353076\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01536487 0.60462543 0.81931305 1\n C C1 1 0.43169301 0.68308985 0.60264470 1\n C C2 1 0.87767646 0.92708021 0.56735033 1\n C C3 1 0.06265237 -0.07027266 0.11136804 1\n C C4 1 0.91763939 0.26544436 0.55663256 1\n C C5 1 0.46131960 0.84842124 0.78403641 1\n C C6 1 0.83045110 0.60205077 0.27515752 1\n C C7 1 0.97556610 0.26641200 0.82980489 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47926000\n_cell_length_b 3.68895000\n_cell_length_c 4.89344000\n_cell_angle_alpha 87.23293000\n_cell_angle_beta 120.46652000\n_cell_angle_gamma 70.38946000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99782992\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54956598 0.36937239 0.75781396 1\n C C1 1 0.16715526 0.73016643 0.05536523 1\n C C2 1 1.04248772 0.12840798 0.13017863 1\n C C3 1 0.59562702 0.28512787 0.26163391 1\n C C4 1 0.99632505 0.21239360 0.62666860 1\n C C5 1 0.42578606 0.76737293 0.83279546 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30235000\n_cell_length_b 4.32522000\n_cell_length_c 6.17710000\n_cell_angle_alpha 86.10856000\n_cell_angle_beta 95.48332000\n_cell_angle_gamma 120.33857000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 75.77917076\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40976378 0.65958247 0.15065474 1\n C C1 1 0.41255671 0.86259577 0.54222526 1\n C C2 1 0.47133389 0.32775743 0.14572678 1\n C C3 1 0.40066100 0.16120947 0.93775219 1\n C C4 1 0.71142814 0.83489636 0.36491092 1\n C C5 1 0.11834545 0.18391614 0.33094363 1\n C C6 1 -0.04811246 0.44371208 0.25580451 1\n C C7 1 0.90196134 0.59866106 0.44752038 1\n C C8 1 0.44143535 0.85526261 -0.05585015 1\n C C9 1 0.41112319 0.36165461 0.75003538 1\n C C10 1 0.44641823 0.69708619 0.75575564 1\n C C11 1 0.46873718 0.25070701 0.53919063 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43751000\n_cell_length_b 5.65525000\n_cell_length_c 7.45909000\n_cell_angle_alpha 80.57557000\n_cell_angle_beta 99.42295000\n_cell_angle_gamma 90.03449000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 100.02872232\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56664258 0.92929734 0.54221966 1\n C C1 1 0.11084270 0.79394600 0.62827076 1\n C C2 1 0.09279063 0.54117591 0.58864989 1\n C C3 1 0.90908037 0.42772434 0.22677694 1\n C C4 1 0.55297025 0.43431019 0.51075475 1\n C C5 1 0.81265695 0.06358736 1.03694310 1\n C C6 1 0.18543920 0.40587079 0.76980550 1\n C C7 1 1.26425259 0.49988944 0.93475028 1\n C C8 1 0.81481555 0.38682770 1.03922488 1\n C C9 1 0.45371465 0.43640968 0.31458925 1\n C C10 1 0.61217543 0.16010864 0.62458595 1\n C C11 1 0.26049273 0.99759368 0.92908990 1\n C C12 1 0.21836732 0.76485175 0.84911831 1\n C C13 1 0.17356130 0.16455035 0.74685863 1\n C C14 1 0.91286297 0.97040686 0.23838518 1\n C C15 1 0.46064978 -0.04753093 0.33418643 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45776000\n_cell_length_b 3.19428000\n_cell_length_c 9.57269000\n_cell_angle_alpha 97.38973000\n_cell_angle_beta 82.63962000\n_cell_angle_gamma 67.38972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.49416749\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79200178 0.29757703 0.26586450 1\n C C1 1 0.36786409 0.22979111 0.18221053 1\n C C2 1 0.28329949 0.52170542 0.05575231 1\n C C3 1 0.55969489 1.09008333 0.93204547 1\n C C4 1 0.29225716 0.85454916 0.70499814 1\n C C5 1 -0.12265067 0.75951383 0.62951507 1\n C C6 1 1.04418769 0.56969114 0.48579504 1\n C C7 1 0.13463146 0.02391986 0.84860238 1\n C C8 1 0.63158084 0.47166671 0.40958444 1\n C C9 1 0.64397527 0.79736532 1.05831391 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.99856000\n_cell_length_b 4.24683000\n_cell_length_c 4.19934000\n_cell_angle_alpha 119.32644000\n_cell_angle_beta 90.38817000\n_cell_angle_gamma 111.43200000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.24686946\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63552326 0.76829577 0.65174859 1\n C C1 1 -0.03112397 0.10172530 0.31850233 1\n C C2 1 0.30206158 0.43510325 0.65268426 1\n C C3 1 -0.03094354 0.10123077 0.98565242 1\n C C4 1 0.30256652 0.43446989 0.98465068 1\n C C5 1 0.63531055 0.76844231 0.31946773 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46929000\n_cell_length_b 3.23661000\n_cell_length_c 5.17669000\n_cell_angle_alpha 87.29405000\n_cell_angle_beta 89.99759000\n_cell_angle_gamma 67.59620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.20011856\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24360881 0.20962534 0.85459180 1\n C C1 1 0.43672138 0.82675250 0.07450475 1\n C C2 1 0.07425370 0.54951836 0.07223897 1\n C C3 1 0.74390133 0.20915859 0.70149807 1\n C C4 1 0.26762515 0.16648402 0.29384794 1\n C C5 1 0.76741953 1.16680470 0.44692207 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48699000\n_cell_length_b 3.51624000\n_cell_length_c 4.97446000\n_cell_angle_alpha 89.98640000\n_cell_angle_beta 90.02103000\n_cell_angle_gamma 90.00401000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.50092076\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54416217 0.59128162 0.93228764 1\n C C1 1 0.54424117 0.59126740 0.43227306 1\n C C2 1 0.04416938 0.84185707 0.93229711 1\n C C3 1 0.54425047 0.34181445 0.18230053 1\n C C4 1 0.54415002 0.34189187 0.68230227 1\n C C5 1 0.04415559 0.09128498 0.68228284 1\n C C6 1 0.04425738 0.09126326 0.18228128 1\n C C7 1 0.04424002 0.84185965 0.43229287 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42500000\n_cell_length_b 4.20501000\n_cell_length_c 4.86541000\n_cell_angle_alpha 89.69686000\n_cell_angle_beta 119.97517000\n_cell_angle_gamma 89.86554000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.97582016\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25942931 -0.09061940 0.83417945 1\n C C1 1 0.26230207 0.99528574 0.33755126 1\n C C2 1 0.91204441 0.84686640 0.48697871 1\n C C3 1 -0.14854327 0.49880500 0.42780854 1\n C C4 1 0.32121660 0.34318250 0.39781310 1\n C C5 1 0.91537147 0.93519656 -0.01016966 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43078000\n_cell_length_b 3.09868000\n_cell_length_c 8.01890000\n_cell_angle_alpha 93.02732000\n_cell_angle_beta 105.06743000\n_cell_angle_gamma 83.43432000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.92421147\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27558158 0.22998860 0.82486991 1\n C C1 1 0.44132331 0.06280810 -0.00893638 1\n C C2 1 0.69151715 0.31366708 0.74127236 1\n C C3 1 1.02539000 0.98273587 0.07532358 1\n C C4 1 0.77520127 0.74566446 0.32737223 1\n C C5 1 0.19105213 0.82565581 0.24299201 1\n C C6 1 0.94131979 0.57421593 0.49289378 1\n C C7 1 0.52548277 0.48961295 0.57647242 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48720000\n_cell_length_b 4.06173000\n_cell_length_c 4.69299000\n_cell_angle_alpha 106.03009000\n_cell_angle_beta 89.99709000\n_cell_angle_gamma 90.00534000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.56669798\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38801331 0.82572484 0.11231173 1\n C C1 1 0.88814628 0.25260137 0.88320077 1\n C C2 1 -0.11203424 0.59309231 0.46558080 1\n C C3 1 1.38804051 0.79425061 0.57964611 1\n C C4 1 0.38830012 0.05959603 0.42072305 1\n C C5 1 0.88827072 0.26070388 0.53492281 1\n C C6 1 0.38797022 0.02745001 0.88801441 1\n C C7 1 -0.11200772 0.60099656 0.11736063 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43067000\n_cell_length_b 4.01816000\n_cell_length_c 6.68828000\n_cell_angle_alpha 107.68342000\n_cell_angle_beta 112.46028000\n_cell_angle_gamma 89.17931000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.13053366\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46988633 0.70215569 0.46613050 1\n C C1 1 0.71984280 0.20219813 0.21608491 1\n C C2 1 0.80186612 0.37034366 0.79819596 1\n C C3 1 1.05198658 0.87018259 0.54836965 1\n C C4 1 0.21976586 0.20231676 0.71595680 1\n C C5 1 0.30203369 0.37012048 0.29842222 1\n C C6 1 -0.03028124 0.70237887 -0.03409577 1\n C C7 1 0.55190964 0.87030123 0.04824154 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47724000\n_cell_length_b 6.99908000\n_cell_length_c 8.52802000\n_cell_angle_alpha 107.12307000\n_cell_angle_beta 92.87543000\n_cell_angle_gamma 92.26928000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 140.90113364\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81671542 0.09900125 0.62117844 1\n C C1 1 0.63644739 0.76315582 0.47693616 1\n C C2 1 0.52856316 0.61998911 0.74708013 1\n C C3 1 0.07188916 0.67838754 0.09006460 1\n C C4 1 0.65068331 -0.02920662 0.43661383 1\n C C5 1 0.05406480 0.04385702 0.19214617 1\n C C6 1 0.48315675 0.40442779 0.67892672 1\n C C7 1 0.05141129 0.36201341 0.05385045 1\n C C8 1 0.54187828 0.48996980 0.85533792 1\n C C9 1 0.05558072 0.49740279 -0.05140144 1\n C C10 1 1.05983885 0.28040332 0.42908716 1\n C C11 1 0.99109086 0.91172041 0.89515096 1\n C C12 1 0.02157022 0.86133787 0.05836163 1\n C C13 1 1.04255786 0.73036101 0.74118431 1\n C C14 1 0.46860155 0.03943027 -0.11990274 1\n C C15 1 0.56795339 0.34372593 0.35144206 1\n C C16 1 1.11722645 0.04156375 0.36596878 1\n C C17 1 0.53484067 0.23395556 0.03365554 1\n C C18 1 0.60411673 0.56167559 0.32418656 1\n C C19 1 0.95974891 0.30634546 0.60647781 1\n C C20 1 0.15694276 0.80036750 0.59058635 1\n C C21 1 0.55439836 0.16861171 0.18445360 1\n C C22 1 1.08561280 0.55643565 0.21552504 1\n C C23 1 0.32735420 0.03278695 0.69265205 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48683000\n_cell_length_b 4.30387000\n_cell_length_c 4.30384000\n_cell_angle_alpha 131.80294000\n_cell_angle_beta 106.79584000\n_cell_angle_gamma 73.20536000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.57231385\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92523340 0.58829699 0.42580448 1\n C C1 1 1.09177552 0.17150896 0.34235059 1\n C C2 1 0.75831661 0.50483918 1.00901939 1\n C C3 1 0.59177449 0.92162722 0.09247328 1\n C C4 1 0.42524266 0.83817251 0.67568132 1\n C C5 1 0.25830735 0.25496366 0.75914255 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.74048000\n_cell_length_b 4.80994000\n_cell_length_c 4.80762000\n_cell_angle_alpha 44.23486000\n_cell_angle_beta 87.67411000\n_cell_angle_gamma 88.02625000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.17055166\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81805418 0.44786209 0.55791514 1\n C C1 1 0.81774857 0.82958613 0.17630409 1\n C C2 1 0.81813142 -0.11216532 0.61717331 1\n C C3 1 0.81816598 0.10159476 0.21225651 1\n C C4 1 0.81814843 0.48327046 0.83062782 1\n C C5 1 0.81791132 0.04310027 0.77147462 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50520000\n_cell_length_b 4.25075000\n_cell_length_c 4.80814000\n_cell_angle_alpha 116.20636000\n_cell_angle_beta 89.93611000\n_cell_angle_gamma 90.10420000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.93863856\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58440414 0.74635154 0.74961900 1\n C C1 1 0.08427808 -0.15462934 -0.05350417 1\n C C2 1 0.58387349 0.72066605 0.43005984 1\n C C3 1 0.08325586 0.47820166 0.94633359 1\n C C4 1 0.08352888 0.50498594 0.26667056 1\n C C5 1 0.58346380 0.08676435 0.43023707 1\n C C6 1 1.08385652 0.13875235 0.26652600 1\n C C7 1 0.58328283 0.38025274 0.74953092 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48183000\n_cell_length_b 3.66758000\n_cell_length_c 5.57179000\n_cell_angle_alpha 70.73719000\n_cell_angle_beta 77.12091000\n_cell_angle_gamma 90.00791000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.52257927\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39377795 0.42833443 0.68766909 1\n C C1 1 0.78489352 0.81597725 0.91160359 1\n C C2 1 0.66164670 0.43311652 0.15485568 1\n C C3 1 0.28498853 0.05513703 0.91133628 1\n C C4 1 -0.10617295 0.66725968 0.68742461 1\n C C5 1 1.16169890 0.19447500 0.15480498 1\n C C6 1 0.54848057 0.58251846 0.37898023 1\n C C7 1 0.04843209 0.82077354 0.37901744 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48154000\n_cell_length_b 3.68918000\n_cell_length_c 4.84087000\n_cell_angle_alpha 122.57164000\n_cell_angle_beta 75.14734000\n_cell_angle_gamma 109.67322000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00928488\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40102352 0.45190537 0.00969662 1\n C C1 1 -0.11853332 0.63398072 0.23119239 1\n C C2 1 0.62590378 0.69114198 0.80288503 1\n C C3 1 0.65967344 0.39485207 0.43783310 1\n C C4 1 0.08135975 0.10721378 0.30690738 1\n C C5 1 1.20445884 -0.02147673 0.93357698 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48224000\n_cell_length_b 3.72842000\n_cell_length_c 4.58448000\n_cell_angle_alpha 90.02330000\n_cell_angle_beta 122.78127000\n_cell_angle_gamma 89.99150000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.67157096\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60705606 0.28052366 0.38545114 1\n C C1 1 0.10697053 1.04260761 0.38530134 1\n C C2 1 0.01633331 0.28031141 0.79443685 1\n C C3 1 0.80959568 0.77627677 0.08959171 1\n C C4 1 0.30980060 0.54647597 0.08976631 1\n C C5 1 0.51602553 0.04246869 0.79424535 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.23429000\n_cell_length_b 2.47287000\n_cell_length_c 6.10854000\n_cell_angle_alpha 101.64966000\n_cell_angle_beta 111.93065000\n_cell_angle_gamma 112.55787000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.30481753\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06384852 0.33198509 0.14982909 1\n C C1 1 0.64242388 0.72981888 0.36861270 1\n C C2 1 0.05398865 0.64056182 0.77781699 1\n C C3 1 0.79449398 0.38231851 0.52144652 1\n C C4 1 0.20702896 0.29397384 0.93073290 1\n C C5 1 0.78615212 0.69300696 0.14971250 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.94569000\n_cell_length_b 4.19183000\n_cell_length_c 4.43638000\n_cell_angle_alpha 112.18503000\n_cell_angle_beta 101.33091000\n_cell_angle_gamma 58.29699000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.15525961\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46299283 0.15695608 0.73535321 1\n C C1 1 0.48965817 0.42626178 1.04536244 1\n C C2 1 0.11147213 0.80922358 0.04584275 1\n C C3 1 0.89904736 0.21235710 0.23522709 1\n C C4 1 0.84050152 0.77397140 0.73488547 1\n C C5 1 1.05345758 0.37087096 0.54533704 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49184000\n_cell_length_b 4.35130000\n_cell_length_c 3.59360000\n_cell_angle_alpha 84.31101000\n_cell_angle_beta 110.28243000\n_cell_angle_gamma 106.60292000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02472108\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98599250 0.32446545 0.60608622 1\n C C1 1 0.27499782 0.53036913 -0.02344702 1\n C C2 1 0.35769046 0.32481973 0.34750347 1\n C C3 1 0.88025920 0.74269487 -0.02380652 1\n C C4 1 0.16828863 0.94844667 0.34715558 1\n C C5 1 0.79732610 0.94831376 0.60580288 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40011000\n_cell_length_b 4.78911000\n_cell_length_c 3.40007000\n_cell_angle_alpha 102.62110000\n_cell_angle_beta 93.85427000\n_cell_angle_gamma 57.34701000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.40182071\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18567717 0.26258400 0.78988160 1\n C C1 1 -0.04148959 0.81686032 0.59658112 1\n C C2 1 0.43208953 0.60371874 0.37605933 1\n C C3 1 0.53171103 0.05261632 0.40667632 1\n C C4 1 0.78576346 0.60705796 0.73437111 1\n C C5 1 0.01318401 0.05206508 -0.07540374 1\n C C6 1 0.53918397 0.26565561 0.14526111 1\n C C7 1 0.43891953 0.81748457 0.11681704 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42675000\n_cell_length_b 6.32333000\n_cell_length_c 7.64874000\n_cell_angle_alpha 46.16718000\n_cell_angle_beta 90.01392000\n_cell_angle_gamma 101.03886000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.63549676\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05522046 0.19941850 0.90407383 1\n C C1 1 -0.24010951 -0.17511022 0.61193994 1\n C C2 1 0.46262375 0.23736029 0.97258699 1\n C C3 1 1.14411953 0.61099982 0.32780683 1\n C C4 1 0.40784603 0.13517809 0.22074808 1\n C C5 1 0.27932987 -0.13660594 0.67984679 1\n C C6 1 1.06421196 0.45182619 0.25632283 1\n C C7 1 0.34061005 0.98946120 0.77690546 1\n C C8 1 0.80438623 0.92767390 0.36400356 1\n C C9 1 0.52170063 0.36500418 0.23170192 1\n C C10 1 0.88182758 1.07381950 -0.19360324 1\n C C11 1 0.68905294 0.69856038 0.35210500 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43919000\n_cell_length_b 4.23436000\n_cell_length_c 7.37727000\n_cell_angle_alpha 118.33482000\n_cell_angle_beta 99.58571000\n_cell_angle_gamma 89.94200000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.86223444\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82516258 0.02499691 0.11628357 1\n C C1 1 0.52958068 0.49215932 0.50341561 1\n C C2 1 1.03926755 0.00845055 0.53286951 1\n C C3 1 0.70263652 0.21881856 0.86737947 1\n C C4 1 0.49191880 0.77591497 0.43874980 1\n C C5 1 0.15114036 1.15058486 0.76393475 1\n C C6 1 0.36517135 0.59278097 0.19210908 1\n C C7 1 0.03462100 0.34442047 0.51549470 1\n C C8 1 0.81713410 0.36049450 0.09831545 1\n C C9 1 0.33040467 0.87701148 0.12809815 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44276000\n_cell_length_b 6.66383000\n_cell_length_c 4.17176000\n_cell_angle_alpha 96.82925000\n_cell_angle_beta 89.94948000\n_cell_angle_gamma 90.26010000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.42596833\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34114962 0.05717310 0.54763386 1\n C C1 1 0.34566192 0.00745317 0.19293422 1\n C C2 1 0.32997037 0.29486811 0.66400231 1\n C C3 1 -0.17106141 0.34495774 0.85506643 1\n C C4 1 0.32854075 0.42535500 0.36976084 1\n C C5 1 0.83394052 0.73873275 0.57106804 1\n C C6 1 0.84659229 0.98910179 0.03440517 1\n C C7 1 -0.15932174 0.96074843 0.67807938 1\n C C8 1 0.33217556 0.64181568 0.51676625 1\n C C9 1 0.82809082 0.39432203 0.17321621 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49681000\n_cell_length_b 4.44572000\n_cell_length_c 9.15345000\n_cell_angle_alpha 57.67844000\n_cell_angle_beta 82.09808000\n_cell_angle_gamma 73.67191000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.38852326\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67368961 0.54875790 0.78556428 1\n C C1 1 0.48060989 0.22870230 0.48253214 1\n C C2 1 0.66340409 0.88515163 0.46625728 1\n C C3 1 0.20648637 0.90805238 0.35959907 1\n C C4 1 0.61811630 0.36784540 0.08214202 1\n C C5 1 0.38157806 0.59721798 0.31864164 1\n C C6 1 0.88495746 0.88612691 0.02259272 1\n C C7 1 0.72945384 0.26581253 -0.04500500 1\n C C8 1 0.77466284 0.49531741 0.63572424 1\n C C9 1 0.46883799 0.77781606 0.96616778 1\n C C10 1 1.10675915 0.27736757 0.19491795 1\n C C11 1 0.51017233 0.87689014 0.78507732 1\n C C12 1 -0.07340000 0.61148844 0.21780552 1\n C C13 1 0.38910497 0.25986075 0.63804702 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34939000\n_cell_length_b 3.85329000\n_cell_length_c 4.81745000\n_cell_angle_alpha 101.76893000\n_cell_angle_beta 77.61536000\n_cell_angle_gamma 79.67369000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.81204260\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42303793 0.57283558 -0.19474207 1\n C C1 1 0.09898404 0.18203289 0.52832998 1\n C C2 1 0.09158900 0.16258641 1.03572610 1\n C C3 1 0.99497576 0.82667868 0.89210787 1\n C C4 1 0.37406882 0.11027452 0.22825453 1\n C C5 1 0.68049017 0.41623602 0.22479449 1\n C C6 1 0.61906141 0.71658807 0.06376662 1\n C C7 1 0.35809845 0.21007803 0.75838606 1\n C C8 1 -0.23974042 0.54255350 0.52658412 1\n C C9 1 0.82052015 0.92808032 0.63801010 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51649000\n_cell_length_b 2.48751000\n_cell_length_c 4.97299000\n_cell_angle_alpha 90.00404000\n_cell_angle_beta 89.99778000\n_cell_angle_gamma 90.01139000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.50025452\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29192185 0.19273301 0.86224264 1\n C C1 1 0.54100267 0.69269299 0.86224030 1\n C C2 1 0.79189996 0.69271385 0.11224266 1\n C C3 1 1.04100691 0.19270665 0.61225383 1\n C C4 1 0.54102426 0.69273346 0.36224242 1\n C C5 1 0.29190414 0.19275264 0.36224950 1\n C C6 1 0.79191144 0.69265750 0.61224446 1\n C C7 1 1.04101486 0.19275089 0.11224378 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60731000\n_cell_length_b 4.66001000\n_cell_length_c 4.53123000\n_cell_angle_alpha 61.49153000\n_cell_angle_beta 54.16295000\n_cell_angle_gamma 74.38114000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.21633731\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46940164 0.03003632 0.46534805 1\n C C1 1 1.27675064 0.58665548 0.37424230 1\n C C2 1 -0.03737853 0.35454155 0.80308675 1\n C C3 1 0.59048316 0.35463753 0.17738823 1\n C C4 1 0.09746149 0.03000718 0.83962756 1\n C C5 1 0.78345370 0.79844253 0.26826221 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.33979000\n_cell_length_b 3.01264000\n_cell_length_c 9.20137000\n_cell_angle_alpha 86.40451000\n_cell_angle_beta 77.72055000\n_cell_angle_gamma 100.71377000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 114.84255796\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83985966 0.79954955 0.32298267 1\n C C1 1 0.55641552 0.73538016 1.04966788 1\n C C2 1 0.68241706 0.75621288 0.63540539 1\n C C3 1 0.97295941 1.01352819 0.54877749 1\n C C4 1 1.04400147 0.07515670 0.39520604 1\n C C5 1 0.69443655 -0.17635459 0.78483080 1\n C C6 1 0.03058854 -0.02457101 0.78538250 1\n C C7 1 0.45659522 0.80699507 0.91497817 1\n C C8 1 0.88824214 0.73537375 1.04671570 1\n C C9 1 0.18464575 0.18284102 0.63765206 1\n C C10 1 0.53964790 0.56275047 0.40486836 1\n C C11 1 0.46484989 0.49746162 0.56586598 1\n C C12 1 0.99699317 0.69951955 0.17760090 1\n C C13 1 0.31852774 0.39466631 0.32135676 1\n C C14 1 0.13182958 0.83790542 0.91295446 1\n C C15 1 0.31005129 0.61449949 0.17843844 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48143000\n_cell_length_b 3.68792000\n_cell_length_c 4.22048000\n_cell_angle_alpha 104.99745000\n_cell_angle_beta 89.92128000\n_cell_angle_gamma 109.64082000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98082428\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80100776 0.84366302 0.58929686 1\n C C1 1 0.68082481 0.59747171 0.21536944 1\n C C2 1 -0.00011321 0.24107941 0.51335183 1\n C C3 1 0.22244036 0.68671062 0.71989718 1\n C C4 1 0.25920871 0.75444582 0.08473636 1\n C C5 1 0.47955128 0.19994642 0.29103114 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42940000\n_cell_length_b 3.17183000\n_cell_length_c 6.03082000\n_cell_angle_alpha 97.88578000\n_cell_angle_beta 106.92773000\n_cell_angle_gamma 80.03543000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.60096881\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53264293 0.86498816 -0.03200884 1\n C C1 1 0.30981111 0.42141927 0.52285499 1\n C C2 1 0.64160442 0.09180240 0.18862924 1\n C C3 1 -0.02387613 0.75550509 0.85616722 1\n C C4 1 1.19800849 0.20225240 0.30047943 1\n C C5 1 0.86650478 0.53119127 0.63492825 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47541000\n_cell_length_b 4.18302000\n_cell_length_c 4.79450000\n_cell_angle_alpha 115.88005000\n_cell_angle_beta 89.99889000\n_cell_angle_gamma 89.99970000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.66659672\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55881080 0.37210632 0.88485505 1\n C C1 1 0.55879263 1.00124518 0.88502179 1\n C C2 1 1.05881337 0.42417721 0.72971871 1\n C C3 1 0.05872714 0.75785951 0.39643411 1\n C C4 1 0.05870908 0.12725413 0.39635705 1\n C C5 1 1.05879531 0.79357183 0.72964165 1\n C C6 1 0.55872982 0.55018616 0.24105397 1\n C C7 1 0.55871166 0.17932503 0.24122071 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43228000\n_cell_length_b 5.67930000\n_cell_length_c 8.41344000\n_cell_angle_alpha 130.92522000\n_cell_angle_beta 93.91678000\n_cell_angle_gamma 91.32136000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.25175482\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11060229 0.31708431 0.27267957 1\n C C1 1 0.84548975 0.56285142 0.93010576 1\n C C2 1 0.82492581 0.74984957 0.16137583 1\n C C3 1 0.88657360 -0.00980839 0.83765261 1\n C C4 1 0.55680576 0.20974003 0.16455446 1\n C C5 1 0.33175196 1.05738618 0.50097899 1\n C C6 1 0.35184306 0.62555824 0.84817845 1\n C C7 1 0.42141767 -0.03803033 -0.06997901 1\n C C8 1 0.83522466 1.00872940 0.58565514 1\n C C9 1 0.79266198 0.74576947 0.59287555 1\n C C10 1 0.29952196 0.39688555 0.60903449 1\n C C11 1 0.24478167 0.53815883 0.50792338 1\n C C12 1 0.87509452 0.23167172 0.81738075 1\n C C13 1 0.33825331 0.84111711 0.26777142 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.87994000\n_cell_length_b 2.43106000\n_cell_length_c 4.69787000\n_cell_angle_alpha 74.95618000\n_cell_angle_beta 83.47243000\n_cell_angle_gamma 89.74191000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.50149835\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04419200 0.28386937 0.87751831 1\n C C1 1 0.71267766 -0.04891696 0.54306855 1\n C C2 1 0.37737939 0.61737079 0.21096481 1\n C C3 1 0.49023871 0.06267125 0.32051696 1\n C C4 1 0.15832988 0.72957235 0.98653752 1\n C C5 1 0.82499846 0.39620970 0.65301605 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48588000\n_cell_length_b 4.14600000\n_cell_length_c 7.13166000\n_cell_angle_alpha 113.36901000\n_cell_angle_beta 90.00214000\n_cell_angle_gamma 89.99806000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.47272416\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78151153 0.34690941 0.46764848 1\n C C1 1 0.28173286 0.01709620 1.01716735 1\n C C2 1 0.28157194 0.85008804 0.17337622 1\n C C3 1 0.78166652 0.52018814 0.72194871 1\n C C4 1 0.78163385 0.62346190 0.17408035 1\n C C5 1 0.78162651 1.22167299 0.79105352 1\n C C6 1 0.78166172 0.64624763 0.39970498 1\n C C7 1 0.78170545 0.24371664 1.01631733 1\n C C8 1 0.28156018 0.12537141 0.39690121 1\n C C9 1 0.28165477 0.85898569 0.48547876 1\n C C10 1 0.28161816 1.00960707 0.70563573 1\n C C11 1 0.28166821 0.74168606 0.79303796 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.12955000\n_cell_length_b 3.75801000\n_cell_length_c 5.69844000\n_cell_angle_alpha 90.03668000\n_cell_angle_beta 88.43399000\n_cell_angle_gamma 60.26360000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.16390704\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75276331 0.22215600 0.48365023 1\n C C1 1 0.74994315 0.53714470 0.09484205 1\n C C2 1 0.75455617 0.53479377 0.33339643 1\n C C3 1 0.75813121 0.71531104 0.71443618 1\n C C4 1 0.74720269 0.22487351 0.94502220 1\n C C5 1 0.75587639 0.84874958 0.48370847 1\n C C6 1 -0.25480968 0.35820405 0.71447694 1\n C C7 1 0.75096606 0.85128176 0.94531010 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48748000\n_cell_length_b 4.29352000\n_cell_length_c 6.77888000\n_cell_angle_alpha 106.67258000\n_cell_angle_beta 97.91843000\n_cell_angle_gamma 90.01286000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.63350195\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62127876 0.58016292 0.17488111 1\n C C1 1 0.30886128 0.47360060 0.71007048 1\n C C2 1 0.82071964 0.31826268 0.74205560 1\n C C3 1 0.10882962 1.04666495 0.14205447 1\n C C4 1 0.23666518 0.55519381 0.50135301 1\n C C5 1 0.69432861 0.50031824 0.38376966 1\n C C6 1 0.10968583 0.73500113 0.14233675 1\n C C7 1 0.30930957 0.82232761 0.70966413 1\n C C8 1 0.62106197 0.23146302 0.17596003 1\n C C9 1 -0.17808954 0.00738803 0.74354016 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48130000\n_cell_length_b 3.68843000\n_cell_length_c 4.83512000\n_cell_angle_alpha 68.59926000\n_cell_angle_beta 75.11873000\n_cell_angle_gamma 109.66793000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97111677\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78261452 0.45879120 0.61259735 1\n C C1 1 0.09727738 0.51696224 1.04117092 1\n C C2 1 0.05663704 0.93168448 0.53670585 1\n C C3 1 0.80561862 0.80398036 0.91061922 1\n C C4 1 1.08026669 0.27715730 0.83461519 1\n C C5 1 0.76637905 0.21926433 0.40584698 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48588000\n_cell_length_b 5.39611000\n_cell_length_c 7.06368000\n_cell_angle_alpha 105.28884000\n_cell_angle_beta 90.00621000\n_cell_angle_gamma 90.00166000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.39936658\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35244913 0.29232463 0.95118758 1\n C C1 1 0.35335472 0.30023203 0.56673771 1\n C C2 1 -0.14726269 0.37112546 0.28234047 1\n C C3 1 -0.14720366 0.70707841 0.67344686 1\n C C4 1 0.35290892 0.57514460 0.57544471 1\n C C5 1 0.35272933 0.80608945 0.33291330 1\n C C6 1 0.35239384 -0.17101305 0.12875024 1\n C C7 1 0.85317766 0.21291950 0.44012611 1\n C C8 1 0.35292375 0.14175369 0.72492735 1\n C C9 1 0.85222382 0.93346173 0.05269280 1\n C C10 1 0.35246371 0.58021401 0.95369092 1\n C C11 1 -0.14711489 -0.06179960 0.43080266 1\n C C12 1 0.35284922 0.53699641 0.35131387 1\n C C13 1 0.85248894 0.68463266 -0.12269372 1\n C C14 1 -0.14759311 0.22104107 0.05621027 1\n C C15 1 0.85295739 0.97623540 0.65504908 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.21729000\n_cell_length_b 5.50167000\n_cell_length_c 7.66652000\n_cell_angle_alpha 121.27623000\n_cell_angle_beta 99.33640000\n_cell_angle_gamma 94.84440000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 112.13139677\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41153046 0.89172125 0.62037502 1\n C C1 1 0.65047900 0.62979162 0.94077324 1\n C C2 1 0.60429570 0.97120929 0.49854023 1\n C C3 1 0.19839373 0.22481991 0.13596359 1\n C C4 1 0.35694968 0.10813161 0.81885647 1\n C C5 1 0.33544281 0.48773948 0.14962097 1\n C C6 1 0.57519965 0.77312365 0.28311200 1\n C C7 1 0.27878783 0.62866473 0.60743675 1\n C C8 1 0.83236054 0.25293530 0.58784776 1\n C C9 1 0.27977534 0.70785458 0.82483800 1\n C C10 1 0.03782955 0.34352414 0.47385513 1\n C C11 1 0.96384203 0.48675608 0.81611682 1\n C C12 1 0.24758883 0.00716225 0.93648111 1\n C C13 1 -0.21863898 0.86345300 0.16905060 1\n C C14 1 0.33383286 0.40881766 0.93229211 1\n C C15 1 1.00648346 0.14571334 0.25812658 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45434000\n_cell_length_b 3.35472000\n_cell_length_c 7.39967000\n_cell_angle_alpha 81.14568000\n_cell_angle_beta 80.53283000\n_cell_angle_gamma 68.27187000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.53802029\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61281237 0.41990664 0.40420680 1\n C C1 1 0.35986570 0.21643819 0.11825566 1\n C C2 1 0.92635811 0.17361119 0.02832251 1\n C C3 1 0.62600599 1.04760193 0.74832893 1\n C C4 1 0.36822455 0.85275037 0.46066955 1\n C C5 1 0.23653171 0.26207868 0.31441609 1\n C C6 1 0.74375724 1.00984532 0.55111886 1\n C C7 1 1.06009533 0.08835068 0.83890749 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49069000\n_cell_length_b 4.35200000\n_cell_length_c 3.59243000\n_cell_angle_alpha 84.30670000\n_cell_angle_beta 110.28119000\n_cell_angle_gamma 106.62293000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99942189\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81042594 0.09177733 0.98467277 1\n C C1 1 0.20513590 0.87952849 -0.01492124 1\n C C2 1 0.72849936 0.29753246 0.61499515 1\n C C3 1 0.28870307 0.67392328 0.35609733 1\n C C4 1 1.09978753 0.29775324 0.35583833 1\n C C5 1 0.91811460 0.67377559 0.61548367 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48336000\n_cell_length_b 5.12585000\n_cell_length_c 6.28572000\n_cell_angle_alpha 92.88381000\n_cell_angle_beta 101.40373000\n_cell_angle_gamma 118.99724000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.59708224\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32682173 0.80492792 0.29180232 1\n C C1 1 0.88378390 0.71072207 0.59382974 1\n C C2 1 0.35207504 0.18777424 0.57472220 1\n C C3 1 0.54603049 0.80742991 0.72418500 1\n C C4 1 0.58143483 0.73021707 0.95032632 1\n C C5 1 0.90040701 0.16603612 0.71591776 1\n C C6 1 -0.02798984 0.44612734 0.29918345 1\n C C7 1 0.66720317 0.25671892 0.06813294 1\n C C8 1 0.20573685 0.35526966 -0.05208240 1\n C C9 1 -0.01228208 -0.09962335 0.42177186 1\n C C10 1 1.29221937 0.88281247 1.06587339 1\n C C11 1 0.52073142 0.42359993 0.44077903 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42708000\n_cell_length_b 5.38905000\n_cell_length_c 5.90019000\n_cell_angle_alpha 69.00431000\n_cell_angle_beta 114.36303000\n_cell_angle_gamma 102.74524000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.39184805\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03373683 0.43607250 0.46624764 1\n C C1 1 0.70956764 0.46467372 0.19510738 1\n C C2 1 0.40186486 0.90635648 0.66045983 1\n C C3 1 0.14535421 0.93478416 0.38944930 1\n C C4 1 0.81085273 0.27728863 0.88875179 1\n C C5 1 0.03619216 0.91075927 0.79263394 1\n C C6 1 0.53308372 -0.02200558 0.25516868 1\n C C7 1 0.07548610 0.46025548 1.06299700 1\n C C8 1 0.57916945 0.39310675 0.60065750 1\n C C9 1 0.29950846 0.09363059 0.96689854 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55912000\n_cell_length_b 2.43315000\n_cell_length_c 8.10729000\n_cell_angle_alpha 126.98194000\n_cell_angle_beta 82.11289000\n_cell_angle_gamma 89.88349000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.71583765\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74430052 0.47956327 0.58359852 1\n C C1 1 0.39373906 0.81262418 0.24967690 1\n C C2 1 0.68788960 1.19438665 0.69081482 1\n C C3 1 -0.15144479 0.02063856 0.35365239 1\n C C4 1 0.56490231 0.63982547 0.91236413 1\n C C5 1 0.50438290 0.35470697 0.01956024 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41463000\n_cell_length_b 3.85181000\n_cell_length_c 7.05616000\n_cell_angle_alpha 75.73602000\n_cell_angle_beta 80.79804000\n_cell_angle_gamma 96.79654000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.57227080\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61849834 0.63389350 0.61905998 1\n C C1 1 0.21895987 0.46642469 0.75173084 1\n C C2 1 0.38186767 -0.09913495 0.90504485 1\n C C3 1 0.18155846 0.45933342 0.42788196 1\n C C4 1 0.74965523 -0.06776185 0.72686664 1\n C C5 1 0.08358220 0.50768693 0.22872061 1\n C C6 1 0.95229448 0.20944650 0.12067000 1\n C C7 1 0.31884179 0.24062080 0.94182275 1\n C C8 1 0.52197759 0.68284238 0.41944766 1\n C C9 1 0.77356859 0.80622763 0.21669402 1\n C C10 1 0.48159548 0.67557835 0.09542580 1\n C C11 1 0.68473406 0.42703924 1.00428107 1\n C C12 1 0.92742810 0.33584265 0.62993400 1\n C C13 1 1.01756765 0.71513001 0.84314523 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.61119000\n_cell_length_b 4.23620000\n_cell_length_c 3.79578000\n_cell_angle_alpha 53.42236000\n_cell_angle_beta 81.16907000\n_cell_angle_gamma 75.39208000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.12278869\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02849697 0.00345404 0.53172805 1\n C C1 1 0.83577256 0.40924375 0.31755923 1\n C C2 1 0.33529583 -0.03026798 0.25903031 1\n C C3 1 0.33518417 0.35001267 0.87733164 1\n C C4 1 1.02855373 0.62279841 0.91277434 1\n C C5 1 0.52792944 0.56397780 0.47239742 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52160000\n_cell_length_b 3.54378000\n_cell_length_c 8.77585000\n_cell_angle_alpha 84.10803000\n_cell_angle_beta 106.70908000\n_cell_angle_gamma 110.86721000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.18321739\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36028254 0.61399448 0.16186852 1\n C C1 1 0.46200077 0.24465266 0.94876730 1\n C C2 1 0.60743943 0.24398398 0.59432898 1\n C C3 1 0.31006972 0.87275210 0.48267174 1\n C C4 1 0.15404886 0.88239340 0.82229743 1\n C C5 1 0.43120341 0.43506140 0.32223441 1\n C C6 1 0.06350084 0.24444038 0.05017924 1\n C C7 1 0.68039551 0.61361463 0.48262072 1\n C C8 1 0.51581853 0.60572027 0.82224602 1\n C C9 1 0.20899546 0.24440184 0.69574742 1\n C C10 1 0.98984350 0.87309492 0.16177007 1\n C C11 1 0.23922593 0.05037774 0.32223395 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43220000\n_cell_length_b 3.65806000\n_cell_length_c 7.09841000\n_cell_angle_alpha 104.25405000\n_cell_angle_beta 70.69492000\n_cell_angle_gamma 91.65061000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.67378419\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79597975 0.23205246 0.88595160 1\n C C1 1 0.12809169 0.56651071 0.55326021 1\n C C2 1 0.29602861 0.73193802 0.38589253 1\n C C3 1 0.37889642 0.31343389 0.80230295 1\n C C4 1 0.62808995 0.06650754 0.05325744 1\n C C5 1 0.04672793 -0.02084504 0.13504129 1\n C C6 1 -0.12104651 0.81331463 0.30223533 1\n C C7 1 0.54669716 0.47921608 0.63508095 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47968000\n_cell_length_b 2.56373000\n_cell_length_c 5.73089000\n_cell_angle_alpha 90.18343000\n_cell_angle_beta 102.42426000\n_cell_angle_gamma 90.00361000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.57918804\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06738070 0.13927154 0.80814638 1\n C C1 1 0.33257452 0.13531844 0.33163858 1\n C C2 1 0.41104255 0.63621568 0.49234620 1\n C C3 1 -0.23930076 0.13553370 0.18730790 1\n C C4 1 0.63979731 0.13953309 -0.04769679 1\n C C5 1 0.98761468 0.63731355 0.64733953 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47643000\n_cell_length_b 4.25691000\n_cell_length_c 5.94384000\n_cell_angle_alpha 110.98034000\n_cell_angle_beta 102.04101000\n_cell_angle_gamma 90.00799000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.02582255\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68653242 0.43752200 1.02541773 1\n C C1 1 0.01553745 0.57732650 0.68826242 1\n C C2 1 -0.12811174 0.43422358 0.40340020 1\n C C3 1 0.55526014 0.44374228 0.76909295 1\n C C4 1 0.31517122 0.22164533 0.29140608 1\n C C5 1 0.49342194 1.05613679 0.64768869 1\n C C6 1 0.81092699 0.70030555 0.28176007 1\n C C7 1 0.18644135 0.22229450 1.02535433 1\n C C8 1 0.35203847 0.91468743 0.36252722 1\n C C9 1 0.04935275 0.95517533 0.75910331 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45741000\n_cell_length_b 3.66421000\n_cell_length_c 6.40664000\n_cell_angle_alpha 74.52515000\n_cell_angle_beta 90.05833000\n_cell_angle_gamma 70.43710000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.12768800\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15321233 0.51900296 0.91317022 1\n C C1 1 0.43019474 -0.02994179 0.34073695 1\n C C2 1 0.80662455 0.21559397 0.25444594 1\n C C3 1 0.20953849 0.40927344 0.53863429 1\n C C4 1 0.70520258 0.41613202 1.01811705 1\n C C5 1 0.43437923 -0.03893040 0.58915637 1\n C C6 1 0.05605349 0.71538348 0.67632630 1\n C C7 1 0.65286719 0.52191251 0.39245456 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46755000\n_cell_length_b 3.36892000\n_cell_length_c 5.21750000\n_cell_angle_alpha 91.45361000\n_cell_angle_beta 89.80892000\n_cell_angle_gamma 111.06742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.46003113\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72667599 1.08727499 0.48705059 1\n C C1 1 1.13959760 0.91190433 0.61178400 1\n C C2 1 0.57752937 -0.21640833 0.00994722 1\n C C3 1 0.53852524 0.70560501 0.28399421 1\n C C4 1 -0.04878255 0.53027069 0.40876242 1\n C C5 1 0.10377815 0.83639451 0.88627587 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.95278000\n_cell_length_b 5.63480000\n_cell_length_c 5.27230000\n_cell_angle_alpha 52.38826000\n_cell_angle_beta 102.83422000\n_cell_angle_gamma 92.72403000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 90.10912891\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78701046 1.08775676 0.75837698 1\n C C1 1 0.58435037 0.27898254 0.76938089 1\n C C2 1 0.30738767 0.77931283 0.55023345 1\n C C3 1 0.28680986 0.08763554 0.25824789 1\n C C4 1 0.47769135 0.08723630 1.06836276 1\n C C5 1 0.11728470 0.77975507 0.74053017 1\n C C6 1 0.61700277 0.77962764 0.24035558 1\n C C7 1 1.08307290 0.27872003 0.26846663 1\n C C8 1 0.51146964 0.58827983 0.54013681 1\n C C9 1 0.97745647 0.08718386 0.56813030 1\n C C10 1 0.00969677 0.58792653 0.03899559 1\n C C11 1 0.80603312 0.77905718 0.04935484 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48243000\n_cell_length_b 3.84631000\n_cell_length_c 4.48859000\n_cell_angle_alpha 90.00796000\n_cell_angle_beta 56.40692000\n_cell_angle_gamma 90.00124000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.70014744\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76521106 0.69137898 0.42030241 1\n C C1 1 0.49765165 0.98600433 0.68759088 1\n C C2 1 0.76523169 0.28120732 0.42048504 1\n C C3 1 0.76914032 -0.01397322 0.91643228 1\n C C4 1 0.50171000 0.69128286 0.18362894 1\n C C5 1 0.50177978 0.28109833 0.18372865 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48315000\n_cell_length_b 4.32624000\n_cell_length_c 5.00965000\n_cell_angle_alpha 70.46769000\n_cell_angle_beta 85.58877000\n_cell_angle_gamma 113.23553000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.23116723\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70257017 0.62394197 0.74495913 1\n C C1 1 0.50109165 0.47510040 0.50440406 1\n C C2 1 -0.09235510 0.19604304 0.22071056 1\n C C3 1 0.70000237 0.80686145 0.22040628 1\n C C4 1 0.50382067 0.29217165 0.02895820 1\n C C5 1 0.82184914 0.24372580 0.50468273 1\n C C6 1 0.29524295 0.90270046 0.02886546 1\n C C7 1 0.38013265 0.85465573 0.74506497 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44914000\n_cell_length_b 4.24767000\n_cell_length_c 6.72660000\n_cell_angle_alpha 86.92592000\n_cell_angle_beta 88.68395000\n_cell_angle_gamma 81.32054000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.06898419\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70402092 -0.01183567 0.70457248 1\n C C1 1 0.12133795 0.92371538 0.23605001 1\n C C2 1 0.04610360 0.58023699 0.30090269 1\n C C3 1 0.25270442 0.87809680 0.01778994 1\n C C4 1 0.91533563 0.63728045 0.68399929 1\n C C5 1 0.55399425 0.43078437 0.20824068 1\n C C6 1 0.60333463 1.10076180 0.30104262 1\n C C7 1 0.47303707 0.53068432 0.99319967 1\n C C8 1 1.00803507 0.43662569 0.87397146 1\n C C9 1 0.60251648 0.20993647 0.51662782 1\n C C10 1 0.16073011 1.08058928 0.83494097 1\n C C11 1 1.03820817 0.43715072 0.51274059 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46484000\n_cell_length_b 4.26131000\n_cell_length_c 8.13059000\n_cell_angle_alpha 64.73037000\n_cell_angle_beta 62.57003000\n_cell_angle_gamma 89.46873000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.65101747\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.09413719 0.05798081 0.91382219 1\n C C1 1 0.11915240 0.32466041 0.68074037 1\n C C2 1 0.69298011 0.03300894 0.24189902 1\n C C3 1 0.28895687 -0.17912957 0.99356945 1\n C C4 1 0.52317084 0.53694915 0.92914849 1\n C C5 1 0.90522643 0.29983536 0.00911377 1\n C C6 1 0.04658917 0.08819811 0.34321243 1\n C C7 1 0.67850236 0.90063679 0.58689170 1\n C C8 1 0.79485710 0.67638422 0.23415203 1\n C C9 1 0.76553833 0.26939260 0.57951176 1\n C C10 1 1.01649843 0.68141639 0.68839207 1\n C C11 1 0.13278425 0.45701529 0.33577502 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43199000\n_cell_length_b 6.41708000\n_cell_length_c 5.87697000\n_cell_angle_alpha 75.25790000\n_cell_angle_beta 90.61262000\n_cell_angle_gamma 79.08348000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.92568025\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28358824 0.50533335 0.40133164 1\n C C1 1 0.35775222 0.18420221 -0.09599006 1\n C C2 1 0.61747598 0.83790993 0.40212182 1\n C C3 1 0.83933495 0.39387337 0.40041125 1\n C C4 1 0.24540033 0.40627185 -0.09641682 1\n C C5 1 0.69046997 0.51729816 -0.09588096 1\n C C6 1 0.50749783 1.06002451 0.40120785 1\n C C7 1 0.95143733 0.17141690 0.40212839 1\n C C8 1 1.02422382 0.85145482 0.90261541 1\n C C9 1 0.57957854 0.73984467 0.90199899 1\n C C10 1 0.17256679 0.72744886 0.40023459 1\n C C11 1 0.91277639 0.07361006 0.90201969 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40201000\n_cell_length_b 3.35218000\n_cell_length_c 4.58264000\n_cell_angle_alpha 111.50883000\n_cell_angle_beta 90.89187000\n_cell_angle_gamma 87.90675000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.58912779\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99316805 -0.08050661 0.05426041 1\n C C1 1 0.33937537 0.66036565 0.87257363 1\n C C2 1 0.35174467 0.31902523 0.55308849 1\n C C3 1 0.49297504 0.43137503 1.07785615 1\n C C4 1 0.64734453 0.99720237 0.87287557 1\n C C5 1 0.16018119 0.35953976 0.26804854 1\n C C6 1 0.63886074 1.02060105 0.55386746 1\n C C7 1 -0.17279650 0.69440422 0.26832206 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47177000\n_cell_length_b 3.88135000\n_cell_length_c 5.95761000\n_cell_angle_alpha 89.58801000\n_cell_angle_beta 101.86136000\n_cell_angle_gamma 90.04239000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.93427561\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89477855 0.13147698 0.56439067 1\n C C1 1 -0.03977287 0.80376048 0.69506160 1\n C C2 1 0.36408248 0.32321968 0.50011157 1\n C C3 1 0.68371352 0.40918828 0.13830258 1\n C C4 1 0.24034992 0.41093126 0.25229427 1\n C C5 1 0.46019056 0.59699533 0.69499807 1\n C C6 1 0.02684981 0.12868367 0.82718767 1\n C C7 1 0.55798013 0.31993663 0.89111827 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43836000\n_cell_length_b 4.68871000\n_cell_length_c 4.68965000\n_cell_angle_alpha 67.22871000\n_cell_angle_beta 74.84315000\n_cell_angle_gamma 74.87922000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.94291105\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99843680 0.06824108 0.86358892 1\n C C1 1 0.80876332 0.32860169 0.98261453 1\n C C2 1 0.50210778 0.63616438 0.28836984 1\n C C3 1 0.65393718 0.27543607 0.34327599 1\n C C4 1 0.25874118 0.54187973 0.87284797 1\n C C5 1 0.05456193 0.74427660 0.07525063 1\n C C6 1 0.15342219 0.09847230 0.52036270 1\n C C7 1 0.31124730 0.75493826 0.54929983 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45691000\n_cell_length_b 6.54904000\n_cell_length_c 7.77181000\n_cell_angle_alpha 98.97411000\n_cell_angle_beta 108.41518000\n_cell_angle_gamma 112.09568000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 104.42449369\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23006992 0.84519106 0.05045371 1\n C C1 1 1.24905215 0.21067082 0.70316961 1\n C C2 1 0.58439486 0.30461473 0.44331149 1\n C C3 1 0.27044062 0.67039783 0.76484590 1\n C C4 1 0.20734408 0.91180036 0.45934859 1\n C C5 1 1.26762944 0.45572039 0.47515903 1\n C C6 1 0.54109395 0.80726304 0.39776588 1\n C C7 1 0.55941423 0.33647781 -0.11185076 1\n C C8 1 0.52626943 0.71690688 0.97437699 1\n C C9 1 0.25585101 0.20093080 0.21944087 1\n C C10 1 0.26871391 0.44612998 0.98740702 1\n C C11 1 0.57615911 0.15617795 0.58479292 1\n C C12 1 0.55373163 0.07095745 0.14778996 1\n C C13 1 0.47715357 0.44858919 0.19283800 1\n C C14 1 0.19595085 0.55517700 0.30456010 1\n C C15 1 0.62403556 0.61678574 0.67204170 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42865000\n_cell_length_b 5.91157000\n_cell_length_c 4.22446000\n_cell_angle_alpha 103.11128000\n_cell_angle_beta 106.71466000\n_cell_angle_gamma 52.06028000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.71147705\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74244219 0.83743082 0.57014007 1\n C C1 1 0.60133179 0.80884190 0.20556634 1\n C C2 1 0.23463583 0.56189738 0.73082825 1\n C C3 1 0.09268045 0.08998571 1.03207569 1\n C C4 1 0.32458913 0.62475528 0.09825760 1\n C C5 1 0.46719205 0.09679940 0.79690588 1\n C C6 1 0.81792450 0.34944578 0.25898910 1\n C C7 1 0.95809367 0.37790593 0.62333586 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.52788000\n_cell_length_b 4.71298000\n_cell_length_c 5.95623000\n_cell_angle_alpha 61.35244000\n_cell_angle_beta 79.31947000\n_cell_angle_gamma 88.38586000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.19273908\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65666200 0.93240125 0.87249040 1\n C C1 1 0.16706027 0.48000090 0.22872619 1\n C C2 1 0.29059110 0.23315835 0.49663226 1\n C C3 1 0.69256496 0.69415219 0.49500554 1\n C C4 1 0.72088743 0.41275335 0.94911023 1\n C C5 1 -0.08508533 0.25978587 0.18426741 1\n C C6 1 1.14700697 0.03807355 1.12780026 1\n C C7 1 0.48670638 0.63428074 1.00494974 1\n C C8 1 0.97739720 0.73958479 0.26065039 1\n C C9 1 0.46896388 0.19191533 0.90488517 1\n C C10 1 0.66023956 0.05823961 0.44637637 1\n C C11 1 0.34792277 0.43917910 0.63666530 1\n C C12 1 0.94436844 -0.02200277 0.63859425 1\n C C13 1 0.97619807 0.61400445 0.68715790 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48739000\n_cell_length_b 4.06344000\n_cell_length_c 4.69417000\n_cell_angle_alpha 106.01803000\n_cell_angle_beta 90.07075000\n_cell_angle_gamma 89.97470000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.60354891\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13043038 0.46718674 0.50306250 1\n C C1 1 0.13017765 0.49777183 0.03497537 1\n C C2 1 0.13035022 0.69974541 0.81078981 1\n C C3 1 1.13016768 0.73084614 0.34333522 1\n C C4 1 0.63038961 0.26591714 0.38885081 1\n C C5 1 0.63019144 0.93200128 0.45763308 1\n C C6 1 0.63025272 0.92477342 0.80583102 1\n C C7 1 0.63022299 0.27314083 0.04039169 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.57164000\n_cell_length_b 4.18901000\n_cell_length_c 6.34834000\n_cell_angle_alpha 108.48945000\n_cell_angle_beta 92.93514000\n_cell_angle_gamma 106.46993000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.44373536\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32255292 1.13206759 0.71094433 1\n C C1 1 0.29701030 0.86721544 0.50774167 1\n C C2 1 0.24832956 0.45065635 0.70503827 1\n C C3 1 0.59585607 0.39449248 0.11798326 1\n C C4 1 0.36969721 0.94199276 0.31552455 1\n C C5 1 0.19013434 0.49496662 0.48357934 1\n C C6 1 0.39121985 0.07158092 0.91507478 1\n C C7 1 0.29032482 0.72333439 0.90627395 1\n C C8 1 0.22949694 0.62747216 0.11085770 1\n C C9 1 0.57596409 0.31813478 0.33874234 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47414000\n_cell_length_b 4.80303000\n_cell_length_c 4.80337000\n_cell_angle_alpha 52.93149000\n_cell_angle_beta 75.08354000\n_cell_angle_gamma 75.08560000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.62194395\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90996954 0.19047063 0.85409844 1\n C C1 1 -0.02733458 0.79413606 0.12440677 1\n C C2 1 0.22300042 0.87734197 0.54119561 1\n C C3 1 1.41003714 0.69042534 0.35396841 1\n C C4 1 0.66031992 0.10688393 0.43763059 1\n C C5 1 0.72262915 0.37736006 0.04131017 1\n C C6 1 0.47273764 0.29414553 0.62453831 1\n C C7 1 0.15999296 0.60690889 0.93753791 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.68873000\n_cell_length_b 5.49814000\n_cell_length_c 4.22317000\n_cell_angle_alpha 122.32644000\n_cell_angle_beta 121.24992000\n_cell_angle_gamma 61.09033000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.22824377\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25136070 0.83628321 0.83598734 1\n C C1 1 0.30830601 0.33819238 0.39507868 1\n C C2 1 0.69377683 0.33762327 0.77814810 1\n C C3 1 0.65317071 0.64528434 1.04864515 1\n C C4 1 0.09563911 0.14651703 -0.00921463 1\n C C5 1 0.03821595 0.64496768 0.43176826 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41759000\n_cell_length_b 2.61882000\n_cell_length_c 8.59941000\n_cell_angle_alpha 95.92782000\n_cell_angle_beta 97.99756000\n_cell_angle_gamma 89.37230000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.62671892\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64159942 0.17820359 0.77879177 1\n C C1 1 0.26365775 0.31907224 0.02671108 1\n C C2 1 0.88361995 0.48016455 0.27364334 1\n C C3 1 0.34477145 0.42821585 0.19216085 1\n C C4 1 0.01624218 0.08187459 0.52434937 1\n C C5 1 0.72280593 1.26752645 -0.05513639 1\n C C6 1 -0.03027473 0.55630517 0.44633220 1\n C C7 1 0.10278844 0.14312016 0.69729578 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48743000\n_cell_length_b 4.30504000\n_cell_length_c 4.97294000\n_cell_angle_alpha 125.28387000\n_cell_angle_beta 89.99246000\n_cell_angle_gamma 90.01207000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47015526\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85077660 0.79495973 0.24455114 1\n C C1 1 0.35077660 1.04496976 0.86955615 1\n C C2 1 0.85077660 0.54496976 0.86955615 1\n C C3 1 0.85077660 0.54496976 0.36955615 1\n C C4 1 0.35077660 0.04496976 0.36955615 1\n C C5 1 0.35077660 0.29495973 0.74455114 1\n C C6 1 -0.14922340 0.79495973 0.74455114 1\n C C7 1 0.35077660 0.29495973 0.24455114 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44790000\n_cell_length_b 3.36649000\n_cell_length_c 7.96938000\n_cell_angle_alpha 108.75663000\n_cell_angle_beta 107.85438000\n_cell_angle_gamma 68.92640000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.65573187\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75114299 0.16887913 0.04491521 1\n C C1 1 0.56542883 0.79403935 0.67141074 1\n C C2 1 0.11111447 0.88565547 0.76275752 1\n C C3 1 0.53202528 0.18921464 0.33483481 1\n C C4 1 0.43944696 0.65375986 0.47445379 1\n C C5 1 0.20590440 0.07795978 -0.04614230 1\n C C6 1 0.88100471 0.30589716 0.24207792 1\n C C7 1 0.78928824 0.77091520 0.38234490 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44109000\n_cell_length_b 4.57495000\n_cell_length_c 6.64912000\n_cell_angle_alpha 59.85470000\n_cell_angle_beta 68.42321000\n_cell_angle_gamma 74.46505000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.39385469\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43513750 0.13526879 0.13870555 1\n C C1 1 0.72339462 0.60288177 0.11363718 1\n C C2 1 0.75259617 0.70600542 0.53516463 1\n C C3 1 0.50423817 0.78560341 0.74255385 1\n C C4 1 -0.19632856 0.04356842 0.31397175 1\n C C5 1 0.89014177 1.01680289 0.73911715 1\n C C6 1 0.37274093 0.51422277 0.00950933 1\n C C7 1 -0.05877853 0.36713712 0.51542018 1\n C C8 1 0.66405414 0.96714992 -0.00901535 1\n C C9 1 0.58868829 0.35545199 0.37378643 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48679000\n_cell_length_b 2.48751000\n_cell_length_c 6.57545000\n_cell_angle_alpha 67.79619000\n_cell_angle_beta 79.06760000\n_cell_angle_gamma 59.96536000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60219009\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65516938 0.35914581 0.36476561 1\n C C1 1 0.65449296 0.10945758 0.61485264 1\n C C2 1 -0.01142732 0.77558697 0.28169862 1\n C C3 1 0.32175377 0.44310801 0.94855244 1\n C C4 1 -0.01149865 1.02671214 0.03170145 1\n C C5 1 0.32114236 0.69274528 0.69844903 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49791000\n_cell_length_b 5.65531000\n_cell_length_c 9.06770000\n_cell_angle_alpha 96.94919000\n_cell_angle_beta 85.27309000\n_cell_angle_gamma 88.81755000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 126.66031996\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11157205 0.41982411 0.41516889 1\n C C1 1 0.40840367 0.77050151 0.76966077 1\n C C2 1 0.68691973 0.60329278 0.20414153 1\n C C3 1 0.75365123 0.15352076 0.01783805 1\n C C4 1 0.19673235 1.02615014 0.23094589 1\n C C5 1 0.62883959 0.06379290 0.47636461 1\n C C6 1 0.22173327 0.21351650 0.11563929 1\n C C7 1 0.76568918 0.35261716 0.90982144 1\n C C8 1 0.25986595 0.50148075 0.96591887 1\n C C9 1 0.51083638 0.51032293 0.67622078 1\n C C10 1 0.20858029 0.48634984 0.13163006 1\n C C11 1 -0.26692679 0.11047565 0.65750199 1\n C C12 1 0.30462887 0.76072274 0.93651459 1\n C C13 1 0.71297299 0.87347699 0.18065104 1\n C C14 1 1.04516579 0.51233138 0.58112573 1\n C C15 1 1.04020065 0.75742049 0.55790945 1\n C C16 1 0.57589968 0.79446113 0.47326931 1\n C C17 1 0.14226678 0.14723853 0.39704363 1\n C C18 1 0.77557986 -0.11811439 1.00743787 1\n C C19 1 0.62340648 0.55354858 0.36428188 1\n C C20 1 0.65920525 0.30626343 0.75022978 1\n C C21 1 0.91393924 0.88257599 0.70705173 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51566000\n_cell_length_b 4.11356000\n_cell_length_c 4.19111000\n_cell_angle_alpha 60.56792000\n_cell_angle_beta 107.61179000\n_cell_angle_gamma 90.04382000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.42678643\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08318083 0.07032377 0.11515919 1\n C C1 1 0.88998338 0.78369997 0.72738392 1\n C C2 1 0.08360743 0.73973930 1.11565314 1\n C C3 1 0.27715301 0.39522891 0.50367182 1\n C C4 1 0.27678921 1.02648737 0.50337115 1\n C C5 1 0.88976644 0.41502358 0.72675607 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42587000\n_cell_length_b 6.22975000\n_cell_length_c 8.46806000\n_cell_angle_alpha 52.04235000\n_cell_angle_beta 81.39116000\n_cell_angle_gamma 78.59720000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 98.84618114\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74382937 0.43738946 0.50062770 1\n C C1 1 1.02812674 0.59485748 0.78197425 1\n C C2 1 0.92634012 0.36991595 0.21269661 1\n C C3 1 0.37238838 1.00564661 0.67945137 1\n C C4 1 0.37358565 0.50032329 0.18668163 1\n C C5 1 0.20675896 1.02512554 -0.00519027 1\n C C6 1 0.70142091 0.71949572 0.30762384 1\n C C7 1 0.57940491 0.45691757 0.81726087 1\n C C8 1 0.66912575 0.16747380 0.92773531 1\n C C9 1 0.58058739 0.96113854 0.30946162 1\n C C10 1 1.02885199 0.09140248 0.28351227 1\n C C11 1 0.25112785 0.74277153 0.18776965 1\n C C12 1 0.28182001 0.29522076 0.56801569 1\n C C13 1 0.92416669 0.86750907 0.71541897 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44050000\n_cell_length_b 4.86439000\n_cell_length_c 8.58934000\n_cell_angle_alpha 100.14452000\n_cell_angle_beta 89.97951000\n_cell_angle_gamma 120.15335000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.32598735\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10800265 0.73833048 0.16329058 1\n C C1 1 0.69789929 0.32661819 0.60436785 1\n C C2 1 1.09529046 0.72620973 0.32629804 1\n C C3 1 1.03684673 0.16544949 0.59421499 1\n C C4 1 1.05246782 0.68298508 0.65137725 1\n C C5 1 0.60487252 0.73513501 0.08352414 1\n C C6 1 0.59762921 0.72875196 0.40600129 1\n C C7 1 0.67929484 0.80954258 0.58242745 1\n C C8 1 0.50140705 0.13610036 0.88512067 1\n C C9 1 0.52076073 0.65331336 0.90710542 1\n C C10 1 0.14651277 0.77923571 0.83803083 1\n C C11 1 0.16253304 0.29740374 0.89516399 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41232000\n_cell_length_b 6.88452000\n_cell_length_c 9.16497000\n_cell_angle_alpha 43.68573000\n_cell_angle_beta 97.51022000\n_cell_angle_gamma 79.91411000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 95.80856774\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11567028 0.92408616 0.44779905 1\n C C1 1 1.16313423 0.30289459 0.91473837 1\n C C2 1 0.57567535 1.01506680 0.45966712 1\n C C3 1 0.45385044 0.24654825 0.44388341 1\n C C4 1 1.14590108 0.14790412 0.73170116 1\n C C5 1 0.56492990 0.74644860 0.16589132 1\n C C6 1 0.11018000 0.55361648 0.05347370 1\n C C7 1 0.13935738 0.80032304 0.37410809 1\n C C8 1 0.17361975 0.57278056 0.20700060 1\n C C9 1 0.58839101 0.17369575 0.64072558 1\n C C10 1 0.63015924 0.76532193 0.31969203 1\n C C11 1 0.60095207 0.51807742 0.99932485 1\n C C12 1 0.28487239 0.07242362 0.92950379 1\n C C13 1 0.62405247 0.39360148 0.92636703 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45609000\n_cell_length_b 3.66498000\n_cell_length_c 6.46020000\n_cell_angle_alpha 105.76389000\n_cell_angle_beta 100.96031000\n_cell_angle_gamma 70.46187000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.42514076\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26876193 0.41700592 0.61832113 1\n C C1 1 0.54674381 0.53717312 0.29503415 1\n C C2 1 0.90463665 0.47669475 0.95148174 1\n C C3 1 0.05351028 1.04073933 0.81481879 1\n C C4 1 0.49297273 1.01687997 0.66899953 1\n C C5 1 0.28044431 0.63924415 0.86399064 1\n C C6 1 0.64276281 0.58127918 0.53175255 1\n C C7 1 0.00095458 0.52257448 0.18848057 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.59749000\n_cell_length_b 4.34551000\n_cell_length_c 5.24246000\n_cell_angle_alpha 65.66329000\n_cell_angle_beta 75.51456000\n_cell_angle_gamma 90.53512000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.77611060\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81210571 0.03271386 0.66287885 1\n C C1 1 1.07802928 0.31664222 0.13239405 1\n C C2 1 0.67447662 0.41068485 0.94420033 1\n C C3 1 0.66968865 0.05263834 -0.05575749 1\n C C4 1 0.81399392 0.71201223 0.66283503 1\n C C5 1 0.07308817 0.95850753 0.13245893 1\n C C6 1 0.93196526 0.65721520 0.41390504 1\n C C7 1 0.93459570 0.33650118 0.41387825 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.73597000\n_cell_length_b 4.18748000\n_cell_length_c 4.80919000\n_cell_angle_alpha 108.22517000\n_cell_angle_beta 91.29725000\n_cell_angle_gamma 120.81978000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.79951933\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.13204583 0.56470508 0.12399183 1\n C C1 1 0.30925776 1.00492837 0.62291609 1\n C C2 1 0.46105817 0.15949863 0.93181666 1\n C C3 1 0.52171192 0.21809973 0.43124597 1\n C C4 1 0.90256194 0.59956742 0.43099798 1\n C C5 1 0.24823273 -0.05390283 0.12345328 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44934000\n_cell_length_b 4.55040000\n_cell_length_c 8.95033000\n_cell_angle_alpha 111.58781000\n_cell_angle_beta 114.01397000\n_cell_angle_gamma 74.66473000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 83.95312623\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13486953 -0.08018150 0.46162953 1\n C C1 1 0.07591681 0.55724504 0.63361844 1\n C C2 1 1.06913582 0.65246179 0.32934227 1\n C C3 1 0.52694217 0.51142680 0.25415890 1\n C C4 1 0.60989788 0.39990038 0.60366123 1\n C C5 1 -0.06923307 0.72552356 0.92471626 1\n C C6 1 0.71124506 0.04902066 0.55527955 1\n C C7 1 0.74734606 0.28446610 0.99167210 1\n C C8 1 0.53264710 0.59785642 0.95057298 1\n C C9 1 0.66623155 -0.01810018 0.83482745 1\n C C10 1 0.38993325 0.30653709 0.09527299 1\n C C11 1 0.02752765 0.91354505 0.71911821 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43085000\n_cell_length_b 3.17548000\n_cell_length_c 9.01088000\n_cell_angle_alpha 103.71898000\n_cell_angle_beta 114.23302000\n_cell_angle_gamma 100.72441000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.37866349\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25020414 0.05472656 0.81174900 1\n C C1 1 0.58298496 -0.11192047 0.72812744 1\n C C2 1 0.24892282 1.05096712 0.31274453 1\n C C3 1 0.58215832 0.38548334 0.47887377 1\n C C4 1 0.24972756 0.55424025 0.06187653 1\n C C5 1 0.58264382 0.38877657 0.97810303 1\n C C6 1 0.58168564 0.88571083 0.22888034 1\n C C7 1 0.24940284 0.55209010 0.56247277 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48285000\n_cell_length_b 6.18668000\n_cell_length_c 8.92339000\n_cell_angle_alpha 83.74848000\n_cell_angle_beta 106.13136000\n_cell_angle_gamma 101.40820000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 128.85847273\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52513827 0.93728410 0.36590847 1\n C C1 1 0.31258941 0.02278440 0.61323754 1\n C C2 1 0.33796679 0.70250742 0.79801108 1\n C C3 1 0.77666108 0.37818518 0.89921509 1\n C C4 1 0.13072650 0.60216223 0.64016239 1\n C C5 1 1.24161322 0.49452472 0.30879906 1\n C C6 1 0.45104061 -0.04759865 0.78684622 1\n C C7 1 0.38949724 0.26305543 0.56970103 1\n C C8 1 0.08994827 0.71256805 1.04680958 1\n C C9 1 1.09190554 0.51541427 0.14766627 1\n C C10 1 0.91353439 0.31958393 1.06675774 1\n C C11 1 0.01448168 0.35302110 0.64934760 1\n C C12 1 0.07138955 0.03934517 0.86498381 1\n C C13 1 1.15528040 0.28390005 0.82576768 1\n C C14 1 0.21753372 0.28312445 0.38856024 1\n C C15 1 0.21710552 -0.03208509 1.04708899 1\n C C16 1 0.70027557 0.93181164 0.54483768 1\n C C17 1 0.88712690 0.62650067 0.88589879 1\n C C18 1 0.02725341 0.06392243 0.30388446 1\n C C19 1 0.59121237 0.68593321 0.55844040 1\n C C20 1 0.41976514 0.68601877 0.38818012 1\n C C21 1 0.85209231 0.08259393 0.12195996 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47739000\n_cell_length_b 2.47718000\n_cell_length_c 6.30995000\n_cell_angle_alpha 78.65878000\n_cell_angle_beta 78.67099000\n_cell_angle_gamma 59.98817000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.65690447\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96962790 0.51172269 0.98370131 1\n C C1 1 0.11351554 0.64838634 0.56547968 1\n C C2 1 0.88837425 0.42827052 0.23132605 1\n C C3 1 0.75173976 0.28769974 0.64902758 1\n C C4 1 0.66485125 1.20602378 0.90000672 1\n C C5 1 0.19531069 0.73292393 0.31464696 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44669000\n_cell_length_b 4.57319000\n_cell_length_c 7.24881000\n_cell_angle_alpha 98.52169000\n_cell_angle_beta 59.56940000\n_cell_angle_gamma 105.57372000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.36014773\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06993554 0.46405949 1.01702038 1\n C C1 1 0.68677325 0.29247949 0.54948681 1\n C C2 1 -0.03093027 0.29390087 0.69445864 1\n C C3 1 0.18230581 0.84175468 0.40355830 1\n C C4 1 0.02389101 -0.15195795 0.84128415 1\n C C5 1 1.08856024 0.50808712 0.35360443 1\n C C6 1 0.70275208 0.98430490 0.43744564 1\n C C7 1 0.64717060 -0.01116498 0.80578078 1\n C C8 1 0.75105572 0.45489169 0.22748698 1\n C C9 1 0.78404442 0.51674080 0.89189640 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48447000\n_cell_length_b 4.67500000\n_cell_length_c 4.08619000\n_cell_angle_alpha 96.67069000\n_cell_angle_beta 89.95589000\n_cell_angle_gamma 105.36443000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.43230253\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30887528 0.52467211 0.99839578 1\n C C1 1 0.96645497 0.83778039 0.40458144 1\n C C2 1 0.69762350 0.29643898 0.46694869 1\n C C3 1 0.53901238 -0.01827011 0.28522300 1\n C C4 1 0.48034982 0.86551726 0.92965233 1\n C C5 1 0.19627503 0.29386094 0.69182947 1\n C C6 1 0.80802119 0.52300070 0.22429294 1\n C C7 1 1.02478252 -0.04791817 0.76039145 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.73893000\n_cell_length_b 4.80677000\n_cell_length_c 3.62206000\n_cell_angle_alpha 112.14983000\n_cell_angle_beta 89.58863000\n_cell_angle_gamma 94.61556000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.00964027\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45499632 0.29634602 0.18981257 1\n C C1 1 0.45423282 0.98745159 0.15335811 1\n C C2 1 0.45414905 0.98750905 0.53497614 1\n C C3 1 0.45457013 0.48697452 0.59404049 1\n C C4 1 0.45465902 0.79682309 0.74913019 1\n C C5 1 0.45508009 0.29628856 0.80819454 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48504000\n_cell_length_b 4.78083000\n_cell_length_c 4.68105000\n_cell_angle_alpha 76.26211000\n_cell_angle_beta 74.56468000\n_cell_angle_gamma 58.66190000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45430694\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49014786 0.37829248 0.44447605 1\n C C1 1 0.21740871 0.15215632 0.44242025 1\n C C2 1 0.45641523 0.08367201 0.10190659 1\n C C3 1 0.46709448 0.55831003 0.13074235 1\n C C4 1 0.15840247 0.43942479 0.98611897 1\n C C5 1 0.13472637 0.62000687 0.67251353 1\n C C6 1 0.16932968 0.91382556 1.01603904 1\n C C7 1 0.40742460 0.84627683 0.67496161 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.57125000\n_cell_length_b 4.85023000\n_cell_length_c 4.24292000\n_cell_angle_alpha 89.81873000\n_cell_angle_beta 75.72794000\n_cell_angle_gamma 109.79154000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.03357401\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92444602 0.60255855 -0.02841113 1\n C C1 1 0.06786629 0.13243267 0.95075636 1\n C C2 1 0.12741179 0.88602753 0.43638419 1\n C C3 1 0.96077758 0.60007955 0.29795812 1\n C C4 1 0.75949466 0.31662116 0.83228625 1\n C C5 1 0.00816149 0.85708698 0.79390853 1\n C C6 1 0.81949480 0.07003331 0.31723933 1\n C C7 1 0.87906627 0.34550176 0.47485976 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.16972000\n_cell_length_b 2.42966000\n_cell_length_c 5.71305000\n_cell_angle_alpha 99.34237000\n_cell_angle_beta 87.73567000\n_cell_angle_gamma 84.61389000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.15569866\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87716814 0.59805003 1.01135779 1\n C C1 1 0.21386902 0.93117787 0.67890732 1\n C C2 1 0.65336161 0.70856405 0.23268581 1\n C C3 1 0.54369113 0.26466641 0.34472062 1\n C C4 1 -0.01392222 0.04200365 -0.10068332 1\n C C5 1 0.32393481 0.37501478 0.56697318 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.15611000\n_cell_length_b 6.13296000\n_cell_length_c 7.99398000\n_cell_angle_alpha 52.23735000\n_cell_angle_beta 78.01446000\n_cell_angle_gamma 70.84591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 115.54883217\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52154041 0.41807519 0.60121289 1\n C C1 1 0.52703013 0.15013023 0.65418565 1\n C C2 1 0.69854503 0.66638252 0.89904839 1\n C C3 1 0.59523639 0.69820197 0.72529931 1\n C C4 1 0.75983042 0.92127699 0.01962322 1\n C C5 1 -0.21965554 0.66141241 0.23674856 1\n C C6 1 0.65389032 0.92318964 0.86271010 1\n C C7 1 0.97221446 0.16177018 0.12130030 1\n C C8 1 0.79530346 0.17503519 0.96591101 1\n C C9 1 -0.00841871 0.40741179 0.25061437 1\n C C10 1 0.63678098 0.43360990 0.75755898 1\n C C11 1 -0.12144679 0.42373770 1.08383355 1\n C C12 1 0.20870457 -0.03942115 0.31626242 1\n C C13 1 0.44864367 1.00544996 0.57119288 1\n C C14 1 0.48935142 0.67920684 0.38539146 1\n C C15 1 1.21763518 0.11904613 0.39416892 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43174000\n_cell_length_b 3.27238000\n_cell_length_c 7.58861000\n_cell_angle_alpha 72.48547000\n_cell_angle_beta 90.95659000\n_cell_angle_gamma 91.13826000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.57245125\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92875244 0.50830313 0.77429217 1\n C C1 1 0.42885069 0.34360146 0.35841352 1\n C C2 1 -0.07112701 -0.15622229 0.60847514 1\n C C3 1 0.92873679 0.50828182 0.27428087 1\n C C4 1 0.42872283 1.00786969 0.02412796 1\n C C5 1 0.42878498 1.00872021 0.52444588 1\n C C6 1 0.42883823 0.34321694 0.85827397 1\n C C7 1 0.92881505 0.84304112 0.10820758 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43109000\n_cell_length_b 4.23499000\n_cell_length_c 4.27850000\n_cell_angle_alpha 97.63301000\n_cell_angle_beta 81.84983000\n_cell_angle_gamma 98.01078000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.89126483\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07510522 0.25620185 0.54326507 1\n C C1 1 0.25829099 0.92148230 0.87510543 1\n C C2 1 0.47963269 0.36724951 0.43131151 1\n C C3 1 0.81293089 0.03334882 0.76414897 1\n C C4 1 0.14637462 0.69906907 0.09643584 1\n C C5 1 0.59169753 0.58808575 0.20839788 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45514000\n_cell_length_b 3.66162000\n_cell_length_c 6.41972000\n_cell_angle_alpha 76.95015000\n_cell_angle_beta 101.08129000\n_cell_angle_gamma 109.57155000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.54433714\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31631668 0.79444058 0.06612433 1\n C C1 1 0.68848406 0.62473567 -0.02144089 1\n C C2 1 0.45926270 0.21801726 0.92972735 1\n C C3 1 0.94704192 0.70705790 0.41081888 1\n C C4 1 0.66593020 0.82199550 0.73575668 1\n C C5 1 0.40941539 0.74099031 0.30305936 1\n C C6 1 0.03740914 0.65262863 0.64775394 1\n C C7 1 0.89158091 0.22900437 0.78379186 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43074000\n_cell_length_b 3.06746000\n_cell_length_c 5.91969000\n_cell_angle_alpha 95.06174000\n_cell_angle_beta 80.72195000\n_cell_angle_gamma 84.87967000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.15003826\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02379242 1.18712441 0.81572717 1\n C C1 1 0.19943166 0.74605193 0.37018122 1\n C C2 1 0.30955921 0.52055097 0.14899339 1\n C C3 1 0.64289249 0.85392487 0.48232747 1\n C C4 1 0.53274675 0.07925147 0.70358092 1\n C C5 1 0.86608003 0.41262537 1.03691500 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44069000\n_cell_length_b 4.19828000\n_cell_length_c 7.63966000\n_cell_angle_alpha 90.44512000\n_cell_angle_beta 108.68613000\n_cell_angle_gamma 89.94558000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 74.15259373\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16665791 0.19218044 0.83025727 1\n C C1 1 0.96094249 0.14554593 0.62534557 1\n C C2 1 0.67290637 0.70901298 0.33571692 1\n C C3 1 0.74290513 0.34508649 0.90634149 1\n C C4 1 0.37644213 1.06624271 0.54037445 1\n C C5 1 0.23327056 0.83827542 0.39723355 1\n C C6 1 0.70857832 0.68974936 0.87154234 1\n C C7 1 0.20004271 0.84706298 -0.13771449 1\n C C8 1 0.53372102 0.47830004 0.19412440 1\n C C9 1 -0.04943074 0.39621616 0.11047281 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47306000\n_cell_length_b 4.47157000\n_cell_length_c 4.24650000\n_cell_angle_alpha 111.36867000\n_cell_angle_beta 89.97117000\n_cell_angle_gamma 123.63090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.16340577\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83138790 0.50126948 0.07790115 1\n C C1 1 0.39673704 0.06637921 0.80029163 1\n C C2 1 0.28552313 0.45522274 0.57723360 1\n C C3 1 0.98827486 0.65815514 0.80014163 1\n C C4 1 0.44280298 0.61252885 0.29959587 1\n C C5 1 -0.12269741 0.04692479 0.57722902 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48193000\n_cell_length_b 3.68977000\n_cell_length_c 4.21693000\n_cell_angle_alpha 104.70642000\n_cell_angle_beta 90.01078000\n_cell_angle_gamma 109.64851000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02205565\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95542787 0.70933786 0.55915444 1\n C C1 1 0.17830679 0.15443722 0.76557234 1\n C C2 1 0.63367234 0.06958729 0.26210178 1\n C C3 1 0.43644461 0.67145935 0.33707983 1\n C C4 1 0.21190767 0.22602414 0.13092704 1\n C C5 1 0.75659661 0.31149714 0.63470978 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48122000\n_cell_length_b 3.68771000\n_cell_length_c 4.21776000\n_cell_angle_alpha 75.06100000\n_cell_angle_beta 89.88942000\n_cell_angle_gamma 70.39627000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97487760\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94508908 0.91084018 0.92420911 1\n C C1 1 0.42580104 -0.04923384 0.70165617 1\n C C2 1 0.20178335 0.39645428 0.49534665 1\n C C3 1 0.62353987 0.55283145 0.62633692 1\n C C4 1 0.16578360 0.46560981 0.13049482 1\n C C5 1 0.74430045 0.30828333 0.99992543 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43208000\n_cell_length_b 3.79499000\n_cell_length_c 8.40311000\n_cell_angle_alpha 48.34823000\n_cell_angle_beta 89.99727000\n_cell_angle_gamma 90.02280000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.95142313\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90145832 0.80681987 0.03177190 1\n C C1 1 0.90150397 0.80597260 0.53198556 1\n C C2 1 0.40153069 0.80597271 0.28198200 1\n C C3 1 0.90152434 0.80860003 0.36448994 1\n C C4 1 0.40150174 0.80858713 0.61448347 1\n C C5 1 0.40148092 -0.19316723 0.78177838 1\n C C6 1 0.40145197 0.80944719 0.11427985 1\n C C7 1 -0.09852131 -0.19055270 0.86427629 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47648000\n_cell_length_b 4.25729000\n_cell_length_c 5.94193000\n_cell_angle_alpha 110.92870000\n_cell_angle_beta 102.03715000\n_cell_angle_gamma 90.01307000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.03494594\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79072356 0.42917215 0.36655080 1\n C C1 1 0.12811236 0.76653251 0.04104966 1\n C C2 1 0.09235709 1.07347820 0.97025212 1\n C C3 1 -0.04064545 0.07344600 0.70389537 1\n C C4 1 0.33115374 0.29524178 0.44724546 1\n C C5 1 0.27158378 0.90714487 0.32579637 1\n C C6 1 0.82664407 0.80677014 0.43781515 1\n C C7 1 0.45915785 0.28886213 0.70370358 1\n C C8 1 0.58741920 0.55213077 0.95964299 1\n C C9 1 0.64686940 0.28584154 0.08144351 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.59310000\n_cell_length_b 4.78069000\n_cell_length_c 4.86251000\n_cell_angle_alpha 89.57291000\n_cell_angle_beta 112.72792000\n_cell_angle_gamma 109.70323000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.80041698\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35559320 0.03156345 0.37204362 1\n C C1 1 0.70892470 0.04256590 0.69417440 1\n C C2 1 0.43288790 0.89617994 0.87015923 1\n C C3 1 0.91074373 0.84753618 0.34957124 1\n C C4 1 0.92084092 0.33992526 0.32165585 1\n C C5 1 0.68492018 0.53565235 0.67929776 1\n C C6 1 0.62074602 1.01850593 0.19930244 1\n C C7 1 0.36116983 0.37613464 0.36351936 1\n C C8 1 0.65443967 0.52838872 0.19885866 1\n C C9 1 0.97060539 0.36310986 0.69753838 1\n C C10 1 0.44062817 0.55292504 0.87019037 1\n C C11 1 -0.04641551 -0.15171027 0.67076539 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47552000\n_cell_length_b 3.72092000\n_cell_length_c 4.24126000\n_cell_angle_alpha 64.16744000\n_cell_angle_beta 89.95894000\n_cell_angle_gamma 89.95422000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.16320110\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33237568 0.90282415 0.49450427 1\n C C1 1 0.33253502 0.31084601 0.49437256 1\n C C2 1 0.33254459 0.46811586 0.77240756 1\n C C3 1 0.83247632 0.35665112 0.99357215 1\n C C4 1 0.83251014 0.92180696 0.27149969 1\n C C5 1 0.83256775 0.51364939 0.27169998 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23220000\n_cell_length_b 3.26783000\n_cell_length_c 4.86255000\n_cell_angle_alpha 71.16376000\n_cell_angle_beta 66.91763000\n_cell_angle_gamma 55.03553000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.26758975\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39966921 0.84751939 0.87879996 1\n C C1 1 0.49760546 0.15320202 0.33478055 1\n C C2 1 0.00203792 -0.04566368 0.91099929 1\n C C3 1 -0.07966842 1.04908390 0.61866688 1\n C C4 1 0.09998222 0.25948218 0.36699508 1\n C C5 1 0.58006001 0.05669604 0.62703573 1\n C C6 1 0.84371912 0.64933600 0.16949377 1\n C C7 1 0.65584758 0.45837484 1.07638123 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43083000\n_cell_length_b 5.81328000\n_cell_length_c 4.87455000\n_cell_angle_alpha 53.34561000\n_cell_angle_beta 60.05491000\n_cell_angle_gamma 89.97592000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.27495187\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73808043 0.82408670 0.79288669 1\n C C1 1 0.95169721 0.68098205 0.07946553 1\n C C2 1 0.66286895 0.33134051 0.36830098 1\n C C3 1 1.02807939 0.17379743 0.50309964 1\n C C4 1 0.66143483 0.74089324 0.36914445 1\n C C5 1 0.02705869 0.76376657 0.50372180 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43076000\n_cell_length_b 4.20329000\n_cell_length_c 6.07121000\n_cell_angle_alpha 112.38028000\n_cell_angle_beta 96.92209000\n_cell_angle_gamma 89.79523000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.87975366\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96815958 0.73732539 0.61990166 1\n C C1 1 0.37838188 0.60830773 0.12015122 1\n C C2 1 0.46776747 0.56972977 0.61909207 1\n C C3 1 -0.03223692 0.06976655 0.61913628 1\n C C4 1 0.37879010 0.27594038 0.12100231 1\n C C5 1 0.87879450 0.77590359 0.12095810 1\n C C6 1 0.87839799 0.10834475 0.12019272 1\n C C7 1 0.46817569 0.23736241 0.61994316 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48501000\n_cell_length_b 4.59858000\n_cell_length_c 5.80064000\n_cell_angle_alpha 110.28816000\n_cell_angle_beta 102.35684000\n_cell_angle_gamma 105.69491000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.27170063\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24345339 0.63894190 0.81287700 1\n C C1 1 0.74113221 0.39560419 0.05175716 1\n C C2 1 0.82587979 0.98937680 0.62792435 1\n C C3 1 0.11665426 0.32008543 0.87744280 1\n C C4 1 1.00050713 0.77036106 0.19526199 1\n C C5 1 0.76371810 0.24975760 0.24190218 1\n C C6 1 0.50438430 0.87492826 0.09736459 1\n C C7 1 0.67790458 0.65497717 0.66494297 1\n C C8 1 0.26091547 0.00635902 0.48041883 1\n C C9 1 0.38737777 0.32466917 0.41599213 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48777000\n_cell_length_b 4.06189000\n_cell_length_c 4.69595000\n_cell_angle_alpha 106.02263000\n_cell_angle_beta 90.00214000\n_cell_angle_gamma 89.99896000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.60938986\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01481448 0.57909673 0.29107253 1\n C C1 1 -0.01491842 0.58692611 -0.05667648 1\n C C2 1 0.48531375 0.01432566 0.71397056 1\n C C3 1 0.98528124 0.23844476 0.70852651 1\n C C4 1 0.98514897 0.24620581 0.36074107 1\n C C5 1 0.48511629 1.04498475 0.24640623 1\n C C6 1 0.48525079 0.78015351 0.40546182 1\n C C7 1 0.48503705 0.81295685 0.93877547 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48091000\n_cell_length_b 3.68844000\n_cell_length_c 4.21640000\n_cell_angle_alpha 75.26456000\n_cell_angle_beta 89.93000000\n_cell_angle_gamma 70.38468000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99823809\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59168057 0.33204103 0.42692316 1\n C C1 1 0.01356540 0.48839242 0.55813599 1\n C C2 1 1.13154978 0.24689668 0.93073870 1\n C C3 1 0.81168253 0.88698858 0.63307578 1\n C C4 1 0.33084440 0.84916118 -0.14481371 1\n C C5 1 0.55276813 0.40416131 0.06150598 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.18523000\n_cell_length_b 4.18146000\n_cell_length_c 4.66359000\n_cell_angle_alpha 104.68791000\n_cell_angle_beta 89.01802000\n_cell_angle_gamma 77.59231000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.51192253\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02844603 0.38629737 0.17536480 1\n C C1 1 0.73304007 0.62439290 0.72953582 1\n C C2 1 0.73978231 0.62079920 0.04049120 1\n C C3 1 0.41914671 0.93611251 0.72464410 1\n C C4 1 0.28836003 1.07022841 0.49117907 1\n C C5 1 0.26587419 0.09864454 0.01483908 1\n C C6 1 0.45272314 -0.08825613 0.20222418 1\n C C7 1 -0.02589293 0.38129939 0.48548545 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46411000\n_cell_length_b 3.39172000\n_cell_length_c 5.28226000\n_cell_angle_alpha 86.91349000\n_cell_angle_beta 89.98456000\n_cell_angle_gamma 68.71934000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.06817036\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41017612 0.87479887 0.03536713 1\n C C1 1 0.92740567 -0.15883989 0.16200489 1\n C C2 1 -0.21860172 0.13220862 0.63504446 1\n C C3 1 0.96083497 0.77156366 0.43697725 1\n C C4 1 0.55367042 0.58497042 0.56348020 1\n C C5 1 0.37487475 0.94475992 0.76016927 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42100000\n_cell_length_b 3.42576000\n_cell_length_c 4.88927000\n_cell_angle_alpha 70.22038000\n_cell_angle_beta 69.41181000\n_cell_angle_gamma 90.29795000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.97137225\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15107177 0.70483592 0.81371608 1\n C C1 1 0.91924819 0.44732730 0.47610789 1\n C C2 1 0.83265553 -0.11252153 0.97283024 1\n C C3 1 0.72571344 0.80664525 0.31010894 1\n C C4 1 0.25912018 0.78727118 0.47606529 1\n C C5 1 0.06590139 1.14617400 0.30987578 1\n C C6 1 0.66299802 0.21698694 0.81282060 1\n C C7 1 0.32088948 0.37522114 -0.02667013 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50335000\n_cell_length_b 3.29926000\n_cell_length_c 7.10711000\n_cell_angle_alpha 66.16390000\n_cell_angle_beta 89.07813000\n_cell_angle_gamma 67.76696000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.04726275\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05195508 0.49045135 0.14297438 1\n C C1 1 0.78820989 0.82264265 0.81205794 1\n C C2 1 0.04690682 0.30642184 0.96936849 1\n C C3 1 0.40484260 0.54513744 0.44687474 1\n C C4 1 0.76635712 0.82878680 0.44708785 1\n C C5 1 0.68678577 0.02292714 0.96951518 1\n C C6 1 0.66225619 0.03008046 0.60440936 1\n C C7 1 0.50716089 0.35969892 0.27355646 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42605000\n_cell_length_b 4.87039000\n_cell_length_c 8.43673000\n_cell_angle_alpha 89.52685000\n_cell_angle_beta 89.99165000\n_cell_angle_gamma 119.91548000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.40073843\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32154402 0.49686779 0.66244175 1\n C C1 1 0.26264601 -0.07024871 0.87981718 1\n C C2 1 0.66529404 0.34106441 0.67623530 1\n C C3 1 0.32074821 -0.00748505 0.70578577 1\n C C4 1 0.31761007 0.98066825 0.20547887 1\n C C5 1 0.32439127 0.48474643 0.16142566 1\n C C6 1 0.66771568 0.32845687 0.17422556 1\n C C7 1 0.67355350 0.84532050 0.63225452 1\n C C8 1 0.73313090 0.90087541 0.45787612 1\n C C9 1 0.67054500 0.83328658 0.13140030 1\n C C10 1 0.25970203 0.92612507 0.37984954 1\n C C11 1 0.73134156 0.89821058 0.95770133 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38941000\n_cell_length_b 4.77769000\n_cell_length_c 7.44888000\n_cell_angle_alpha 97.44840000\n_cell_angle_beta 104.42701000\n_cell_angle_gamma 76.44090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 113.23868711\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55242661 0.82183112 0.75500987 1\n C C1 1 0.53216468 0.33815067 0.95725038 1\n C C2 1 0.20433676 0.16504024 -0.04461557 1\n C C3 1 -0.27561028 1.03896087 0.67588032 1\n C C4 1 0.80931158 -0.06401418 0.12175154 1\n C C5 1 0.27014312 0.62451091 -0.03726043 1\n C C6 1 1.04968826 0.51276334 0.58609696 1\n C C7 1 0.45882444 0.87518587 -0.05216606 1\n C C8 1 0.92670228 0.21814335 0.09525381 1\n C C9 1 1.06184302 0.42548321 0.24901791 1\n C C10 1 0.48380855 0.28972084 0.36675338 1\n C C11 1 0.14805268 0.95064856 0.44346364 1\n C C12 1 0.36067875 0.21169317 0.53198186 1\n C C13 1 0.13619874 0.81932091 0.61127176 1\n C C14 1 0.15104704 0.68096015 0.15453850 1\n C C15 1 0.75363034 0.50915344 0.39258561 1\n C C16 1 0.45971337 0.78221511 0.32750749 1\n C C17 1 0.70469886 -0.00269568 0.30641375 1\n C C18 1 0.89105226 0.54997107 0.76709573 1\n C C19 1 0.81758295 1.27302896 0.81601874 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46356000\n_cell_length_b 5.46409000\n_cell_length_c 6.38983000\n_cell_angle_alpha 70.27270000\n_cell_angle_beta 78.87833000\n_cell_angle_gamma 63.19168000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.17916140\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06832547 1.15605553 -0.01298846 1\n C C1 1 0.60127790 0.74830188 0.46460338 1\n C C2 1 1.05953694 0.26614318 0.50903121 1\n C C3 1 0.97784731 0.68488733 0.83043333 1\n C C4 1 0.47353511 0.51172053 0.19133121 1\n C C5 1 0.79713178 0.17388531 0.22026702 1\n C C6 1 -0.12540999 0.54831119 0.31686614 1\n C C7 1 0.49130520 1.15244358 0.87800400 1\n C C8 1 1.13172580 0.64644167 0.60551763 1\n C C9 1 0.33511249 0.06640879 0.35912974 1\n C C10 1 0.46649099 0.29565747 0.63669034 1\n C C11 1 0.48011733 0.62766404 0.94416927 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44685000\n_cell_length_b 6.45278000\n_cell_length_c 8.12995000\n_cell_angle_alpha 113.49780000\n_cell_angle_beta 104.94460000\n_cell_angle_gamma 100.95656000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 107.34396771\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15071176 0.30183275 0.28538290 1\n C C1 1 -0.04293888 0.93321966 0.69746347 1\n C C2 1 0.23186981 0.51533165 0.25545073 1\n C C3 1 0.28334830 0.59891583 0.68775031 1\n C C4 1 0.51231890 -0.01305872 0.30702281 1\n C C5 1 -0.15776770 0.65561358 0.30161045 1\n C C6 1 0.36023606 0.30689589 -0.05777901 1\n C C7 1 0.71822791 0.48304639 0.67920992 1\n C C8 1 0.60157524 0.25995372 0.66908914 1\n C C9 1 1.10503779 0.17859841 0.72093644 1\n C C10 1 0.60326024 0.19622853 0.28960713 1\n C C11 1 0.95717017 0.87475881 0.30795322 1\n C C12 1 0.40305106 0.82498656 0.69742062 1\n C C13 1 0.96823364 0.36536193 0.03391976 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42631000\n_cell_length_b 4.15205000\n_cell_length_c 6.25454000\n_cell_angle_alpha 69.79916000\n_cell_angle_beta 101.18725000\n_cell_angle_gamma 89.93532000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.85074813\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13862790 0.80957523 0.89714699 1\n C C1 1 0.16275010 0.43518656 0.94221850 1\n C C2 1 0.01572547 1.04880352 0.65058735 1\n C C3 1 0.36852785 0.50914862 0.35951953 1\n C C4 1 0.81917901 0.65390620 0.26092107 1\n C C5 1 0.46601616 0.19386462 0.55173646 1\n C C6 1 0.69819188 -0.10782349 0.01513157 1\n C C7 1 0.67826513 0.26474534 0.97340362 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51129000\n_cell_length_b 4.29087000\n_cell_length_c 5.06055000\n_cell_angle_alpha 79.63393000\n_cell_angle_beta 68.98882000\n_cell_angle_gamma 64.76053000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.02150884\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31698446 0.16878899 0.36704144 1\n C C1 1 0.61689661 0.40966437 0.37123626 1\n C C2 1 0.75859850 0.61329284 0.11093919 1\n C C3 1 0.15210586 0.65688411 0.60891168 1\n C C4 1 0.60591020 -0.01729976 0.08304300 1\n C C5 1 0.16400326 1.08333087 -0.10269477 1\n C C6 1 0.01333243 0.45239196 0.86760950 1\n C C7 1 0.45110460 0.89761471 0.61397229 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53503000\n_cell_length_b 2.47939000\n_cell_length_c 6.24133000\n_cell_angle_alpha 101.51537000\n_cell_angle_beta 112.85279000\n_cell_angle_gamma 90.05728000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.28770841\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08137714 0.60765724 0.22280029 1\n C C1 1 0.28597280 0.95451989 0.91929810 1\n C C2 1 0.13767994 0.37621392 0.76460876 1\n C C3 1 0.93838623 0.03686134 0.08047990 1\n C C4 1 0.34193765 0.72292208 0.46067811 1\n C C5 1 0.48556264 0.29415712 0.60370323 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53097000\n_cell_length_b 4.15989000\n_cell_length_c 4.78702000\n_cell_angle_alpha 89.97886000\n_cell_angle_beta 74.84509000\n_cell_angle_gamma 89.93055000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.64757734\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04956133 -0.00396389 0.81115166 1\n C C1 1 0.91939290 0.82864250 1.06794490 1\n C C2 1 -0.08077146 0.49604269 0.06798504 1\n C C3 1 0.04993334 0.32864786 0.81120099 1\n C C4 1 0.19422720 0.84718729 0.52157361 1\n C C5 1 0.19431511 0.47729851 0.52159755 1\n C C6 1 0.77497296 -0.02270349 0.35753158 1\n C C7 1 0.77494312 0.34716993 0.35749349 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27086000\n_cell_length_b 3.27404000\n_cell_length_c 4.23799000\n_cell_angle_alpha 55.99193000\n_cell_angle_beta 95.21683000\n_cell_angle_gamma 80.85660000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.23624321\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28600942 0.69634424 0.08607455 1\n C C1 1 0.92486130 0.05680155 1.08630452 1\n C C2 1 0.49931104 0.14611273 0.84894445 1\n C C3 1 0.13908126 0.50692552 0.84933600 1\n C C4 1 0.55337478 0.26018622 0.46749660 1\n C C5 1 0.87008960 0.94286674 0.46778398 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48095000\n_cell_length_b 4.83905000\n_cell_length_c 3.68808000\n_cell_angle_alpha 111.45722000\n_cell_angle_beta 109.64550000\n_cell_angle_gamma 104.85425000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98663842\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27536428 0.92050330 0.43845211 1\n C C1 1 0.25090573 0.21816424 0.09388186 1\n C C2 1 -0.04006012 0.34892355 0.38162341 1\n C C3 1 0.97626683 0.14228576 0.62070003 1\n C C4 1 0.29142734 0.71391807 0.67798704 1\n C C5 1 1.00029105 0.84489089 0.96555626 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48445000\n_cell_length_b 4.77591000\n_cell_length_c 4.99535000\n_cell_angle_alpha 83.44052000\n_cell_angle_beta 90.00174000\n_cell_angle_gamma 105.10555000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.82242242\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10118290 0.86123030 -0.02258465 1\n C C1 1 0.73351162 0.13111418 0.58445789 1\n C C2 1 -0.56253811 0.53518042 0.35514059 1\n C C3 1 0.45787645 0.57769496 0.65183202 1\n C C4 1 -0.13040957 0.40147132 0.73848149 1\n C C5 1 0.23851319 0.14248756 0.11459058 1\n C C6 1 0.82670574 0.31845863 1.02780254 1\n C C7 1 0.96379430 0.58932116 0.18342168 1\n C C8 1 0.26115227 0.18506791 0.41183325 1\n C C9 1 0.59978731 0.85827956 0.79060673 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48429000\n_cell_length_b 4.08633000\n_cell_length_c 4.67817000\n_cell_angle_alpha 83.32081000\n_cell_angle_beta 74.56347000\n_cell_angle_gamma 89.99470000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44351670\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70748332 0.86374859 0.68358764 1\n C C1 1 0.97634591 0.80216552 0.14236274 1\n C C2 1 0.54913231 0.68303727 -0.00216506 1\n C C3 1 1.03652387 0.15805481 0.02582996 1\n C C4 1 0.49280490 0.32755896 0.11194089 1\n C C5 1 0.81895915 0.62129891 0.45636157 1\n C C6 1 0.20669163 0.08853820 0.68543346 1\n C C7 1 0.32056400 0.39491205 0.45367120 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36323000\n_cell_length_b 3.42840000\n_cell_length_c 4.27434000\n_cell_angle_alpha 103.33392000\n_cell_angle_beta 102.58872000\n_cell_angle_gamma 64.99259000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.05348095\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04225104 0.30487450 0.02242741 1\n C C1 1 0.48388515 0.36224355 0.51989866 1\n C C2 1 0.64243607 0.51934993 0.83203237 1\n C C3 1 0.69918509 0.96182877 0.32930444 1\n C C4 1 0.08418186 0.57675954 0.32918650 1\n C C5 1 0.42731810 -0.08013799 0.02240092 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48077000\n_cell_length_b 3.68826000\n_cell_length_c 4.21570000\n_cell_angle_alpha 104.76621000\n_cell_angle_beta 89.96032000\n_cell_angle_gamma 109.61720000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98078588\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46085204 0.69551914 0.20377405 1\n C C1 1 0.34123371 0.45356795 0.83101251 1\n C C2 1 0.88220452 0.53825913 0.33461415 1\n C C3 1 0.65935693 0.09320276 0.12851708 1\n C C4 1 -0.08089601 0.60977380 0.69968149 1\n C C5 1 0.13976901 0.05502282 0.90610241 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42913000\n_cell_length_b 3.05343000\n_cell_length_c 6.01958000\n_cell_angle_alpha 83.28290000\n_cell_angle_beta 84.34663000\n_cell_angle_gamma 102.09206000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.00870839\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77457261 0.78742633 0.99536901 1\n C C1 1 0.55126443 0.34396611 0.44076816 1\n C C2 1 0.44112663 0.12047581 0.66193183 1\n C C3 1 -0.11539590 1.01101302 0.77424190 1\n C C4 1 1.10783834 0.45367300 0.32853591 1\n C C5 1 0.21803178 -0.32228627 0.10754140 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43859000\n_cell_length_b 3.43824000\n_cell_length_c 5.83102000\n_cell_angle_alpha 81.03774000\n_cell_angle_beta 80.98774000\n_cell_angle_gamma 87.61356000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.24556729\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62117657 0.69652306 0.86976155 1\n C C1 1 0.81510578 0.24982059 0.33223891 1\n C C2 1 0.80976124 0.88690592 0.03023910 1\n C C3 1 0.09835000 0.17526173 0.87621335 1\n C C4 1 0.39924562 0.97667097 0.71396715 1\n C C5 1 0.33164618 0.40935140 0.02374622 1\n C C6 1 0.25761306 0.69139665 0.56769249 1\n C C7 1 0.17260537 -0.10647308 0.33228047 1\n C C8 1 0.90165925 0.47422434 0.71376313 1\n C C9 1 0.61551638 0.33415813 0.56788037 1\n C C10 1 1.03161001 0.60687340 0.18618813 1\n C C11 1 0.52920144 0.10939598 0.18606255 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.76307000\n_cell_length_b 3.63328000\n_cell_length_c 3.60199000\n_cell_angle_alpha 109.70559000\n_cell_angle_beta 98.15539000\n_cell_angle_gamma 99.21285000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.73749733\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58339013 0.54109748 0.32553747 1\n C C1 1 -0.10759923 0.19530650 0.63395176 1\n C C2 1 0.08499773 0.60052112 0.82413761 1\n C C3 1 0.58328802 0.16120602 0.32549410 1\n C C4 1 0.89192986 0.81496438 0.63348225 1\n C C5 1 0.39047959 0.75593109 0.13506362 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50299000\n_cell_length_b 6.41685000\n_cell_length_c 6.96441000\n_cell_angle_alpha 84.53509000\n_cell_angle_beta 79.44142000\n_cell_angle_gamma 89.96640000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 109.44752112\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80530851 0.23997802 0.21482539 1\n C C1 1 0.58972769 0.81700086 0.65585434 1\n C C2 1 0.42849688 0.67195071 0.97229344 1\n C C3 1 0.24101454 0.76218315 0.35603997 1\n C C4 1 1.07693657 0.68588631 0.68050274 1\n C C5 1 0.48045647 0.90085575 0.86186801 1\n C C6 1 0.63006869 0.23373603 0.57033845 1\n C C7 1 0.16385845 0.57359726 0.51166964 1\n C C8 1 0.97187744 0.35306790 0.87041097 1\n C C9 1 0.68387602 0.45678630 0.47319632 1\n C C10 1 0.70903430 0.88292067 0.41994247 1\n C C11 1 0.97082727 0.02833613 0.87845364 1\n C C12 1 0.79302172 0.47040199 0.24982779 1\n C C13 1 0.97322059 0.57973527 0.88030515 1\n C C14 1 0.32269141 0.60824632 0.18951145 1\n C C15 1 0.72069028 0.11315424 0.39078948 1\n C C16 1 0.89664547 0.19693924 1.02003553 1\n C C17 1 0.05863769 0.21052386 0.70517592 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50988000\n_cell_length_b 5.52554000\n_cell_length_c 6.11838000\n_cell_angle_alpha 94.05206000\n_cell_angle_beta 90.66876000\n_cell_angle_gamma 72.12268000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.54903132\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32050214 0.15600175 0.79141134 1\n C C1 1 0.92414423 0.88632228 0.49887534 1\n C C2 1 0.11663614 0.61595020 0.07966116 1\n C C3 1 0.94409363 0.85330114 0.24762249 1\n C C4 1 0.97543880 0.29209940 0.44944110 1\n C C5 1 0.74570862 0.31989624 0.82852399 1\n C C6 1 0.31380209 0.05424028 0.55724061 1\n C C7 1 0.69144112 0.49122887 0.62867404 1\n C C8 1 0.02637089 0.77762310 0.87985221 1\n C C9 1 -0.00203767 0.26461371 0.23340000 1\n C C10 1 0.08018327 0.65772294 0.64724706 1\n C C11 1 1.42524417 0.93576064 0.92389107 1\n C C12 1 0.34183204 0.99453593 0.16566496 1\n C C13 1 0.72520293 0.45080563 0.06474022 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47565000\n_cell_length_b 3.72250000\n_cell_length_c 4.91862000\n_cell_angle_alpha 67.74633000\n_cell_angle_beta 59.75970000\n_cell_angle_gamma 89.98896000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.19901626\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60701960 0.20208894 0.75908069 1\n C C1 1 0.32848368 0.35939447 0.03690847 1\n C C2 1 0.60741438 0.24845751 0.25817986 1\n C C3 1 0.32942415 0.40566226 0.53607886 1\n C C4 1 0.32864715 0.81349233 0.53627580 1\n C C5 1 0.60664174 0.79432449 0.75883782 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.19172000\n_cell_length_b 3.93161000\n_cell_length_c 4.85604000\n_cell_angle_alpha 74.72332000\n_cell_angle_beta 70.62648000\n_cell_angle_gamma 85.23310000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.82849916\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58637875 0.42927959 0.61480546 1\n C C1 1 0.61967684 0.46960192 0.09705183 1\n C C2 1 0.47268220 0.32031648 0.92979658 1\n C C3 1 0.98986629 0.83299133 0.17279447 1\n C C4 1 0.23150382 0.07649944 0.44140549 1\n C C5 1 0.99088060 0.83137234 0.65413295 1\n C C6 1 0.47363125 0.31887138 0.41117911 1\n C C7 1 0.23165774 0.07556623 0.14260404 1\n C C8 1 0.84413187 0.68194243 0.48686911 1\n C C9 1 0.87762785 0.72212476 -0.03090165 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48101000\n_cell_length_b 3.68891000\n_cell_length_c 4.89829000\n_cell_angle_alpha 66.81954000\n_cell_angle_beta 59.56462000\n_cell_angle_gamma 70.30216000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99219740\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47831336 0.86811217 0.57067486 1\n C C1 1 0.76990971 1.02530272 0.70102263 1\n C C2 1 0.45472969 0.51178881 0.27261307 1\n C C3 1 0.43825706 -0.04207860 0.06567985 1\n C C4 1 0.75329084 0.47131249 0.49430696 1\n C C5 1 0.72859224 0.11438281 1.19673033 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.28899000\n_cell_length_b 3.28469000\n_cell_length_c 6.07731000\n_cell_angle_alpha 62.50847000\n_cell_angle_beta 45.07449000\n_cell_angle_gamma 49.17888000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.87377848\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22696548 0.66741564 1.01916506 1\n C C1 1 0.86494293 0.66742676 0.01915962 1\n C C2 1 0.40649729 0.66740327 0.33966436 1\n C C3 1 1.04438672 0.66744938 0.33966972 1\n C C4 1 0.31392892 0.12835399 -0.16032237 1\n C C5 1 0.49650768 0.12832025 0.51917297 1\n C C6 1 0.67595146 0.12834287 0.83968307 1\n C C7 1 0.13439710 0.12836636 0.51917833 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43093000\n_cell_length_b 3.11233000\n_cell_length_c 6.29808000\n_cell_angle_alpha 101.92936000\n_cell_angle_beta 90.43310000\n_cell_angle_gamma 112.08082000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.01035240\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34290743 0.58857456 0.81322181 1\n C C1 1 1.00998563 -0.07739213 0.14635482 1\n C C2 1 0.89945125 0.70297385 0.92408004 1\n C C3 1 0.67611440 0.25458265 0.48024985 1\n C C4 1 0.56607262 0.03609695 0.25792900 1\n C C5 1 0.23253967 0.36890473 0.59097977 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48020000\n_cell_length_b 4.24182000\n_cell_length_c 5.62735000\n_cell_angle_alpha 97.83767000\n_cell_angle_beta 77.25122000\n_cell_angle_gamma 90.00620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.17639043\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20438892 0.72950531 0.77432949 1\n C C1 1 0.33531360 0.55415841 0.51203576 1\n C C2 1 0.83478494 0.33294877 0.51300496 1\n C C3 1 0.65994214 0.91618815 0.86249381 1\n C C4 1 0.15092028 0.41848255 0.87957510 1\n C C5 1 0.51011434 0.97087856 0.16471389 1\n C C6 1 0.96610943 0.15716056 0.25148398 1\n C C7 1 1.01987804 0.46828328 0.14542314 1\n C C8 1 0.70310118 0.24126901 0.77668539 1\n C C9 1 0.46732294 0.64508719 0.24871148 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.55146000\n_cell_length_b 4.52497000\n_cell_length_c 3.92489000\n_cell_angle_alpha 100.38952000\n_cell_angle_beta 98.03442000\n_cell_angle_gamma 128.07709000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.20822070\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96561090 0.73332768 0.12080348 1\n C C1 1 -0.05864020 0.75702570 0.49389216 1\n C C2 1 0.60902406 0.73523054 0.56412714 1\n C C3 1 0.95844681 0.38086131 1.07218743 1\n C C4 1 0.34778493 0.08759973 0.74917377 1\n C C5 1 0.74207166 0.30432312 0.37637929 1\n C C6 1 0.68048542 0.11029683 0.67952978 1\n C C7 1 0.33103538 0.46491135 0.17140272 1\n C C8 1 0.54746900 0.54084206 0.86712270 1\n C C9 1 0.32395135 0.11205849 0.12287232 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.50342000\n_cell_length_b 4.65793000\n_cell_length_c 4.68190000\n_cell_angle_alpha 103.80812000\n_cell_angle_beta 100.37749000\n_cell_angle_gamma 121.61060000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.72528714\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94577964 0.56080533 0.14763312 1\n C C1 1 0.94561779 1.00571346 0.91081359 1\n C C2 1 0.94478872 0.53335863 0.62500184 1\n C C3 1 -0.05471126 0.24519232 0.46469404 1\n C C4 1 0.94727386 0.72340414 0.43886874 1\n C C5 1 0.94552483 0.25043706 0.15285767 1\n C C6 1 -0.05250155 0.01190395 0.59990479 1\n C C7 1 -0.05410432 0.69557151 -0.08384659 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51388000\n_cell_length_b 4.79184000\n_cell_length_c 5.04312000\n_cell_angle_alpha 87.37651000\n_cell_angle_beta 92.05102000\n_cell_angle_gamma 72.15441000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.68711008\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05339945 0.22834611 0.90830366 1\n C C1 1 0.54506937 1.05113647 0.99029265 1\n C C2 1 0.17704359 0.75469365 0.66637245 1\n C C3 1 0.64195637 0.93487602 0.28486384 1\n C C4 1 0.67269344 0.77310195 0.83402841 1\n C C5 1 0.88864499 0.28725401 0.59626466 1\n C C6 1 0.96394862 0.60529576 0.26112903 1\n C C7 1 0.26056222 0.47090021 0.52207929 1\n C C8 1 0.85184557 0.51711944 0.02576603 1\n C C9 1 1.08402308 0.99984888 0.45158368 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46001000\n_cell_length_b 3.39728000\n_cell_length_c 6.01879000\n_cell_angle_alpha 109.20085000\n_cell_angle_beta 101.77856000\n_cell_angle_gamma 111.27756000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.16577609\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92501482 0.63052259 0.80579675 1\n C C1 1 0.78138267 -0.05823560 0.20825796 1\n C C2 1 0.67967843 0.41698319 0.52983771 1\n C C3 1 0.30955646 0.87327645 0.33478984 1\n C C4 1 0.53871333 0.73157502 0.93239786 1\n C C5 1 0.14917320 0.48377854 0.40283880 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55779000\n_cell_length_b 4.60825000\n_cell_length_c 4.57680000\n_cell_angle_alpha 103.89403000\n_cell_angle_beta 90.05113000\n_cell_angle_gamma 106.25161000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.14115434\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05520486 0.19133316 1.00307971 1\n C C1 1 0.63097648 0.34087513 -0.09864920 1\n C C2 1 0.79794519 0.67326117 0.04840185 1\n C C3 1 1.05306991 0.18750401 0.36473286 1\n C C4 1 0.80785613 0.69288174 0.56582873 1\n C C5 1 0.63286726 0.34528650 0.53913060 1\n C C6 1 -0.10994748 0.85892176 0.85709598 1\n C C7 1 -0.11970025 0.83986774 0.33963318 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48275000\n_cell_length_b 3.84388000\n_cell_length_c 3.74800000\n_cell_angle_alpha 89.98366000\n_cell_angle_beta 89.99447000\n_cell_angle_gamma 90.02784000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.76863138\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64313843 0.43502557 0.36842433 1\n C C1 1 0.64338709 0.02481161 0.36828749 1\n C C2 1 0.14342113 0.02492662 0.13264742 1\n C C3 1 0.14323116 0.72990272 0.86486739 1\n C C4 1 0.14317095 0.43514448 0.13280581 1\n C C5 1 0.64324054 0.72979860 0.63620856 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52789000\n_cell_length_b 5.40117000\n_cell_length_c 4.71070000\n_cell_angle_alpha 118.96176000\n_cell_angle_beta 101.77517000\n_cell_angle_gamma 111.04106000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.55895760\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51843057 0.98336432 0.61393056 1\n C C1 1 -0.28835709 0.51851289 -0.05131481 1\n C C2 1 0.03875003 0.22192957 0.32015108 1\n C C3 1 0.96137535 0.71085541 0.81941975 1\n C C4 1 0.64349691 0.92656812 -0.08433240 1\n C C5 1 0.16323724 0.16533986 0.62247967 1\n C C6 1 0.72083359 0.43747433 0.41642869 1\n C C7 1 0.97044191 0.63034349 0.28720295 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47644000\n_cell_length_b 4.53470000\n_cell_length_c 8.01427000\n_cell_angle_alpha 127.64525000\n_cell_angle_beta 89.67657000\n_cell_angle_gamma 77.75516000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.57013805\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16418373 0.29028819 0.92592753 1\n C C1 1 0.90802882 0.54998753 0.16704799 1\n C C2 1 0.43523642 0.71393960 0.46750876 1\n C C3 1 0.05399536 0.52142538 0.63969307 1\n C C4 1 0.66715526 0.27168781 0.32638208 1\n C C5 1 0.83478470 0.14731831 0.10664575 1\n C C6 1 0.88314149 0.83910546 0.60464769 1\n C C7 1 0.38525226 0.98384350 0.96320965 1\n C C8 1 0.68409760 0.26128314 0.80736631 1\n C C9 1 0.34084200 0.76911502 0.30125426 1\n C C10 1 0.55145784 0.55852871 0.76206439 1\n C C11 1 0.19124401 0.18424535 0.39657401 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47632000\n_cell_length_b 6.17951000\n_cell_length_c 7.55988000\n_cell_angle_alpha 103.36496000\n_cell_angle_beta 70.93557000\n_cell_angle_gamma 101.58175000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 105.38672708\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80424666 0.29311895 0.15021628 1\n C C1 1 0.55390433 0.04801464 0.78020272 1\n C C2 1 0.58616939 0.86751825 0.15903591 1\n C C3 1 0.37608240 0.84785199 0.35896449 1\n C C4 1 0.20565745 0.38529224 0.79805080 1\n C C5 1 0.77494233 0.78715642 0.43011099 1\n C C6 1 0.60443623 0.63945045 1.02787279 1\n C C7 1 0.83850578 0.71046925 0.82763770 1\n C C8 1 1.09846404 0.45762628 0.44009940 1\n C C9 1 -0.05917483 0.95820452 0.84923821 1\n C C10 1 0.57642911 0.57494386 0.52067072 1\n C C11 1 0.37986403 0.60428988 0.73242786 1\n C C12 1 0.03548692 0.48428653 0.01825502 1\n C C13 1 0.68552234 0.25871868 0.75511312 1\n C C14 1 0.21043295 0.33614755 0.26618046 1\n C C15 1 0.77407995 1.04601940 0.05971092 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.97735000\n_cell_length_b 3.82949000\n_cell_length_c 4.21125000\n_cell_angle_alpha 70.23926000\n_cell_angle_beta 70.86671000\n_cell_angle_gamma 76.86536000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.53960375\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35156247 -0.01450357 0.74057112 1\n C C1 1 0.84812983 0.48200303 0.40906627 1\n C C2 1 0.85157355 0.48547416 0.74057307 1\n C C3 1 0.60270447 0.73748237 0.23959667 1\n C C4 1 0.09931965 0.23375617 0.90815965 1\n C C5 1 0.34816068 0.98197843 0.40904925 1\n C C6 1 0.59931431 0.73376062 0.90817750 1\n C C7 1 1.10271865 1.23747510 0.23958557 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32386000\n_cell_length_b 3.32337000\n_cell_length_c 4.33551000\n_cell_angle_alpha 89.60328000\n_cell_angle_beta 89.57560000\n_cell_angle_gamma 83.49633000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.58144878\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22756837 -0.11355971 0.25716287 1\n C C1 1 0.47759416 0.13807886 0.77348374 1\n C C2 1 0.49988214 0.15982748 0.42406611 1\n C C3 1 0.75299044 0.40862110 -0.05933959 1\n C C4 1 0.87365560 0.23944414 0.25721546 1\n C C5 1 0.14854507 0.51250700 0.42423071 1\n C C6 1 0.12690870 0.48840141 0.77389684 1\n C C7 1 0.39864743 0.76435292 0.94074167 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37456000\n_cell_length_b 4.16422000\n_cell_length_c 6.11518000\n_cell_angle_alpha 115.47903000\n_cell_angle_beta 105.58508000\n_cell_angle_gamma 79.48719000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.50182328\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26430595 1.15892479 0.84112960 1\n C C1 1 0.60636753 0.04113350 1.00338928 1\n C C2 1 0.52362948 0.04082058 0.24478797 1\n C C3 1 0.17478040 1.01269706 0.59557255 1\n C C4 1 0.81866659 0.70117068 0.86591551 1\n C C5 1 1.15883968 0.32378179 0.32961638 1\n C C6 1 0.47109587 0.67134002 0.21725457 1\n C C7 1 0.72952665 0.55556490 0.62051654 1\n C C8 1 0.08448837 0.49733494 0.00239872 1\n C C9 1 -0.16507559 0.38756767 0.13130515 1\n C C10 1 0.90956817 0.21637824 0.45930794 1\n C C11 1 0.38622840 0.67123963 0.45797498 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.87085000\n_cell_length_b 3.63402000\n_cell_length_c 4.81780000\n_cell_angle_alpha 67.88516000\n_cell_angle_beta 84.45834000\n_cell_angle_gamma 105.92413000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.63679423\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46502697 0.85373595 0.27285892 1\n C C1 1 0.45820021 0.79093336 0.77350230 1\n C C2 1 0.46869709 0.06819572 0.46336748 1\n C C3 1 0.45836928 0.41072735 0.77289000 1\n C C4 1 0.46122212 1.00470928 0.96451681 1\n C C5 1 0.46803282 0.44787903 0.46453999 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48783000\n_cell_length_b 3.51767000\n_cell_length_c 4.30431000\n_cell_angle_alpha 114.12001000\n_cell_angle_beta 106.79390000\n_cell_angle_gamma 89.98132000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61330168\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23092931 0.92686120 0.21134506 1\n C C1 1 0.39789716 0.34408597 0.54492091 1\n C C2 1 0.56426264 0.26019453 0.87801172 1\n C C3 1 0.73123049 0.67741930 0.21158758 1\n C C4 1 0.06456382 0.01075264 0.87825424 1\n C C5 1 -0.10240402 0.59352786 0.54467839 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34641000\n_cell_length_b 4.37339000\n_cell_length_c 4.32128000\n_cell_angle_alpha 83.08336000\n_cell_angle_beta 106.07805000\n_cell_angle_gamma 106.87320000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.09759993\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73212506 0.89606175 0.56531223 1\n C C1 1 0.35826001 0.70935980 0.37915379 1\n C C2 1 0.86189958 0.18702044 0.40426616 1\n C C3 1 0.54531738 0.18227548 0.09342189 1\n C C4 1 0.54429914 0.42386155 0.85170519 1\n C C5 1 0.22850009 0.41842311 0.53984114 1\n C C6 1 0.86160252 0.73517667 0.85633521 1\n C C7 1 0.22879942 0.86975391 0.08805600 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48066000\n_cell_length_b 3.68950000\n_cell_length_c 4.21476000\n_cell_angle_alpha 104.70579000\n_cell_angle_beta 90.04807000\n_cell_angle_gamma 70.37459000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99281511\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39345613 0.43456145 0.17595427 1\n C C1 1 0.59496990 1.03613795 0.25081498 1\n C C2 1 0.71335665 0.79528026 0.87837858 1\n C C3 1 0.91247521 0.39710816 -0.04669250 1\n C C4 1 0.17333913 0.87924322 0.38197056 1\n C C5 1 0.13489558 0.95206417 0.74719990 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43081000\n_cell_length_b 4.10617000\n_cell_length_c 5.50361000\n_cell_angle_alpha 97.54890000\n_cell_angle_beta 76.80584000\n_cell_angle_gamma 125.73488000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.41366219\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35020382 0.32186307 0.38578835 1\n C C1 1 0.01725229 0.76486158 0.94058103 1\n C C2 1 0.35063549 0.98706423 0.71862191 1\n C C3 1 0.01643423 0.09629872 0.60662689 1\n C C4 1 0.01623537 0.43143373 0.27394229 1\n C C5 1 0.35160382 0.65560947 0.05254542 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48141000\n_cell_length_b 4.21733000\n_cell_length_c 3.68933000\n_cell_angle_alpha 104.75723000\n_cell_angle_beta 70.34915000\n_cell_angle_gamma 90.03453000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00690188\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06424413 0.15533049 0.11282400 1\n C C1 1 0.84446456 0.36155591 0.55805763 1\n C C2 1 0.58389912 0.93330579 0.07449197 1\n C C3 1 0.26640327 0.23037913 0.71428449 1\n C C4 1 0.38455830 -0.14242642 0.47215623 1\n C C5 1 0.80575471 0.72694719 0.62951858 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45221000\n_cell_length_b 5.44097000\n_cell_length_c 4.91816000\n_cell_angle_alpha 90.01304000\n_cell_angle_beta 89.99412000\n_cell_angle_gamma 63.16180000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.55179580\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72212314 0.26205237 0.46721784 1\n C C1 1 0.21607979 0.76990015 0.46688335 1\n C C2 1 0.79708645 0.18755395 0.75741157 1\n C C3 1 0.70923988 0.77685913 0.92899739 1\n C C4 1 0.46943588 1.01606420 0.11909788 1\n C C5 1 0.96922927 1.01621605 0.29743036 1\n C C6 1 0.46882192 0.51579026 0.30261046 1\n C C7 1 0.22998131 0.25439739 0.92893702 1\n C C8 1 1.14211003 -0.15620030 0.75730541 1\n C C9 1 -0.03083406 0.51561882 0.09931422 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52006000\n_cell_length_b 5.14384000\n_cell_length_c 9.87259000\n_cell_angle_alpha 102.37218000\n_cell_angle_beta 82.68023000\n_cell_angle_gamma 119.34793000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 108.92340911\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06366094 -0.09171990 0.51930640 1\n C C1 1 0.42795456 0.46048147 0.63966989 1\n C C2 1 0.19422484 0.91217763 0.00815829 1\n C C3 1 1.36748406 0.01563653 0.86771987 1\n C C4 1 0.20689264 0.05245643 0.26656372 1\n C C5 1 0.68368242 0.46272343 0.13355213 1\n C C6 1 0.24298056 0.56441106 0.21861960 1\n C C7 1 0.73403172 0.76878529 0.64329426 1\n C C8 1 -0.25626958 0.85677231 0.79753897 1\n C C9 1 0.52948530 0.88621744 0.28908019 1\n C C10 1 0.87715512 0.59335896 0.00489868 1\n C C11 1 0.35431913 0.12952487 0.12450336 1\n C C12 1 0.37680636 0.48824160 0.79512612 1\n C C13 1 0.37535162 0.80448005 0.43391181 1\n C C14 1 0.08889789 0.48251733 0.36359545 1\n C C15 1 0.41074368 0.31561814 0.38568498 1\n C C16 1 0.73633078 0.38330485 0.86602380 1\n C C17 1 0.25916194 0.23513950 0.52788338 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48034000\n_cell_length_b 4.24370000\n_cell_length_c 5.62890000\n_cell_angle_alpha 82.18359000\n_cell_angle_beta 102.73510000\n_cell_angle_gamma 89.98480000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.22624931\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.20614400 0.10320174 0.98182920 1\n C C1 1 0.03204643 0.67571414 0.45990512 1\n C C2 1 -0.02158254 0.36448417 0.35373781 1\n C C3 1 0.66174897 0.27847852 0.72032827 1\n C C4 1 0.84744379 0.41385744 0.08815270 1\n C C5 1 0.48749027 0.86211176 0.37236922 1\n C C6 1 0.53128520 0.18758504 0.45732146 1\n C C7 1 0.29476779 0.59106298 -0.01562740 1\n C C8 1 0.33780734 0.91647244 0.06874207 1\n C C9 1 0.16206656 0.49959707 0.72142106 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48398000\n_cell_length_b 3.56083000\n_cell_length_c 6.77471000\n_cell_angle_alpha 82.17462000\n_cell_angle_beta 68.49359000\n_cell_angle_gamma 69.45268000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.20187897\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87727699 0.29957037 0.43059388 1\n C C1 1 0.83161500 0.92918712 0.16012936 1\n C C2 1 0.66458576 0.30576701 0.64026184 1\n C C3 1 0.70947167 0.67478583 0.91020356 1\n C C4 1 0.07956936 0.93256122 0.91040122 1\n C C5 1 0.46152883 0.67129283 0.15985402 1\n C C6 1 0.03597164 0.30599656 0.76886755 1\n C C7 1 0.50683744 0.29836226 0.30156617 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48063000\n_cell_length_b 3.68764000\n_cell_length_c 4.89872000\n_cell_angle_alpha 66.72541000\n_cell_angle_beta 59.54623000\n_cell_angle_gamma 70.30031000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.95229741\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85946637 0.30172482 -0.04530085 1\n C C1 1 0.13331154 -0.09493640 0.87844974 1\n C C2 1 0.84286780 0.74792316 0.74786010 1\n C C3 1 0.17386742 0.81433602 0.38353268 1\n C C4 1 0.15721190 0.26069769 0.17678271 1\n C C5 1 -0.11754154 0.65775622 0.25284632 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46482000\n_cell_length_b 5.67434000\n_cell_length_c 6.10395000\n_cell_angle_alpha 63.13409000\n_cell_angle_beta 84.28094000\n_cell_angle_gamma 81.68028000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 75.29855904\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45613513 0.88213556 0.18844418 1\n C C1 1 0.55165106 0.78119294 0.40697784 1\n C C2 1 0.55578694 0.65264020 0.65676119 1\n C C3 1 0.52107022 0.39389658 0.16885556 1\n C C4 1 -0.03617389 0.07586208 0.81058179 1\n C C5 1 0.98364875 0.20557194 0.55346060 1\n C C6 1 0.45315869 0.01191592 0.93855352 1\n C C7 1 0.49457552 0.26788771 0.42559198 1\n C C8 1 0.04572145 0.58840189 0.78469455 1\n C C9 1 1.03056013 0.45741669 0.04139669 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31167000\n_cell_length_b 3.39656000\n_cell_length_c 5.85917000\n_cell_angle_alpha 99.57356000\n_cell_angle_beta 115.63931000\n_cell_angle_gamma 87.40409000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.56240420\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43066141 0.64535858 0.14502503 1\n C C1 1 -0.10672463 0.53251056 0.31307020 1\n C C2 1 0.59582104 0.93476586 0.58782854 1\n C C3 1 0.14775422 0.27389594 -0.01181175 1\n C C4 1 0.94703063 0.15037195 0.16185584 1\n C C5 1 0.48950554 -0.06029876 0.99434316 1\n C C6 1 0.95419337 0.60287529 0.58810158 1\n C C7 1 0.77917230 0.34892395 0.72605739 1\n C C8 1 0.22622995 0.84582412 0.31451543 1\n C C9 1 0.44413997 0.70776951 0.74271788 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48698000\n_cell_length_b 3.95541000\n_cell_length_c 7.56492000\n_cell_angle_alpha 74.89299000\n_cell_angle_beta 99.39136000\n_cell_angle_gamma 89.92900000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.80672398\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70692754 0.10640864 0.79796106 1\n C C1 1 0.33337002 0.66335592 0.05039723 1\n C C2 1 0.33327380 0.29556297 0.05060473 1\n C C3 1 0.63935586 0.46448131 0.66203249 1\n C C4 1 0.08027501 0.54524451 0.54288427 1\n C C5 1 0.63909534 0.88374020 0.66211590 1\n C C6 1 0.08006103 0.92205271 0.54290475 1\n C C7 1 1.26819178 0.04399591 0.92100494 1\n C C8 1 0.43156329 0.69250711 0.24614005 1\n C C9 1 0.98205078 0.14539471 0.34817429 1\n C C10 1 0.43156103 0.07090379 0.24620915 1\n C C11 1 -0.01804626 0.51658673 0.34790856 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.25866000\n_cell_length_b 3.34191000\n_cell_length_c 4.99763000\n_cell_angle_alpha 83.98635000\n_cell_angle_beta 94.95514000\n_cell_angle_gamma 122.02294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.93171202\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55187099 0.33432265 0.36786783 1\n C C1 1 0.89709299 0.75515415 0.48720246 1\n C C2 1 0.28437703 0.81466580 0.49475494 1\n C C3 1 0.29955295 0.51442140 0.27416822 1\n C C4 1 0.45771794 0.77427802 0.75654944 1\n C C5 1 0.94878364 0.08259846 0.22735389 1\n C C6 1 0.35117531 0.84160906 0.01431122 1\n C C7 1 0.96402578 0.78223720 0.00692451 1\n C C8 1 0.79046677 0.82197270 0.74524772 1\n C C9 1 0.69638909 0.26245935 0.13364688 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48595000\n_cell_length_b 4.66967000\n_cell_length_c 6.43901000\n_cell_angle_alpha 89.47522000\n_cell_angle_beta 112.71709000\n_cell_angle_gamma 122.17400000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.48269303\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34055258 1.09578548 0.12110898 1\n C C1 1 0.57797979 0.50284043 0.45213652 1\n C C2 1 0.59065768 0.31404274 0.65277899 1\n C C3 1 0.32373704 0.74260578 0.45802308 1\n C C4 1 0.11320061 0.29828915 0.19097732 1\n C C5 1 0.12368342 0.78816247 0.21258515 1\n C C6 1 0.12915438 0.65134095 0.85388376 1\n C C7 1 0.87537699 0.89137751 0.85985626 1\n C C8 1 0.32804560 0.60553163 0.09929714 1\n C C9 1 0.86306202 0.08011625 0.65902688 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47809000\n_cell_length_b 2.47743000\n_cell_length_c 6.31007000\n_cell_angle_alpha 101.32587000\n_cell_angle_beta 90.02327000\n_cell_angle_gamma 59.96122000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.66363004\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10687948 0.72497745 1.04654821 1\n C C1 1 0.02439994 0.89235221 0.29771152 1\n C C2 1 0.80020450 0.33684707 0.96302932 1\n C C3 1 0.88180150 0.17366836 0.71592339 1\n C C4 1 0.57633063 0.78536912 0.63297533 1\n C C5 1 0.66200915 0.61636429 0.38200773 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45292000\n_cell_length_b 4.73737000\n_cell_length_c 7.39674000\n_cell_angle_alpha 61.86654000\n_cell_angle_beta 99.53968000\n_cell_angle_gamma 74.96915000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.89153495\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36577243 0.57685249 0.68048211 1\n C C1 1 0.68863938 0.54582958 0.29265174 1\n C C2 1 0.98623736 0.48119096 0.82678059 1\n C C3 1 0.25236224 1.08615768 -0.03811076 1\n C C4 1 0.50251714 0.26651121 0.64280631 1\n C C5 1 -0.23518434 0.98629759 0.88646700 1\n C C6 1 1.00599216 0.59819293 0.98260547 1\n C C7 1 0.65657820 0.44553541 0.13148334 1\n C C8 1 0.45780541 0.91875536 0.20526943 1\n C C9 1 0.94977250 0.25269912 0.52308721 1\n C C10 1 -0.07625794 1.04879024 0.26695508 1\n C C11 1 1.09094784 -0.05537997 0.49717227 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.74603000\n_cell_length_b 4.75396000\n_cell_length_c 9.21951000\n_cell_angle_alpha 103.76576000\n_cell_angle_beta 102.20141000\n_cell_angle_gamma 111.60629000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 139.90314640\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85861464 0.56223408 0.51517050 1\n C C1 1 0.88248883 0.48623570 0.19129245 1\n C C2 1 0.13950323 -0.07681850 0.54722601 1\n C C3 1 0.44986941 0.60124593 0.67164681 1\n C C4 1 0.54075873 0.91873660 0.78886842 1\n C C5 1 0.60157905 0.45077708 0.05134362 1\n C C6 1 0.23276058 1.19887946 0.98645745 1\n C C7 1 0.30752541 0.08734901 0.73036815 1\n C C8 1 0.61283624 0.44360295 0.78435439 1\n C C9 1 -0.00327364 0.32547513 0.41285817 1\n C C10 1 0.69748957 0.65778294 0.95860548 1\n C C11 1 0.99740565 0.44295625 0.79184428 1\n C C12 1 0.88711055 1.10002847 0.50386914 1\n C C13 1 1.01334763 0.41632325 0.63304509 1\n C C14 1 0.99746842 1.14415967 0.82603901 1\n C C15 1 0.76283864 0.24090811 0.25273348 1\n C C16 1 0.36703604 0.75996448 0.90696239 1\n C C17 1 0.44346534 -0.13694594 0.45500590 1\n C C18 1 0.24254144 -0.22654628 0.27650858 1\n C C19 1 0.45295806 0.56564815 0.49811445 1\n C C20 1 0.38504698 -0.02868116 0.19071756 1\n C C21 1 0.15840251 0.90070694 1.02163466 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47575000\n_cell_length_b 4.79423000\n_cell_length_c 4.79693000\n_cell_angle_alpha 51.72603000\n_cell_angle_beta 90.00917000\n_cell_angle_gamma 89.99481000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.69826668\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56138923 0.48373005 0.27796459 1\n C C1 1 0.56091752 0.03157675 0.08687848 1\n C C2 1 0.56147334 0.85410226 0.90794903 1\n C C3 1 1.06093430 0.60858304 0.66447123 1\n C C4 1 0.06141544 0.90658499 0.70025427 1\n C C5 1 0.56095492 0.66125180 0.45683276 1\n C C6 1 1.06079166 0.23933162 0.03391474 1\n C C7 1 0.06144729 0.27589789 0.33075570 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46227000\n_cell_length_b 5.60064000\n_cell_length_c 7.13660000\n_cell_angle_alpha 98.50750000\n_cell_angle_beta 74.27351000\n_cell_angle_gamma 118.48843000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.24074251\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55956844 0.68237741 0.50101470 1\n C C1 1 -0.10171623 0.63513190 0.61616842 1\n C C2 1 0.50503631 0.10377632 1.04828216 1\n C C3 1 0.81482746 0.24357769 0.75690327 1\n C C4 1 0.42342861 0.71530581 0.19013029 1\n C C5 1 0.46966058 0.56675113 0.98645419 1\n C C6 1 0.81226628 0.38996973 -0.04138660 1\n C C7 1 0.50855656 -0.04245608 0.84706036 1\n C C8 1 0.46881389 0.31484022 0.64516283 1\n C C9 1 0.76386600 0.66922898 0.30552870 1\n C C10 1 0.85192219 0.78166690 0.81950297 1\n C C11 1 0.91184300 0.15772194 0.35504059 1\n C C12 1 0.40852691 0.19528433 0.44937652 1\n C C13 1 0.85186411 0.03411472 0.16017208 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.70569000\n_cell_length_b 4.18164000\n_cell_length_c 4.80810000\n_cell_angle_alpha 70.76840000\n_cell_angle_beta 89.89701000\n_cell_angle_gamma 59.40797000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.28476152\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.21349699 1.08603633 0.77141449 1\n C C1 1 1.38086967 0.49090903 0.57952387 1\n C C2 1 0.43856007 0.43233140 0.07822677 1\n C C3 1 0.16921401 0.70410494 0.77115194 1\n C C4 1 1.22665167 0.64556368 0.26990610 1\n C C5 1 0.82018417 1.05032012 0.07782983 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.27857000\n_cell_length_b 3.43282000\n_cell_length_c 4.68537000\n_cell_angle_alpha 89.36590000\n_cell_angle_beta 117.39980000\n_cell_angle_gamma 106.32167000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.06679895\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72791704 0.19951183 0.04218371 1\n C C1 1 0.09705822 0.43404116 0.17881373 1\n C C2 1 0.72965622 0.75206965 0.49582342 1\n C C3 1 0.41182000 0.44072042 0.48941077 1\n C C4 1 0.59939944 0.91209490 0.20361774 1\n C C5 1 0.41303692 0.19285164 0.73118499 1\n C C6 1 1.09508181 0.88157597 0.72507799 1\n C C7 1 0.22528125 0.72347213 1.01800536 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43122000\n_cell_length_b 2.42644000\n_cell_length_c 9.05474000\n_cell_angle_alpha 69.16375000\n_cell_angle_beta 84.35735000\n_cell_angle_gamma 60.05477000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.05043009\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04058904 0.49501509 0.60048851 1\n C C1 1 0.71744471 0.61525203 -0.06486722 1\n C C2 1 0.37332277 0.82975239 0.59984071 1\n C C3 1 0.27951125 0.36282901 0.26811507 1\n C C4 1 1.05030097 -0.05112209 0.93510879 1\n C C5 1 0.61208786 0.69649437 0.26804084 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47887000\n_cell_length_b 5.98696000\n_cell_length_c 7.22256000\n_cell_angle_alpha 108.48629000\n_cell_angle_beta 99.87913000\n_cell_angle_gamma 65.54810000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.43943515\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64289011 0.30659322 0.53828003 1\n C C1 1 1.39709164 0.60807725 0.65241865 1\n C C2 1 0.58753423 0.16135620 0.13255911 1\n C C3 1 0.98750741 0.30430513 0.21993496 1\n C C4 1 0.02747120 1.06294305 0.81173318 1\n C C5 1 0.92951128 0.04505140 0.58264005 1\n C C6 1 0.92569451 0.73357367 0.95150270 1\n C C7 1 0.19995571 0.48750798 0.00731387 1\n C C8 1 0.53450484 0.89108968 0.48485219 1\n C C9 1 0.86212652 -0.09784414 0.16049935 1\n C C10 1 0.72254042 0.53003274 0.13912249 1\n C C11 1 -0.19484397 0.64651970 0.54549472 1\n C C12 1 1.03538822 0.36229023 0.43339672 1\n C C13 1 0.49074593 0.81936504 0.25312318 1\n C C14 1 0.32492365 0.78185841 0.84807851 1\n C C15 1 0.45025751 1.19329285 0.91802329 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48502000\n_cell_length_b 4.67782000\n_cell_length_c 4.08737000\n_cell_angle_alpha 83.35573000\n_cell_angle_beta 90.00183000\n_cell_angle_gamma 105.40535000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.47535662\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53091961 0.45946416 1.00466892 1\n C C1 1 0.24332289 -0.11281537 0.24191862 1\n C C2 1 0.91439907 0.22979298 0.53588683 1\n C C3 1 0.75947341 0.91554016 0.71687779 1\n C C4 1 0.70108529 0.80130180 0.07233370 1\n C C5 1 0.02998961 0.45701357 0.77830862 1\n C C6 1 0.41311559 1.22782494 0.31120262 1\n C C7 1 1.18763354 0.77135396 0.59773270 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45342000\n_cell_length_b 3.35883000\n_cell_length_c 8.09319000\n_cell_angle_alpha 112.88194000\n_cell_angle_beta 90.03031000\n_cell_angle_gamma 68.45355000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.35778646\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98842106 0.14860915 0.73820042 1\n C C1 1 0.45947163 0.20693568 0.82950027 1\n C C2 1 0.39785237 1.33136828 1.02102097 1\n C C3 1 -0.13012122 0.38853600 0.11218779 1\n C C4 1 0.79450547 0.54003130 0.30818387 1\n C C5 1 0.33439360 0.46123320 0.39813951 1\n C C6 1 0.06623742 0.99549216 0.54208916 1\n C C7 1 0.52778468 0.07373603 0.45199993 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.59346000\n_cell_length_b 5.48139000\n_cell_length_c 3.64784000\n_cell_angle_alpha 108.55137000\n_cell_angle_beta 91.79814000\n_cell_angle_gamma 118.18782000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.29542437\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34721531 0.58568937 0.30867516 1\n C C1 1 0.84793258 0.08704331 0.25170276 1\n C C2 1 0.53742036 0.77630558 1.09621029 1\n C C3 1 0.03815028 0.27731637 0.03875530 1\n C C4 1 0.03860507 0.27738742 0.65425891 1\n C C5 1 0.34711541 0.58582546 0.69344667 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45276000\n_cell_length_b 3.35730000\n_cell_length_c 7.48758000\n_cell_angle_alpha 93.71664000\n_cell_angle_beta 80.59184000\n_cell_angle_gamma 111.34236000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.65583854\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42382857 0.74837675 0.60180535 1\n C C1 1 0.68514566 1.12749057 0.45985335 1\n C C2 1 -0.03491849 0.92253047 0.69276437 1\n C C3 1 0.75945818 0.07954173 0.26454570 1\n C C4 1 0.35638644 -0.00936487 0.98108158 1\n C C5 1 0.28925476 0.04851468 0.17353739 1\n C C6 1 0.88867998 0.96491568 0.88903458 1\n C C7 1 0.22662230 0.30224110 0.54981959 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48015000\n_cell_length_b 4.24296000\n_cell_length_c 5.62718000\n_cell_angle_alpha 82.17861000\n_cell_angle_beta 77.26655000\n_cell_angle_gamma 90.00173000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.19450114\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69995560 0.39954966 0.68893758 1\n C C1 1 0.88501840 0.13764430 0.31720000 1\n C C2 1 0.83151339 0.44808564 0.42335626 1\n C C3 1 0.64692027 0.71060238 0.79525634 1\n C C4 1 0.14738085 0.22286955 0.79258680 1\n C C5 1 0.51847887 0.53409139 0.05663994 1\n C C6 1 0.19155266 0.89715828 0.70798500 1\n C C7 1 0.38330995 0.62512871 0.31984296 1\n C C8 1 0.01886915 0.31346357 0.05541846 1\n C C9 1 0.34196736 0.95066262 0.40444575 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48788000\n_cell_length_b 2.48794000\n_cell_length_c 8.60871000\n_cell_angle_alpha 73.20332000\n_cell_angle_beta 73.21081000\n_cell_angle_gamma 59.96428000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.48807970\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35350400 0.53554269 0.57778029 1\n C C1 1 0.85315616 0.03595730 0.32760199 1\n C C2 1 0.85321650 0.03508824 0.82787344 1\n C C3 1 0.22750706 0.41094383 0.26525585 1\n C C4 1 0.35264322 0.53598049 0.07770116 1\n C C5 1 0.22783521 0.41005386 0.76541235 1\n C C6 1 0.72717745 -0.08902984 0.01520867 1\n C C7 1 0.72791110 0.91052503 0.51547146 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42774000\n_cell_length_b 4.23286000\n_cell_length_c 4.88102000\n_cell_angle_alpha 94.59489000\n_cell_angle_beta 119.77575000\n_cell_angle_gamma 89.92559000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.35369468\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10451675 0.45606060 0.46357805 1\n C C1 1 0.46374138 0.59597687 0.32336624 1\n C C2 1 1.04238044 0.10465894 0.40210146 1\n C C3 1 0.52628638 -0.05296402 0.38475451 1\n C C4 1 0.11269556 0.53436906 -0.02758906 1\n C C5 1 0.45579048 0.51674935 0.81478150 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25614000\n_cell_length_b 3.66835000\n_cell_length_c 8.36242000\n_cell_angle_alpha 66.85056000\n_cell_angle_beta 76.61654000\n_cell_angle_gamma 69.34134000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.43697946\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28411708 0.55783274 0.63653326 1\n C C1 1 0.82583516 0.71677294 0.98031779 1\n C C2 1 0.64842591 0.61242998 0.48174653 1\n C C3 1 0.26144311 -0.53734789 0.04901386 1\n C C4 1 0.84881690 0.81208422 0.56711294 1\n C C5 1 0.20674220 1.04791782 0.18859158 1\n C C6 1 0.71297286 1.25667604 0.27094225 1\n C C7 1 0.39799336 1.01743097 0.34512426 1\n C C8 1 0.46204750 0.66100337 0.13528801 1\n C C9 1 0.21641765 0.15541919 0.74271576 1\n C C10 1 0.90380388 1.22595428 0.42795676 1\n C C11 1 0.89443608 0.11926098 0.87348580 1\n C C12 1 0.63114159 0.49902570 0.89929591 1\n C C13 1 0.47943341 0.77602627 0.71666780 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48723000\n_cell_length_b 4.06085000\n_cell_length_c 7.00300000\n_cell_angle_alpha 139.88405000\n_cell_angle_beta 89.98979000\n_cell_angle_gamma 90.00690000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.57532534\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30184573 0.52552572 0.93613882 1\n C C1 1 0.80181619 0.20988859 0.82150137 1\n C C2 1 1.30210249 0.09096630 0.46886735 1\n C C3 1 -0.19804471 -0.12937100 0.47345149 1\n C C4 1 -0.19780603 0.94652300 0.89106079 1\n C C5 1 0.30185685 0.06728942 0.24386348 1\n C C6 1 0.80194611 0.28715971 0.23833364 1\n C C7 1 0.30216938 0.63119325 0.77686916 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47563000\n_cell_length_b 3.72273000\n_cell_length_c 4.25060000\n_cell_angle_alpha 116.01272000\n_cell_angle_beta 90.00813000\n_cell_angle_gamma 89.99067000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.20551124\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65090434 0.51207939 0.26781481 1\n C C1 1 0.15093102 0.71490047 0.49032934 1\n C C2 1 0.15112141 0.12373998 0.49055363 1\n C C3 1 0.65096101 1.10331037 0.26769402 1\n C C4 1 0.65092587 0.66873655 0.98969191 1\n C C5 1 0.15088165 0.55850015 0.76852129 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.79033000\n_cell_length_b 3.37593000\n_cell_length_c 4.08037000\n_cell_angle_alpha 100.26062000\n_cell_angle_beta 108.58823000\n_cell_angle_gamma 107.05592000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.13616513\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66170637 0.72097592 0.27611788 1\n C C1 1 0.69243111 0.69672628 0.64281554 1\n C C2 1 0.29686949 0.37719118 0.64061278 1\n C C3 1 0.05716065 1.03998771 0.27824835 1\n C C4 1 0.02940997 0.52518757 0.80073127 1\n C C5 1 0.83948385 0.15424824 0.93002772 1\n C C6 1 0.51453757 0.26297904 0.98857594 1\n C C7 1 0.32528049 0.89317505 0.11907391 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48391000\n_cell_length_b 5.97428000\n_cell_length_c 10.58184000\n_cell_angle_alpha 131.78016000\n_cell_angle_beta 89.98543000\n_cell_angle_gamma 102.01482000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 112.45107628\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38262683 0.99261812 0.33027383 1\n C C1 1 -0.22081795 -0.22527565 0.43635918 1\n C C2 1 0.03722970 0.29212786 0.86181540 1\n C C3 1 1.10913124 0.43196748 0.70886875 1\n C C4 1 0.83666291 0.88945294 0.86634881 1\n C C5 1 -0.26169382 0.69636054 0.53021189 1\n C C6 1 0.55527222 0.33011833 0.08393993 1\n C C7 1 0.27959749 0.77730304 0.62812211 1\n C C8 1 0.78945176 0.79438330 0.97218344 1\n C C9 1 0.35295893 -0.07729282 0.44266807 1\n C C10 1 0.45983465 0.13789102 0.74788497 1\n C C11 1 0.94264252 0.10278953 0.17138573 1\n C C12 1 0.51733960 0.25130949 0.17788536 1\n C C13 1 0.26005365 0.73562117 0.75234175 1\n C C14 1 0.19033623 0.59533670 0.90509557 1\n C C15 1 0.50924289 0.23285362 0.64159991 1\n C C16 1 1.01644179 0.25053481 0.98620687 1\n C C17 1 0.90077687 1.02946202 0.28233411 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45607000\n_cell_length_b 3.66330000\n_cell_length_c 6.43231000\n_cell_angle_alpha 75.95613000\n_cell_angle_beta 78.97321000\n_cell_angle_gamma 70.38272000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.50180113\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38755622 0.30749074 0.77636176 1\n C C1 1 0.47992217 0.36071979 0.53947345 1\n C C2 1 -0.23866784 0.47346530 0.86404393 1\n C C3 1 0.97010030 0.86176886 0.05845430 1\n C C4 1 0.53502943 0.87769350 0.91287920 1\n C C5 1 0.02252279 0.38516834 0.43200441 1\n C C6 1 0.74387147 0.26536522 0.10804446 1\n C C7 1 0.11724056 0.43260987 0.19535840 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47264000\n_cell_length_b 5.49881000\n_cell_length_c 5.48077000\n_cell_angle_alpha 71.17711000\n_cell_angle_beta 90.38150000\n_cell_angle_gamma 79.17158000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.09688894\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01991538 0.76231332 0.47054123 1\n C C1 1 0.28208271 0.13753596 0.40933917 1\n C C2 1 0.62769946 0.25792079 -0.06315014 1\n C C3 1 0.65611933 0.34709904 0.65249910 1\n C C4 1 0.79345248 0.11156278 0.57157272 1\n C C5 1 0.45022808 -0.01049544 0.04356210 1\n C C6 1 1.09273024 0.48865253 0.50699391 1\n C C7 1 0.59098585 0.47456678 0.08135011 1\n C C8 1 0.94985451 0.83195673 0.72908733 1\n C C9 1 0.48513034 0.77192574 0.89943474 1\n C C10 1 0.12536482 0.41688018 0.25029693 1\n C C11 1 0.41656438 -0.09600712 0.32614100 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43858000\n_cell_length_b 5.56352000\n_cell_length_c 5.27721000\n_cell_angle_alpha 106.69003000\n_cell_angle_beta 84.06282000\n_cell_angle_gamma 109.93695000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.46887208\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07298170 0.71538166 0.33857865 1\n C C1 1 0.69451329 0.83663198 0.95281488 1\n C C2 1 0.53395593 0.68120041 0.45690232 1\n C C3 1 0.17175633 0.85619178 0.12589743 1\n C C4 1 0.81553712 0.22853629 0.42490737 1\n C C5 1 0.47386737 0.59421593 0.71015947 1\n C C6 1 0.97567483 1.09161493 0.86859652 1\n C C7 1 0.84342985 0.42101502 0.69033334 1\n C C8 1 0.27183851 0.12340340 0.31733576 1\n C C9 1 0.58820126 0.20876369 0.83258556 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54172000\n_cell_length_b 2.48041000\n_cell_length_c 6.25489000\n_cell_angle_alpha 78.43909000\n_cell_angle_beta 66.83170000\n_cell_angle_gamma 89.88109000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.38900603\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79695586 0.75773880 0.25436363 1\n C C1 1 -0.00093602 1.10695791 0.55793604 1\n C C2 1 0.65309791 0.18729048 0.39706128 1\n C C3 1 0.19509839 0.44700919 0.87416430 1\n C C4 1 0.84901611 0.52908493 0.71307892 1\n C C5 1 1.05201775 0.87569860 1.01668392 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44564000\n_cell_length_b 4.85238000\n_cell_length_c 5.98043000\n_cell_angle_alpha 113.38978000\n_cell_angle_beta 114.17995000\n_cell_angle_gamma 75.38800000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.08203976\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20154070 0.15207207 0.52079956 1\n C C1 1 0.99707394 0.45532761 0.46832879 1\n C C2 1 0.35039732 0.08713924 0.13664521 1\n C C3 1 1.11830180 -0.01921315 -0.14893016 1\n C C4 1 0.85053299 0.52145092 0.85275803 1\n C C5 1 0.86070754 0.17824348 0.69199547 1\n C C6 1 0.33791239 0.43045286 0.29719814 1\n C C7 1 0.18295634 0.64916538 0.74921775 1\n C C8 1 0.01802869 0.95909041 0.24022863 1\n C C9 1 0.08049079 0.62786517 0.13841708 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43496000\n_cell_length_b 6.04960000\n_cell_length_c 5.10823000\n_cell_angle_alpha 55.23404000\n_cell_angle_beta 77.83155000\n_cell_angle_gamma 69.16735000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.77011626\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52189006 0.87767867 0.76893360 1\n C C1 1 0.52203548 0.54411694 0.43556744 1\n C C2 1 0.52209597 0.37737695 0.76893244 1\n C C3 1 0.02229614 0.29380721 0.93575659 1\n C C4 1 0.02207409 0.12747063 0.26871715 1\n C C5 1 0.02216600 0.62732524 0.26872109 1\n C C6 1 1.02220189 0.79397391 -0.06422170 1\n C C7 1 0.52178567 1.04440575 0.43557478 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48477000\n_cell_length_b 4.15909000\n_cell_length_c 6.95688000\n_cell_angle_alpha 89.99819000\n_cell_angle_beta 69.08530000\n_cell_angle_gamma 90.00686000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.15809970\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52095497 0.64816765 0.22479333 1\n C C1 1 0.18074954 -0.02887902 0.56552105 1\n C C2 1 -0.01910845 0.14811451 0.26219142 1\n C C3 1 0.69283771 0.49605486 0.55511167 1\n C C4 1 -0.25441188 0.14818031 0.49962380 1\n C C5 1 0.28546302 0.64814675 0.46234758 1\n C C6 1 1.08611461 0.47102915 0.15873109 1\n C C7 1 -0.04201436 0.84355479 0.78671023 1\n C C8 1 0.80035419 0.12009751 0.94221420 1\n C C9 1 0.46224219 0.62020087 0.78248965 1\n C C10 1 0.57308615 -0.00415898 0.16965620 1\n C C11 1 0.30497902 0.34341670 0.93785999 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48382000\n_cell_length_b 3.82522000\n_cell_length_c 6.93669000\n_cell_angle_alpha 123.53681000\n_cell_angle_beta 79.74929000\n_cell_angle_gamma 71.04286000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.30815779\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67735801 0.03330361 0.42280383 1\n C C1 1 0.93667789 0.57174813 0.36484869 1\n C C2 1 0.63540049 0.49910285 1.03735749 1\n C C3 1 0.97681280 0.10623247 0.75060023 1\n C C4 1 -0.03464693 0.29288741 0.58795487 1\n C C5 1 0.69503982 0.77715125 0.64404757 1\n C C6 1 -0.35246294 0.31248265 0.20004049 1\n C C7 1 -0.08184242 0.82797103 1.14358772 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45639000\n_cell_length_b 3.66477000\n_cell_length_c 6.89522000\n_cell_angle_alpha 112.22132000\n_cell_angle_beta 69.13642000\n_cell_angle_gamma 109.59276000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.22939546\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77602274 0.13254921 0.03335327 1\n C C1 1 0.48469392 0.82876739 0.17100072 1\n C C2 1 -0.05112185 0.58180484 0.08402864 1\n C C3 1 0.34807762 1.02629322 0.40716857 1\n C C4 1 0.36400718 0.01702888 0.88746973 1\n C C5 1 0.65116702 0.31918636 0.74976868 1\n C C6 1 0.79067611 1.12398126 0.51316271 1\n C C7 1 0.18906836 0.56750264 0.83672667 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48463000\n_cell_length_b 4.58296000\n_cell_length_c 7.16864000\n_cell_angle_alpha 111.04129000\n_cell_angle_beta 110.04887000\n_cell_angle_gamma 90.09664000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.84087354\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10630642 0.40560694 0.49801315 1\n C C1 1 1.12575841 0.86135421 1.02266255 1\n C C2 1 0.01885901 0.09642251 0.40972836 1\n C C3 1 0.70161267 0.43982450 0.09721396 1\n C C4 1 0.51038192 -0.08070250 0.40240859 1\n C C5 1 0.28740020 0.64576594 0.18263053 1\n C C6 1 0.73983059 -0.09984740 0.63439126 1\n C C7 1 0.36909734 1.04544896 0.76434615 1\n C C8 1 -0.07004790 0.55372173 0.82483104 1\n C C9 1 0.70688231 0.56444507 0.60003158 1\n C C10 1 0.46272738 0.39606346 0.85877505 1\n C C11 1 0.61204085 0.04713189 0.00829629 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48770000\n_cell_length_b 5.56055000\n_cell_length_c 4.30473000\n_cell_angle_alpha 97.42116000\n_cell_angle_beta 73.18711000\n_cell_angle_gamma 77.07027000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.34376030\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11455157 0.46568073 0.03393816 1\n C C1 1 0.48504032 0.66557852 0.63429119 1\n C C2 1 0.68521074 1.06556424 0.83416108 1\n C C3 1 0.63541693 0.71578374 0.28400409 1\n C C4 1 0.83528963 0.11565763 0.48409233 1\n C C5 1 0.43524651 0.31579802 0.08413420 1\n C C6 1 0.08519175 0.86577814 0.23408554 1\n C C7 1 1.03526551 0.51558411 0.68420974 1\n C C8 1 0.28516762 0.26570463 0.43420295 1\n C C9 1 0.23500882 0.91568153 0.88435712 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68739000\n_cell_length_b 2.48084000\n_cell_length_c 4.22060000\n_cell_angle_alpha 89.97996000\n_cell_angle_beta 75.07033000\n_cell_angle_gamma 70.36404000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97843215\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05155965 0.85417624 0.31932353 1\n C C1 1 0.14015915 0.30673644 0.81487839 1\n C C2 1 0.89540954 0.43212852 0.18826703 1\n C C3 1 0.53684543 0.11001993 0.89119272 1\n C C4 1 0.49776792 0.62941946 0.11252393 1\n C C5 1 -0.01704089 0.88530562 0.68435350 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.77643000\n_cell_length_b 3.90597000\n_cell_length_c 4.76066000\n_cell_angle_alpha 114.26723000\n_cell_angle_beta 113.07787000\n_cell_angle_gamma 89.97093000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.80476426\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39157704 0.58697497 0.85241769 1\n C C1 1 0.98876434 0.32980531 0.67614479 1\n C C2 1 0.66116569 0.29541056 0.34021551 1\n C C3 1 0.80905288 0.45666792 0.93803673 1\n C C4 1 0.04257107 0.93037650 0.53906375 1\n C C5 1 1.02299148 0.86414929 0.18423685 1\n C C6 1 0.44554419 0.84975780 0.71589608 1\n C C7 1 0.62605584 0.71506325 0.45420555 1\n C C8 1 0.41240688 0.87579155 0.20795558 1\n C C9 1 0.77433160 0.15144175 1.05237968 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.08072000\n_cell_length_b 3.37715000\n_cell_length_c 3.79133000\n_cell_angle_alpha 72.96163000\n_cell_angle_beta 71.46605000\n_cell_angle_gamma 100.28567000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.18750540\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78168194 0.07135598 0.19093446 1\n C C1 1 0.49201789 0.29450835 0.73334875 1\n C C2 1 0.12722939 0.63754398 0.36950269 1\n C C3 1 0.12944155 0.95727606 0.97395014 1\n C C4 1 0.97025242 0.80925157 0.70614180 1\n C C5 1 0.83953169 0.17958360 0.51670109 1\n C C6 1 0.49421480 0.61340468 0.33760033 1\n C C7 1 0.65242303 0.44116119 0.00131714 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.69622000\n_cell_length_b 4.64634000\n_cell_length_c 6.49462000\n_cell_angle_alpha 39.10122000\n_cell_angle_beta 43.31600000\n_cell_angle_gamma 60.86536000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.16047860\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19126182 -0.10150044 0.44339919 1\n C C1 1 0.68074500 -0.05336490 0.92857825 1\n C C2 1 1.11463786 0.63993252 0.15198203 1\n C C3 1 0.43603834 0.66359176 0.81792075 1\n C C4 1 0.98913360 0.03886606 0.07616251 1\n C C5 1 0.22095610 0.43848974 0.64268856 1\n C C6 1 0.54198456 0.46207484 0.30861767 1\n C C7 1 0.46569218 0.20363015 0.01728877 1\n C C8 1 0.66774783 0.06316419 0.38433886 1\n C C9 1 0.97556190 0.15551606 0.53194280 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.94992000\n_cell_length_b 4.60014000\n_cell_length_c 4.91602000\n_cell_angle_alpha 101.94990000\n_cell_angle_beta 107.13673000\n_cell_angle_gamma 71.54894000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.33078761\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50891441 0.90638615 0.50019586 1\n C C1 1 0.48093287 0.56030380 -0.01071317 1\n C C2 1 1.05959933 0.77656464 0.94964983 1\n C C3 1 0.59586002 0.36179798 0.24048283 1\n C C4 1 0.12734384 0.10275523 0.06035640 1\n C C5 1 0.51765570 0.04936226 1.20070970 1\n C C6 1 0.78054122 0.76122100 0.10639760 1\n C C7 1 0.42915835 0.59409609 0.45979741 1\n C C8 1 0.54363565 0.39582245 0.71128196 1\n C C9 1 0.24506940 1.19466998 0.59488341 1\n C C10 1 -0.10110534 0.85329980 0.64151318 1\n C C11 1 -0.00702252 0.31527575 0.31949034 1\n C C12 1 0.96705286 0.17914237 0.75171445 1\n C C13 1 0.03208891 0.64079650 0.38154549 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52502000\n_cell_length_b 4.86549000\n_cell_length_c 5.96864000\n_cell_angle_alpha 113.66231000\n_cell_angle_beta 102.80406000\n_cell_angle_gamma 104.58111000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.54050495\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04099308 0.84397052 0.29346098 1\n C C1 1 0.61254981 0.30778647 0.85686218 1\n C C2 1 0.74171472 0.07893505 0.40053981 1\n C C3 1 0.68484349 0.80253489 0.62773485 1\n C C4 1 0.02719030 0.66253711 0.45557680 1\n C C5 1 0.92942408 0.15771157 0.68442309 1\n C C6 1 0.72609848 0.16356137 0.03559639 1\n C C7 1 0.79763459 0.66145711 0.00791695 1\n C C8 1 0.82008281 0.30879425 0.30020440 1\n C C9 1 0.73869574 0.85312225 0.89375525 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48450000\n_cell_length_b 3.82188000\n_cell_length_c 5.22444000\n_cell_angle_alpha 81.26361000\n_cell_angle_beta 90.01257000\n_cell_angle_gamma 108.95340000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31042688\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82399336 0.62812658 0.52337199 1\n C C1 1 0.64880641 0.27851641 0.35953246 1\n C C2 1 0.27791953 0.53410376 0.68842853 1\n C C3 1 0.31456842 0.60916104 0.96782298 1\n C C4 1 0.53028820 0.03692698 0.90923995 1\n C C5 1 1.03862098 1.05653562 0.46493956 1\n C C6 1 1.07640861 0.13060294 0.74456660 1\n C C7 1 0.70383190 0.38649087 0.07268413 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48973000\n_cell_length_b 3.58502000\n_cell_length_c 4.35673000\n_cell_angle_alpha 95.63569000\n_cell_angle_beta 106.55910000\n_cell_angle_gamma 69.83993000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99055142\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12536343 0.13323004 0.05654443 1\n C C1 1 0.64857819 0.50342326 0.47459439 1\n C C2 1 0.20905425 0.76238906 0.85056578 1\n C C3 1 0.02087769 0.76246924 0.47482929 1\n C C4 1 0.73067010 0.13351928 0.26853706 1\n C C5 1 0.83785684 0.50315023 0.85038954 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48339000\n_cell_length_b 7.30957000\n_cell_length_c 8.40218000\n_cell_angle_alpha 119.33987000\n_cell_angle_beta 107.17786000\n_cell_angle_gamma 90.00610000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 125.09064634\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86802622 0.67115301 0.67854329 1\n C C1 1 0.15631482 0.36842748 0.46821102 1\n C C2 1 0.67247192 0.64854423 0.48315263 1\n C C3 1 0.88906877 0.31849409 0.70180425 1\n C C4 1 1.11005466 0.46432130 0.91837926 1\n C C5 1 0.30801843 0.98376840 0.62035054 1\n C C6 1 -0.11192205 0.68231690 0.20029362 1\n C C7 1 0.48542102 0.81316467 0.29807386 1\n C C8 1 0.08682949 0.13747536 0.39789676 1\n C C9 1 0.51557917 1.00975680 0.82616379 1\n C C10 1 0.47798781 1.02005092 0.28968386 1\n C C11 1 0.78606058 0.44005494 0.59756850 1\n C C12 1 1.26561093 0.95587334 0.07441933 1\n C C13 1 0.30219824 0.18192320 0.61508892 1\n C C14 1 0.68186673 0.60943538 0.98996437 1\n C C15 1 0.24538652 0.35464596 0.05592835 1\n C C16 1 0.86808434 0.45987546 0.17859509 1\n C C17 1 0.07261710 0.51343805 0.38397645 1\n C C18 1 0.69572347 0.86171112 0.50699801 1\n C C19 1 0.47369150 0.78267260 0.78460582 1\n C C20 1 0.14192857 0.10747538 0.95314842 1\n C C21 1 0.67328777 0.81749862 0.98192506 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25835000\n_cell_length_b 6.31619000\n_cell_length_c 6.45054000\n_cell_angle_alpha 98.02814000\n_cell_angle_beta 94.47781000\n_cell_angle_gamma 85.82431000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 130.79414714\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42678947 0.28267470 0.68823221 1\n C C1 1 0.26231478 0.90368833 0.58326132 1\n C C2 1 0.85320402 0.57626014 0.57543140 1\n C C3 1 0.09169410 0.55120132 0.39972531 1\n C C4 1 1.21525316 0.37261389 0.25919826 1\n C C5 1 0.57994931 0.86741261 0.78277893 1\n C C6 1 0.39775488 0.00300404 0.15554438 1\n C C7 1 0.34070142 0.62729957 0.02863859 1\n C C8 1 0.37182462 0.67533600 0.82045194 1\n C C9 1 0.25847837 0.74778694 0.38789187 1\n C C10 1 0.47426254 0.04335948 0.95335957 1\n C C11 1 0.40470061 0.24619433 0.90210866 1\n C C12 1 0.36045446 0.79097346 0.19518481 1\n C C13 1 1.31603507 0.41613794 0.06164166 1\n C C14 1 0.29367971 0.12748207 0.53092057 1\n C C15 1 0.28388641 0.16660491 0.31542576 1\n C C16 1 0.57332853 0.48987128 0.67870018 1\n C C17 1 0.97318735 0.77933727 0.70178677 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44804000\n_cell_length_b 4.19816000\n_cell_length_c 7.96760000\n_cell_angle_alpha 62.07192000\n_cell_angle_beta 107.86987000\n_cell_angle_gamma 89.98711000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.84175434\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64074517 0.44089858 0.44656398 1\n C C1 1 0.28569186 0.48204545 1.09047362 1\n C C2 1 0.53129785 0.25309942 0.83284496 1\n C C3 1 0.46939117 0.64517800 0.77432803 1\n C C4 1 0.05886038 0.71816835 0.86375780 1\n C C5 1 0.88481320 0.40299669 0.19031353 1\n C C6 1 0.10954544 0.28025301 0.41458885 1\n C C7 1 0.22568600 0.85390600 0.53130788 1\n C C8 1 0.67270099 0.72552478 0.47786673 1\n C C9 1 0.03883295 0.08995943 0.84062522 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.60508000\n_cell_length_b 4.85184000\n_cell_length_c 5.39332000\n_cell_angle_alpha 55.39167000\n_cell_angle_beta 79.42694000\n_cell_angle_gamma 67.70233000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.77435143\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36525748 0.57396355 0.07932818 1\n C C1 1 0.37207405 0.88214336 0.08206569 1\n C C2 1 0.16296546 0.14952981 0.59986487 1\n C C3 1 -0.18774557 0.39392709 0.09553011 1\n C C4 1 0.71875271 0.77809636 0.27598343 1\n C C5 1 0.84702174 0.70799398 0.76866596 1\n C C6 1 -0.07327995 0.06867994 1.08675229 1\n C C7 1 1.04089713 0.43862791 0.27467964 1\n C C8 1 0.79344283 0.23935213 0.75730463 1\n C C9 1 0.53631568 0.05230161 0.76703637 1\n C C10 1 0.23660379 0.75906579 0.72684727 1\n C C11 1 0.63558885 0.63533557 0.60508396 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47077000\n_cell_length_b 3.88669000\n_cell_length_c 5.95986000\n_cell_angle_alpha 92.48488000\n_cell_angle_beta 78.17894000\n_cell_angle_gamma 90.02609000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.96468666\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69409013 0.91939576 0.71457793 1\n C C1 1 0.75802027 0.23650401 0.58113897 1\n C C2 1 0.28859015 0.42525639 0.51883761 1\n C C3 1 0.96394953 0.52491034 0.16161071 1\n C C4 1 -0.37256719 0.25423835 0.84377468 1\n C C5 1 0.19311173 0.71334794 0.71618862 1\n C C6 1 0.40646669 0.51670250 0.27580227 1\n C C7 1 1.09445629 0.44630941 0.91064060 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.82640000\n_cell_length_b 4.14922000\n_cell_length_c 4.82641000\n_cell_angle_alpha 114.88265000\n_cell_angle_beta 82.37680000\n_cell_angle_gamma 120.78634000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.86205337\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17937574 0.63831322 0.92067109 1\n C C1 1 1.23737409 0.69910430 0.42076080 1\n C C2 1 0.02407271 0.48501292 0.61051769 1\n C C3 1 0.58551152 0.04268537 0.11044956 1\n C C4 1 -0.03392564 0.42422184 0.11042799 1\n C C5 1 0.61793693 0.08064077 0.42073923 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43013000\n_cell_length_b 4.01979000\n_cell_length_c 5.74281000\n_cell_angle_alpha 85.11598000\n_cell_angle_beta 77.93881000\n_cell_angle_gamma 52.51026000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.46612987\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48398498 0.46799378 0.78681600 1\n C C1 1 -0.18129996 0.24212139 0.56608332 1\n C C2 1 0.81712214 -0.09029657 0.23250802 1\n C C3 1 0.48252507 0.80052295 0.12036268 1\n C C4 1 0.48396390 0.13313689 0.45388095 1\n C C5 1 -0.18147444 0.57708016 -0.10105296 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47812000\n_cell_length_b 2.67759000\n_cell_length_c 7.72879000\n_cell_angle_alpha 94.47172000\n_cell_angle_beta 109.99377000\n_cell_angle_gamma 92.74502000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.22019819\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13114268 0.50963139 0.69715852 1\n C C1 1 0.72971485 0.61286076 0.39394771 1\n C C2 1 0.98226563 0.10423314 0.39302060 1\n C C3 1 0.32391846 0.21504291 0.57901415 1\n C C4 1 0.69196638 0.56286167 0.58019065 1\n C C5 1 0.47234597 0.51238487 0.05305293 1\n C C6 1 0.83906200 -0.03081061 0.88401540 1\n C C7 1 0.09216447 0.46089342 0.88329921 1\n C C8 1 0.34967203 0.56120740 0.22428607 1\n C C9 1 0.71690035 1.01454161 0.05302258 1\n C C10 1 0.10393344 1.05935467 0.22404576 1\n C C11 1 0.49796334 0.85736337 0.69789571 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42956000\n_cell_length_b 4.16198000\n_cell_length_c 5.68422000\n_cell_angle_alpha 50.34420000\n_cell_angle_beta 94.29656000\n_cell_angle_gamma 84.65917000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.37773927\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26447323 0.26413167 1.10417611 1\n C C1 1 0.15220775 0.70824998 0.88101703 1\n C C2 1 0.48553995 0.37496588 0.54777793 1\n C C3 1 0.93106874 0.59749280 0.43744194 1\n C C4 1 0.59774616 -0.06922726 0.77075392 1\n C C5 1 0.81889037 1.04162934 0.21442767 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51178000\n_cell_length_b 6.35487000\n_cell_length_c 5.04630000\n_cell_angle_alpha 120.88233000\n_cell_angle_beta 96.54192000\n_cell_angle_gamma 80.15849000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.07922882\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01074217 0.61479240 0.52040983 1\n C C1 1 0.29997294 0.92262404 0.41262985 1\n C C2 1 0.19618687 0.33899924 0.42352172 1\n C C3 1 0.20366935 0.90857748 0.09556235 1\n C C4 1 0.76291754 0.30460334 0.57093045 1\n C C5 1 0.44832094 0.66285751 0.38387944 1\n C C6 1 -0.02026614 0.71624938 0.86400338 1\n C C7 1 0.76323550 0.07114361 0.58626530 1\n C C8 1 0.20483962 0.14381910 1.08620584 1\n C C9 1 0.47113980 0.46732269 0.04436320 1\n C C10 1 0.66138107 0.18975566 -0.05398229 1\n C C11 1 0.90581775 0.50228695 -0.10336608 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44631000\n_cell_length_b 6.22465000\n_cell_length_c 5.96311000\n_cell_angle_alpha 115.12436000\n_cell_angle_beta 105.77829000\n_cell_angle_gamma 93.79585000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.37556110\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21013166 0.57914641 0.09357500 1\n C C1 1 0.95645766 0.02692201 0.15132450 1\n C C2 1 0.70942136 0.25095133 0.57069123 1\n C C3 1 0.53693842 0.02766493 0.29607243 1\n C C4 1 0.14479814 0.57882943 0.52991606 1\n C C5 1 0.48657768 0.80481722 0.34744879 1\n C C6 1 0.32033014 0.25072326 0.72566085 1\n C C7 1 0.09752904 0.80495747 0.50215120 1\n C C8 1 0.85467461 0.02599669 0.91983339 1\n C C9 1 0.65335441 0.47704380 0.54242360 1\n C C10 1 0.59968336 0.47689541 -0.02006971 1\n C C11 1 0.27413173 1.02671142 0.77624065 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56289000\n_cell_length_b 5.95694000\n_cell_length_c 7.01864000\n_cell_angle_alpha 69.57637000\n_cell_angle_beta 68.60149000\n_cell_angle_gamma 79.83504000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.34679216\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26120128 0.19813813 0.99745270 1\n C C1 1 0.51431842 0.08812046 0.80451748 1\n C C2 1 0.24488633 0.65609402 0.44359440 1\n C C3 1 0.80172376 0.83945697 0.10633223 1\n C C4 1 0.03109320 0.45019471 0.62623844 1\n C C5 1 0.48274163 0.37843492 0.23221347 1\n C C6 1 0.18644394 0.95929817 0.16526668 1\n C C7 1 0.63405025 0.59375847 0.25899004 1\n C C8 1 0.62185518 0.30834401 0.60424460 1\n C C9 1 0.02883250 0.92642075 0.85952434 1\n C C10 1 0.22580401 0.72553914 0.76120329 1\n C C11 1 0.37871345 0.83833626 0.51865207 1\n C C12 1 0.76697686 0.56159484 0.80945439 1\n C C13 1 0.96364389 0.89630618 0.40360994 1\n C C14 1 0.87357079 0.34736259 0.35592394 1\n C C15 1 0.68577731 0.34215438 1.01118520 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47468000\n_cell_length_b 4.80407000\n_cell_length_c 4.80475000\n_cell_angle_alpha 61.94763000\n_cell_angle_beta 104.91599000\n_cell_angle_gamma 75.06613000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.64393223\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26005439 0.00191740 0.77972333 1\n C C1 1 -0.07331247 0.58549538 0.69618531 1\n C C2 1 0.92674805 0.77220750 0.88359287 1\n C C3 1 0.26014658 0.68908249 0.46677215 1\n C C4 1 -0.07343671 0.08555631 0.19613360 1\n C C5 1 0.92670660 0.27227102 0.38355720 1\n C C6 1 0.26009331 0.18903876 -0.03326673 1\n C C7 1 0.26007514 0.50197004 0.27975577 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44932000\n_cell_length_b 3.17125000\n_cell_length_c 5.69734000\n_cell_angle_alpha 90.71563000\n_cell_angle_beta 90.68493000\n_cell_angle_gamma 68.86992000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.12464776\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33485721 0.61823411 0.50086517 1\n C C1 1 0.83998922 0.11434558 0.73107204 1\n C C2 1 0.33545505 0.61870004 0.96159029 1\n C C3 1 0.02238122 0.93283283 0.11224859 1\n C C4 1 0.70707796 0.24614013 -0.03855842 1\n C C5 1 0.20100419 0.74930108 0.73111375 1\n C C6 1 0.70641261 0.24584598 0.50062177 1\n C C7 1 0.02150744 -0.06747995 0.35059451 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43813000\n_cell_length_b 4.88551000\n_cell_length_c 6.53368000\n_cell_angle_alpha 84.92386000\n_cell_angle_beta 79.28163000\n_cell_angle_gamma 60.03749000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.24749531\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42890262 1.06263836 0.28991126 1\n C C1 1 0.35211656 0.51279394 0.54706175 1\n C C2 1 0.15816795 0.51847904 0.92607242 1\n C C3 1 0.35671607 1.01993557 0.51995053 1\n C C4 1 0.52883841 0.17853027 0.86119572 1\n C C5 1 0.69986569 0.66992879 0.53555962 1\n C C6 1 0.49457895 0.67578752 -0.06097051 1\n C C7 1 -0.02222547 0.06560079 0.18560628 1\n C C8 1 1.13483427 0.02592207 0.95450152 1\n C C9 1 0.65555697 0.17476405 0.61310599 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.66383000\n_cell_length_b 3.62907000\n_cell_length_c 5.34070000\n_cell_angle_alpha 89.94927000\n_cell_angle_beta 90.03092000\n_cell_angle_gamma 105.85515000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.30989504\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24859984 0.60802159 0.71992204 1\n C C1 1 0.97310808 0.24586583 0.72010812 1\n C C2 1 0.74798871 0.10892474 0.91431516 1\n C C3 1 0.48684217 0.56764069 0.16306392 1\n C C4 1 0.61008497 0.92703264 0.33341528 1\n C C5 1 0.73390223 0.28883168 0.16282257 1\n C C6 1 0.47242536 0.74666594 0.91438826 1\n C C7 1 -0.01306632 0.06695074 0.47164343 1\n C C8 1 0.11012775 0.42686717 0.30163276 1\n C C9 1 0.23388100 0.78815417 0.47168787 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48742000\n_cell_length_b 3.51902000\n_cell_length_c 5.56242000\n_cell_angle_alpha 108.46026000\n_cell_angle_beta 132.12732000\n_cell_angle_gamma 89.99210000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.65630839\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63330919 0.52917853 0.23384334 1\n C C1 1 1.13349906 0.77933824 0.23393874 1\n C C2 1 0.13357696 0.44601490 0.56727466 1\n C C3 1 0.63337949 0.19583013 0.56717336 1\n C C4 1 0.13355431 0.11272902 0.90062461 1\n C C5 1 0.63335939 0.86255118 0.90052628 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44608000\n_cell_length_b 5.98235000\n_cell_length_c 4.85301000\n_cell_angle_alpha 113.39609000\n_cell_angle_beta 104.63166000\n_cell_angle_gamma 65.79500000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.10370857\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31099646 0.20900214 0.67384749 1\n C C1 1 1.14220566 0.59664602 1.10894133 1\n C C2 1 0.81063910 0.49293754 0.23676675 1\n C C3 1 1.04377593 0.20792578 0.13325143 1\n C C4 1 0.30032264 1.04886341 0.33038964 1\n C C5 1 0.82324343 0.65281902 0.58001482 1\n C C6 1 0.95941866 0.87778483 0.30441439 1\n C C7 1 0.07949124 0.49395408 0.77749304 1\n C C8 1 0.97932142 1.10536989 0.80182666 1\n C C9 1 0.16434005 0.82406078 0.60660936 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47754000\n_cell_length_b 4.75985000\n_cell_length_c 8.20087000\n_cell_angle_alpha 81.44675000\n_cell_angle_beta 90.00146000\n_cell_angle_gamma 90.00533000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 95.63494456\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.19566035 0.34581058 0.12440685 1\n C C1 1 0.19552744 0.20908944 0.29630524 1\n C C2 1 0.69580853 0.68493212 0.36622319 1\n C C3 1 0.19582326 0.76098216 0.27975347 1\n C C4 1 0.69559572 0.23444917 0.38354151 1\n C C5 1 0.69553470 0.54699541 0.89330628 1\n C C6 1 0.69578423 0.73440963 0.53579434 1\n C C7 1 0.69560225 0.29744968 0.02890355 1\n C C8 1 0.69589590 0.77417793 1.00414511 1\n C C9 1 0.19548799 0.49773793 0.79556818 1\n C C10 1 0.19587586 0.69382429 0.10919246 1\n C C11 1 0.69554011 0.07384457 0.54861429 1\n C C12 1 0.19576284 0.69876097 0.63911571 1\n C C13 1 1.19574488 0.15504816 0.81075676 1\n C C14 1 0.69580403 0.07292897 0.91724269 1\n C C15 1 0.19553250 0.03274299 0.65326555 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.70054000\n_cell_length_b 4.27662000\n_cell_length_c 4.46788000\n_cell_angle_alpha 111.56840000\n_cell_angle_beta 118.88371000\n_cell_angle_gamma 96.74389000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.66557472\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35195491 0.08812052 0.06636426 1\n C C1 1 0.80554558 0.08495213 0.33430437 1\n C C2 1 0.42269939 0.40980730 -0.00140575 1\n C C3 1 1.02383301 0.74960832 0.69881566 1\n C C4 1 0.21355686 0.16669808 0.34403714 1\n C C5 1 0.56078672 0.33128224 0.72062662 1\n C C6 1 -0.03089418 0.41294027 0.73057934 1\n C C7 1 0.75100712 0.74833764 0.36621126 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53329000\n_cell_length_b 3.76824000\n_cell_length_c 5.05240000\n_cell_angle_alpha 90.14385000\n_cell_angle_beta 89.91574000\n_cell_angle_gamma 89.96365000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.23022231\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27128072 -0.04555195 0.34916562 1\n C C1 1 0.26940947 0.14548147 0.88884704 1\n C C2 1 0.77041867 0.44983616 0.50945181 1\n C C3 1 0.77062273 0.84829857 0.50859760 1\n C C4 1 0.27049517 0.46835694 0.07311133 1\n C C5 1 0.76968203 0.14666882 0.71837769 1\n C C6 1 0.27051216 0.82423309 0.07282930 1\n C C7 1 1.27103634 0.34289570 0.34962781 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.83591000\n_cell_length_b 4.07186000\n_cell_length_c 4.92845000\n_cell_angle_alpha 64.03306000\n_cell_angle_beta 71.00681000\n_cell_angle_gamma 60.45679000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.07439308\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18040838 0.80596840 0.14413812 1\n C C1 1 0.23965852 0.24415624 0.64410901 1\n C C2 1 0.58884830 0.59124041 0.95284573 1\n C C3 1 0.62066229 0.86366174 0.64420477 1\n C C4 1 1.02835716 0.64901453 0.45277542 1\n C C5 1 -0.03088565 0.21074688 0.95282595 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47966000\n_cell_length_b 3.88095000\n_cell_length_c 6.40817000\n_cell_angle_alpha 72.33404000\n_cell_angle_beta 78.81974000\n_cell_angle_gamma 89.99093000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.53158339\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87112241 0.63026058 0.90453971 1\n C C1 1 0.43722724 0.80387640 0.77274234 1\n C C2 1 0.11895467 0.38104898 0.40418583 1\n C C3 1 0.11903581 0.97806879 0.40398005 1\n C C4 1 0.78074985 0.83882973 0.08392924 1\n C C5 1 0.20937334 0.76915736 0.22491236 1\n C C6 1 0.87099492 0.22714234 0.90458963 1\n C C7 1 0.55217616 0.42246573 0.53604911 1\n C C8 1 0.55235214 0.80520251 0.53586120 1\n C C9 1 0.43712346 0.18594958 0.77287244 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52385000\n_cell_length_b 4.36918000\n_cell_length_c 4.44446000\n_cell_angle_alpha 106.07282000\n_cell_angle_beta 99.02362000\n_cell_angle_gamma 85.86454000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.48987978\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32986174 0.47400206 0.77252571 1\n C C1 1 0.10410165 0.45149257 0.42911146 1\n C C2 1 0.90376059 0.72034744 0.30013936 1\n C C3 1 0.38290090 0.92694615 0.40871513 1\n C C4 1 0.15596759 0.16402675 0.24453286 1\n C C5 1 0.40806436 0.10625622 0.75863135 1\n C C6 1 0.86683937 0.65363825 0.93388536 1\n C C7 1 0.94486591 1.01330405 0.91398268 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44025000\n_cell_length_b 4.60161000\n_cell_length_c 6.38863000\n_cell_angle_alpha 85.48787000\n_cell_angle_beta 88.50318000\n_cell_angle_gamma 104.92752000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.02242793\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27509430 0.82695562 0.90737283 1\n C C1 1 0.73990057 0.79794591 0.39374741 1\n C C2 1 0.19422462 0.71850274 0.51516568 1\n C C3 1 0.54072463 0.36065671 0.01910595 1\n C C4 1 1.11601255 0.50780118 -0.01512917 1\n C C5 1 0.37223181 0.03123295 0.08597517 1\n C C6 1 0.45414103 0.24150165 0.61594892 1\n C C7 1 0.29324489 0.92240722 0.69515782 1\n C C8 1 -0.17534424 -0.04841600 0.20734521 1\n C C9 1 0.02909245 0.38864480 0.58093568 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29103000\n_cell_length_b 3.62936000\n_cell_length_c 4.19273000\n_cell_angle_alpha 98.73575000\n_cell_angle_beta 100.76463000\n_cell_angle_gamma 110.93861000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.62579837\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88936465 0.00076733 0.63344498 1\n C C1 1 0.19409618 0.65314832 0.94491287 1\n C C2 1 0.38530693 0.05701399 0.13391650 1\n C C3 1 0.69737029 0.21528257 0.44318575 1\n C C4 1 -0.11174032 0.61908043 0.63253949 1\n C C5 1 0.19313238 0.27129536 0.94357292 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45416000\n_cell_length_b 6.59122000\n_cell_length_c 7.99663000\n_cell_angle_alpha 77.03604000\n_cell_angle_beta 107.84333000\n_cell_angle_gamma 100.77811000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 119.01301709\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47179222 0.54411279 0.73423971 1\n C C1 1 0.55909428 0.19401275 0.99533840 1\n C C2 1 0.34739795 0.42955539 0.16065452 1\n C C3 1 0.03808062 0.06087765 0.04055088 1\n C C4 1 0.07826912 0.63632499 0.79414686 1\n C C5 1 0.19263610 0.95893394 0.24454227 1\n C C6 1 0.59873005 0.11580098 0.57291280 1\n C C7 1 0.28926510 0.57228165 0.53482183 1\n C C8 1 -0.29396308 0.57965603 0.44716458 1\n C C9 1 0.87180104 0.84344500 0.98107277 1\n C C10 1 0.99512090 0.07059844 0.49211184 1\n C C11 1 0.02864004 0.74298252 0.18591313 1\n C C12 1 0.76124110 0.35481350 0.11238886 1\n C C13 1 0.80403171 -0.00107038 0.33695289 1\n C C14 1 0.39859721 0.28636400 0.79035978 1\n C C15 1 0.78700646 0.21515923 0.71367039 1\n C C16 1 0.25758370 0.78347689 0.89690154 1\n C C17 1 0.52730697 0.61768613 0.24716906 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.62318000\n_cell_length_b 3.66301000\n_cell_length_c 4.72593000\n_cell_angle_alpha 112.52459000\n_cell_angle_beta 71.61574000\n_cell_angle_gamma 89.02323000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.30987658\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36415965 0.33044677 0.70161727 1\n C C1 1 0.50568076 0.66936350 0.37870084 1\n C C2 1 0.50808756 0.04314943 0.37809892 1\n C C3 1 0.36647283 0.70484579 0.70186805 1\n C C4 1 0.24987241 0.13435085 0.93383914 1\n C C5 1 0.62206700 0.24114886 0.14686756 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48090000\n_cell_length_b 5.46673000\n_cell_length_c 5.61925000\n_cell_angle_alpha 119.11897000\n_cell_angle_beta 116.21278000\n_cell_angle_gamma 89.99526000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.44315334\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83657107 0.64472396 0.20567180 1\n C C1 1 0.84972033 0.90056424 0.71935726 1\n C C2 1 0.50587648 0.81589898 0.37466752 1\n C C3 1 0.83602227 1.11044936 0.20525842 1\n C C4 1 0.03447103 0.22715317 0.90408895 1\n C C5 1 0.47766515 0.56154283 0.84791534 1\n C C6 1 0.84934889 0.36870537 0.71899044 1\n C C7 1 0.50513627 0.10780489 0.37411797 1\n C C8 1 0.73684103 0.32837049 0.10698050 1\n C C9 1 0.47770049 0.83661282 0.84804890 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28988000\n_cell_length_b 3.30691000\n_cell_length_c 4.82269000\n_cell_angle_alpha 77.74930000\n_cell_angle_beta 102.23503000\n_cell_angle_gamma 100.28425000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.61586676\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83805799 0.27944051 0.12756098 1\n C C1 1 0.38204610 0.70029965 0.41251845 1\n C C2 1 0.15933095 0.23077325 0.95374576 1\n C C3 1 0.61215473 0.81492579 0.66858898 1\n C C4 1 1.05379282 0.37298659 0.41233155 1\n C C5 1 0.47429383 0.91544748 0.12765427 1\n C C6 1 0.52299993 0.59460191 0.95370922 1\n C C7 1 0.94039135 0.14182972 0.66849280 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47198000\n_cell_length_b 3.23042000\n_cell_length_c 6.04003000\n_cell_angle_alpha 110.92292000\n_cell_angle_beta 78.10810000\n_cell_angle_gamma 67.56086000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.22691106\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58177304 0.20110014 0.02078045 1\n C C1 1 0.97406315 0.63255622 0.80251314 1\n C C2 1 1.00754101 0.78511484 0.58245086 1\n C C3 1 0.61472008 0.35327652 0.80099756 1\n C C4 1 -0.07161296 0.35451079 0.17377808 1\n C C5 1 0.66050339 0.63254368 0.42943380 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46840000\n_cell_length_b 3.37407000\n_cell_length_c 6.14440000\n_cell_angle_alpha 58.09048000\n_cell_angle_beta 78.40763000\n_cell_angle_gamma 68.54006000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.42731154\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22761744 0.90232054 0.49532969 1\n C C1 1 0.70255079 0.07750020 0.37201738 1\n C C2 1 0.27024556 0.54859302 0.76966689 1\n C C3 1 0.66301399 0.43016869 0.09750377 1\n C C4 1 0.07601076 0.72878348 0.97300109 1\n C C5 1 0.85725186 0.25011447 0.89425068 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42926000\n_cell_length_b 2.42974000\n_cell_length_c 8.48487000\n_cell_angle_alpha 98.76229000\n_cell_angle_beta 94.07389000\n_cell_angle_gamma 59.99578000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.86322250\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14678023 -0.03548615 0.83684668 1\n C C1 1 0.47175752 0.63186485 0.50183687 1\n C C2 1 0.13913706 0.29799791 0.50154607 1\n C C3 1 0.19529849 1.04372317 0.16914769 1\n C C4 1 0.47938255 0.29814043 0.83650212 1\n C C5 1 0.86148865 0.71041100 0.16915227 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52408000\n_cell_length_b 4.36717000\n_cell_length_c 4.44921000\n_cell_angle_alpha 73.87904000\n_cell_angle_beta 80.84363000\n_cell_angle_gamma 85.87811000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.49530756\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62782185 0.24297360 0.16237673 1\n C C1 1 -0.14841019 0.26548262 0.81854148 1\n C C2 1 0.38894090 0.44487690 0.65745835 1\n C C3 1 0.93104724 0.89745928 0.83350481 1\n C C4 1 0.68154600 0.95560032 0.34726783 1\n C C5 1 0.42758513 0.51159562 0.29184870 1\n C C6 1 0.46874795 0.80463305 0.67798240 1\n C C7 1 0.90721871 0.71845632 0.18295320 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48176000\n_cell_length_b 3.68993000\n_cell_length_c 4.21818000\n_cell_angle_alpha 75.22767000\n_cell_angle_beta 90.03218000\n_cell_angle_gamma 70.34600000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01683147\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60684283 0.35589928 0.46145803 1\n C C1 1 0.02832364 0.51305084 0.59225683 1\n C C2 1 0.28450714 -0.00318086 0.16345010 1\n C C3 1 0.48216074 0.59875496 0.08845433 1\n C C4 1 1.06027072 0.44235823 0.95726259 1\n C C5 1 0.80380844 0.95851744 0.38573502 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50460000\n_cell_length_b 6.35253000\n_cell_length_c 5.55483000\n_cell_angle_alpha 111.12167000\n_cell_angle_beta 87.24106000\n_cell_angle_gamma 95.25084000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.08585778\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53761249 0.53978490 0.16424183 1\n C C1 1 0.65963280 0.04087726 0.25236800 1\n C C2 1 0.35389909 0.23126125 0.83136050 1\n C C3 1 0.10778374 0.63912904 0.55263746 1\n C C4 1 0.58002666 0.61298374 0.96353360 1\n C C5 1 1.07968870 0.40283755 0.56009749 1\n C C6 1 0.62590901 0.68552777 0.42242719 1\n C C7 1 0.33254804 0.31115924 0.09352629 1\n C C8 1 0.54094193 0.40679300 0.72348826 1\n C C9 1 0.19864836 0.01004377 0.65506151 1\n C C10 1 0.13576433 -0.15236519 0.80362137 1\n C C11 1 0.17462622 0.19839004 0.28526140 1\n C C12 1 0.68467224 0.94173016 0.47656484 1\n C C13 1 0.62658338 0.84881126 -0.03295015 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44207000\n_cell_length_b 6.51658000\n_cell_length_c 5.55350000\n_cell_angle_alpha 115.24213000\n_cell_angle_beta 81.88896000\n_cell_angle_gamma 93.34754000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 79.13936845\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08953610 0.85807864 0.81784262 1\n C C1 1 1.05085566 0.31926825 0.22566040 1\n C C2 1 -0.17359931 0.31861149 0.62749380 1\n C C3 1 0.58216605 0.40966268 0.20019754 1\n C C4 1 0.29394879 0.40898487 0.74383488 1\n C C5 1 0.22561181 0.61600266 0.99448699 1\n C C6 1 0.64708486 0.61633547 0.15568655 1\n C C7 1 0.50840145 0.84168100 0.41467281 1\n C C8 1 0.94233441 0.15013889 0.34204451 1\n C C9 1 0.44291637 1.00382886 0.26880772 1\n C C10 1 0.96778918 0.85826782 0.57323321 1\n C C11 1 0.37126133 0.84128548 0.95983427 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48913000\n_cell_length_b 4.97552000\n_cell_length_c 4.97504000\n_cell_angle_alpha 120.01404000\n_cell_angle_beta 59.95275000\n_cell_angle_gamma 120.06274000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.52713525\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11037099 0.10427721 0.44189549 1\n C C1 1 0.11037099 0.60427721 0.44189549 1\n C C2 1 0.86071899 0.22921712 0.81684669 1\n C C3 1 0.86047207 0.72930618 0.31683842 1\n C C4 1 0.11061791 0.60418814 0.94190376 1\n C C5 1 1.11061791 0.10418814 -0.05809624 1\n C C6 1 0.86071899 0.72921712 0.81684669 1\n C C7 1 0.86047207 0.22930618 0.31683842 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45864000\n_cell_length_b 4.56508000\n_cell_length_c 6.71977000\n_cell_angle_alpha 75.11427000\n_cell_angle_beta 85.53556000\n_cell_angle_gamma 71.61909000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.17157578\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47631422 0.21650271 0.67785292 1\n C C1 1 0.29967116 0.58015451 0.65389889 1\n C C2 1 0.74418833 0.97042376 0.37437167 1\n C C3 1 0.88002837 0.45594846 0.37525036 1\n C C4 1 0.76641605 0.54815706 -0.02526856 1\n C C5 1 0.77515420 0.67306175 0.51992281 1\n C C6 1 0.50511658 0.25372654 0.44037949 1\n C C7 1 0.93615647 0.18573705 0.99463696 1\n C C8 1 0.21078193 0.69420077 0.84723510 1\n C C9 1 0.03320531 0.06936879 0.79791763 1\n C C10 1 1.00357413 0.91162995 0.17382629 1\n C C11 1 0.67716816 0.68175924 0.16689195 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49087000\n_cell_length_b 3.59252000\n_cell_length_c 4.35453000\n_cell_angle_alpha 84.31604000\n_cell_angle_beta 106.60291000\n_cell_angle_gamma 110.30407000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02165630\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60588082 0.86544966 -0.05327029 1\n C C1 1 0.42364791 0.12549922 0.32259458 1\n C C2 1 0.71052007 0.49503622 0.52851377 1\n C C3 1 0.23509593 0.12515732 0.94658229 1\n C C4 1 -0.20674667 0.86546985 0.32261191 1\n C C5 1 0.31615635 0.49484702 0.74071074 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05715000\n_cell_length_b 2.43244000\n_cell_length_c 8.38676000\n_cell_angle_alpha 89.99389000\n_cell_angle_beta 93.22535000\n_cell_angle_gamma 112.30497000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.59362701\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04249407 0.03818379 0.82239365 1\n C C1 1 -0.04206667 0.53847408 0.73904014 1\n C C2 1 0.92379553 0.02366765 0.48818058 1\n C C3 1 0.90675912 1.01572086 0.32122051 1\n C C4 1 0.94054049 0.03200611 -0.01127144 1\n C C5 1 0.92410419 0.52425476 0.07169850 1\n C C6 1 0.90747844 0.51620179 0.23777244 1\n C C7 1 -0.06111154 0.53069585 0.57170363 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48767000\n_cell_length_b 4.30415000\n_cell_length_c 4.30408000\n_cell_angle_alpha 48.19427000\n_cell_angle_beta 73.21355000\n_cell_angle_gamma 73.21340000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.58770168\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04324529 0.25889297 0.90941554 1\n C C1 1 0.62316723 0.59221588 0.24272241 1\n C C2 1 0.12316407 0.34233151 0.49260469 1\n C C3 1 -0.21003651 0.67568068 0.82593085 1\n C C4 1 0.28995529 -0.07445620 0.57608938 1\n C C5 1 0.45675155 1.00900860 0.15929782 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31120000\n_cell_length_b 5.16060000\n_cell_length_c 4.97726000\n_cell_angle_alpha 72.55962000\n_cell_angle_beta 90.35268000\n_cell_angle_gamma 65.45742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.96850252\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12429726 0.06151591 0.43866141 1\n C C1 1 0.81172668 0.26683470 0.55272459 1\n C C2 1 0.33317760 0.74868903 0.55203403 1\n C C3 1 0.08233288 0.50403693 0.03240598 1\n C C4 1 0.77135522 0.70950575 0.14677483 1\n C C5 1 0.24758495 0.18890723 0.18072120 1\n C C6 1 0.56212329 0.02247566 0.03317038 1\n C C7 1 0.64721365 0.58196151 0.40448263 1\n C C8 1 0.29944649 0.53369960 0.79382147 1\n C C9 1 0.59233058 0.23850847 0.79047398 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42715000\n_cell_length_b 5.48714000\n_cell_length_c 6.33460000\n_cell_angle_alpha 84.53457000\n_cell_angle_beta 78.90014000\n_cell_angle_gamma 103.07125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 79.78713043\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78031218 0.39987725 0.58584960 1\n C C1 1 0.04627823 0.28182545 0.92386128 1\n C C2 1 1.12378224 0.94419861 0.41814000 1\n C C3 1 0.84541188 0.83111955 0.87048110 1\n C C4 1 0.45879283 0.21772303 0.03359161 1\n C C5 1 0.71811483 0.81590995 0.11077649 1\n C C6 1 0.93863375 0.49411958 0.36274101 1\n C C7 1 0.25765579 -0.03918172 0.17721787 1\n C C8 1 0.52530433 0.55906398 0.25406922 1\n C C9 1 0.40848718 0.85317921 0.75952278 1\n C C10 1 0.55824979 0.92015087 0.52939551 1\n C C11 1 1.20633056 0.37445682 0.70035674 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.23314000\n_cell_length_b 4.27854000\n_cell_length_c 6.53687000\n_cell_angle_alpha 51.49973000\n_cell_angle_beta 63.23200000\n_cell_angle_gamma 58.07676000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.05591289\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18842356 0.62666373 0.86482182 1\n C C1 1 0.26952093 0.46106689 0.40060021 1\n C C2 1 0.10660471 -0.07545507 0.25148119 1\n C C3 1 0.90857102 0.36183152 0.63193280 1\n C C4 1 0.81534231 0.99916221 0.86472331 1\n C C5 1 0.54795517 0.72580822 0.63297542 1\n C C6 1 0.64213695 0.08841220 0.40033126 1\n C C7 1 0.35133986 0.16334341 0.01391099 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.07884000\n_cell_length_b 3.34203000\n_cell_length_c 5.99219000\n_cell_angle_alpha 108.24397000\n_cell_angle_beta 103.25365000\n_cell_angle_gamma 99.04815000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.15651449\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28330722 0.09636338 0.88261675 1\n C C1 1 0.80047166 0.61048923 0.91886288 1\n C C2 1 0.62526625 0.44287231 0.27473149 1\n C C3 1 0.35743509 0.17060507 0.51599755 1\n C C4 1 0.67198625 0.48255961 0.66388231 1\n C C5 1 0.11629213 0.92963444 1.03089644 1\n C C6 1 0.83791655 0.65299019 0.51628121 1\n C C7 1 1.15551551 -0.03174753 0.62753680 1\n C C8 1 0.32695050 0.14620051 0.27326854 1\n C C9 1 0.59742524 0.41014698 1.03076042 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.74746000\n_cell_length_b 4.20130000\n_cell_length_c 7.18259000\n_cell_angle_alpha 77.09255000\n_cell_angle_beta 61.01447000\n_cell_angle_gamma 92.23787000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 94.97037432\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51362048 0.98241624 0.63862254 1\n C C1 1 0.57832568 0.36086319 0.20612780 1\n C C2 1 -0.13675919 0.19856842 0.41730175 1\n C C3 1 0.82263655 0.55658523 0.43584859 1\n C C4 1 0.65614591 1.05348251 0.79513868 1\n C C5 1 0.63698397 0.65824250 0.28236923 1\n C C6 1 0.12305102 0.48751651 0.65409061 1\n C C7 1 0.99367945 0.91379464 0.11703194 1\n C C8 1 0.21216424 0.72475285 0.42613887 1\n C C9 1 0.49521345 0.60603317 0.65867276 1\n C C10 1 0.96718388 0.23161234 0.16893307 1\n C C11 1 0.22339758 0.09698156 0.41776511 1\n C C12 1 0.14234853 0.12333381 0.64272154 1\n C C13 1 0.64326745 0.41249730 0.80937525 1\n C C14 1 0.40263740 0.45688272 0.03949675 1\n C C15 1 0.35683480 -0.18727059 1.00278151 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41371000\n_cell_length_b 3.41336000\n_cell_length_c 5.41310000\n_cell_angle_alpha 98.87038000\n_cell_angle_beta 98.83427000\n_cell_angle_gamma 93.89117000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.30962898\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.16502268 0.06458023 0.13694066 1\n C C1 1 0.54007464 0.91872660 0.29697907 1\n C C2 1 0.42167911 0.80149906 0.52908984 1\n C C3 1 0.37210904 0.26820933 -0.03904882 1\n C C4 1 1.17453086 0.55158598 0.80868470 1\n C C5 1 -0.10873923 0.75018734 -0.03895105 1\n C C6 1 0.68661017 0.54230317 0.13659096 1\n C C7 1 0.52160646 0.89939903 0.81368009 1\n C C8 1 0.13116787 0.51018394 0.52951924 1\n C C9 1 0.88986410 0.26767553 0.30182612 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48412000\n_cell_length_b 3.82218000\n_cell_length_c 5.22400000\n_cell_angle_alpha 81.30109000\n_cell_angle_beta 89.96127000\n_cell_angle_gamma 71.03385000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.30583182\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50719195 0.76961767 0.23182403 1\n C C1 1 0.87965374 1.02517416 0.56082292 1\n C C2 1 -0.06495796 0.91669575 0.84760942 1\n C C3 1 0.30559495 0.17298478 0.17573137 1\n C C4 1 1.05324450 0.67570809 0.39685083 1\n C C5 1 0.75989358 0.26657486 0.01108095 1\n C C6 1 0.26927028 0.24743098 0.45538902 1\n C C7 1 0.54557698 0.69421882 0.95242616 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44066000\n_cell_length_b 4.60155000\n_cell_length_c 6.40683000\n_cell_angle_alpha 85.20281000\n_cell_angle_beta 91.51607000\n_cell_angle_gamma 75.06810000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.19455177\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20953584 0.09218075 0.44412765 1\n C C1 1 0.22751391 0.99516311 0.65573729 1\n C C2 1 1.13142084 0.19788074 0.83409038 1\n C C3 1 0.67957034 0.11811535 0.95544395 1\n C C4 1 1.04849639 0.41184736 0.36515291 1\n C C5 1 0.47358664 0.55907199 0.33042154 1\n C C6 1 0.38647073 0.67543505 0.73357827 1\n C C7 1 0.76301313 0.96883384 0.14330208 1\n C C8 1 0.30870718 0.88951557 0.26473962 1\n C C9 1 0.96204032 0.52806212 0.76773581 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50769000\n_cell_length_b 2.41486000\n_cell_length_c 8.11712000\n_cell_angle_alpha 98.47773000\n_cell_angle_beta 98.63421000\n_cell_angle_gamma 90.08518000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.05288952\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69986600 0.17622898 0.47753472 1\n C C1 1 0.00787528 0.48672932 0.10522496 1\n C C2 1 0.95156879 0.92810558 -0.01246985 1\n C C3 1 1.39819966 0.87401877 0.87911767 1\n C C4 1 0.79353219 0.26691926 0.66003181 1\n C C5 1 1.34304680 0.31360605 0.76141212 1\n C C6 1 0.64810776 0.63112803 0.38873384 1\n C C7 1 0.55604472 0.53866112 0.20660104 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45821000\n_cell_length_b 5.28141000\n_cell_length_c 6.26239000\n_cell_angle_alpha 66.38678000\n_cell_angle_beta 78.65861000\n_cell_angle_gamma 89.98711000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.76153356\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66336460 0.61370835 0.58967474 1\n C C1 1 1.11791835 0.93743553 0.68320876 1\n C C2 1 0.37510557 0.06134565 0.16129027 1\n C C3 1 0.51087301 0.19821597 0.89548750 1\n C C4 1 0.68791433 0.91869327 0.54279963 1\n C C5 1 0.00530267 0.62705222 0.90688665 1\n C C6 1 0.08122117 0.18021270 0.75439043 1\n C C7 1 0.81675306 0.05379809 0.27709959 1\n C C8 1 0.31649199 0.54618456 0.27787610 1\n C C9 1 0.53417831 0.50326898 0.84949038 1\n C C10 1 0.87526994 0.57081392 0.16151282 1\n C C11 1 0.19241701 0.49031034 0.53232902 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48499000\n_cell_length_b 3.82355000\n_cell_length_c 5.98489000\n_cell_angle_alpha 120.39186000\n_cell_angle_beta 78.02702000\n_cell_angle_gamma 108.95174000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.32734959\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48687107 0.25888681 1.04629342 1\n C C1 1 0.19247135 0.05503586 0.43346428 1\n C C2 1 0.73852531 0.98363869 0.26842142 1\n C C3 1 0.36651065 0.56721324 0.59627979 1\n C C4 1 -0.05891797 0.33015905 0.21116899 1\n C C5 1 0.70103647 0.62956048 -0.01115014 1\n C C6 1 -0.02307522 0.68345004 0.49024211 1\n C C7 1 0.31123684 0.74585234 0.88293761 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48454000\n_cell_length_b 4.67978000\n_cell_length_c 4.08575000\n_cell_angle_alpha 96.63146000\n_cell_angle_beta 89.99593000\n_cell_angle_gamma 74.53426000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45528869\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38298459 0.59708815 0.96460041 1\n C C1 1 0.49688194 0.36904130 0.20651042 1\n C C2 1 0.99845664 0.36636184 0.43167308 1\n C C3 1 0.88231775 0.59893543 0.73760821 1\n C C4 1 0.16969242 1.02533999 0.49966720 1\n C C5 1 0.22519510 0.91074282 0.14381620 1\n C C6 1 0.71249622 0.93968015 0.66999412 1\n C C7 1 0.65281253 0.05558241 1.02543535 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31769000\n_cell_length_b 5.74156000\n_cell_length_c 5.64132000\n_cell_angle_alpha 104.15320000\n_cell_angle_beta 92.99408000\n_cell_angle_gamma 114.47379000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.38979700\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31108628 0.47899201 0.59758330 1\n C C1 1 -0.12032884 0.24332502 0.61212468 1\n C C2 1 1.12954973 0.54210574 0.20924466 1\n C C3 1 0.78599007 0.71382025 0.99633694 1\n C C4 1 0.70474557 0.44191933 0.01718656 1\n C C5 1 0.89874706 -0.00336088 0.42326063 1\n C C6 1 0.63365040 0.74446536 0.76109678 1\n C C7 1 0.44202394 -0.05244195 0.82732084 1\n C C8 1 0.25485009 0.14199172 0.25631765 1\n C C9 1 0.22477185 0.31295262 0.08754146 1\n C C10 1 0.02457967 0.56680786 0.45393876 1\n C C11 1 0.81098181 0.22080392 0.86433602 1\n C C12 1 0.27924195 -0.08507687 0.07288324 1\n C C13 1 0.52154365 0.79424262 1.19458539 1\n C C14 1 1.02701542 0.83442955 0.60608781 1\n C C15 1 0.59547596 0.34685281 0.47224957 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42781000\n_cell_length_b 5.73806000\n_cell_length_c 6.29146000\n_cell_angle_alpha 109.01495000\n_cell_angle_beta 89.99370000\n_cell_angle_gamma 114.98454000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.13590114\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74264142 0.47416063 0.33414456 1\n C C1 1 0.61182776 0.34270224 0.65654866 1\n C C2 1 0.37202143 0.60317140 0.26759332 1\n C C3 1 -0.30654656 0.42549374 0.90327904 1\n C C4 1 0.28781525 0.51839662 0.01723611 1\n C C5 1 0.28693368 1.01701593 0.01617884 1\n C C6 1 0.85398279 0.58498768 0.58838642 1\n C C7 1 0.44220254 0.17231279 0.26084697 1\n C C8 1 0.66253207 0.89446811 0.45864399 1\n C C9 1 0.70050403 0.93216482 0.90143076 1\n C C10 1 0.54043042 0.77159782 0.65469617 1\n C C11 1 1.33871048 1.07017801 0.45866506 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45364000\n_cell_length_b 8.10087000\n_cell_length_c 6.30971000\n_cell_angle_alpha 111.74374000\n_cell_angle_beta 93.03120000\n_cell_angle_gamma 113.95484000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 103.36029180\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38767618 0.01257107 0.45613708 1\n C C1 1 0.07855503 0.13139777 0.59643198 1\n C C2 1 0.66369076 0.50999007 0.78939439 1\n C C3 1 0.32959572 0.63027847 0.81766476 1\n C C4 1 0.45263419 0.69343527 0.31054259 1\n C C5 1 0.09730622 0.79267189 0.37349495 1\n C C6 1 0.18946249 0.19319675 0.85524157 1\n C C7 1 0.31380178 1.05018423 0.24641753 1\n C C8 1 0.14857916 0.48161512 0.13749505 1\n C C9 1 0.40947694 0.32106523 0.57207052 1\n C C10 1 0.55085451 0.42833241 0.98070637 1\n C C11 1 1.28709320 0.94929334 -0.01184641 1\n C C12 1 0.62756814 0.14171644 0.95460515 1\n C C13 1 0.94304977 0.30936401 0.20804142 1\n C C14 1 0.60999923 0.82815333 -0.09481853 1\n C C15 1 0.41988858 0.26762080 0.32295207 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43147000\n_cell_length_b 5.23273000\n_cell_length_c 7.96218000\n_cell_angle_alpha 90.87080000\n_cell_angle_beta 93.36977000\n_cell_angle_gamma 93.68249000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 100.90235070\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20049804 0.39040100 0.17590138 1\n C C1 1 0.64341433 0.38296889 0.91151461 1\n C C2 1 0.13640996 0.22855702 0.49550166 1\n C C3 1 0.77372597 0.61146480 0.39958635 1\n C C4 1 0.51663429 0.83438757 0.62265040 1\n C C5 1 0.59849609 0.04930061 0.48485717 1\n C C6 1 1.05566459 0.89768388 0.89067310 1\n C C7 1 -0.03717371 0.66596325 0.58146363 1\n C C8 1 0.53764322 0.88943526 0.80472065 1\n C C9 1 0.12597242 0.38148687 0.82387425 1\n C C10 1 0.09340850 0.90157476 0.06880719 1\n C C11 1 0.68246828 0.38628357 0.08942636 1\n C C12 1 1.07941783 0.40727372 0.64403850 1\n C C13 1 0.65239806 0.87004587 0.33632484 1\n C C14 1 0.21976469 0.44272988 0.35829257 1\n C C15 1 0.61080417 0.90062805 0.15682863 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42906000\n_cell_length_b 3.34852000\n_cell_length_c 5.40731000\n_cell_angle_alpha 91.12001000\n_cell_angle_beta 103.53410000\n_cell_angle_gamma 91.34482000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.73443750\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99117224 0.11849209 0.73515108 1\n C C1 1 0.54822973 0.01115748 0.84704081 1\n C C2 1 0.32492856 0.45320026 0.40219333 1\n C C3 1 0.88163984 0.34426966 0.51379003 1\n C C4 1 0.21425951 0.67362589 0.17899164 1\n C C5 1 0.65762822 0.78320562 0.06766961 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.50970000\n_cell_length_b 4.66430000\n_cell_length_c 4.66877000\n_cell_angle_alpha 76.28463000\n_cell_angle_beta 113.16053000\n_cell_angle_gamma 122.67702000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.11745953\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05199703 0.70808464 0.17199938 1\n C C1 1 1.05061702 0.52055208 0.98358331 1\n C C2 1 1.04857051 0.54617114 0.46104455 1\n C C3 1 0.05307920 0.99891647 1.01148567 1\n C C4 1 0.05019166 0.22989508 0.14462075 1\n C C5 1 0.05347896 0.68263747 0.69427614 1\n C C6 1 1.04867997 0.23445754 0.45628075 1\n C C7 1 0.05332386 -0.00583243 0.69905686 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46425000\n_cell_length_b 3.62412000\n_cell_length_c 8.59080000\n_cell_angle_alpha 98.03878000\n_cell_angle_beta 109.09261000\n_cell_angle_gamma 62.21115000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.13292643\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36810776 0.51576738 0.63452938 1\n C C1 1 0.07657709 0.67948479 0.48104504 1\n C C2 1 0.95029831 0.58895268 0.09516113 1\n C C3 1 0.14078241 0.08215364 0.25946272 1\n C C4 1 0.44044087 0.71666451 0.38318817 1\n C C5 1 -0.04782675 0.22629676 0.96978425 1\n C C6 1 0.31547376 0.26373752 0.87196388 1\n C C7 1 0.44222705 0.35378743 0.25785154 1\n C C8 1 0.25091235 -0.13906422 0.09340883 1\n C C9 1 1.02595676 0.42503821 0.71818245 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42680000\n_cell_length_b 6.33683000\n_cell_length_c 11.35817000\n_cell_angle_alpha 130.91660000\n_cell_angle_beta 96.14884000\n_cell_angle_gamma 101.02885000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 123.02865272\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87283557 0.47896739 0.15901378 1\n C C1 1 0.87614005 0.79056479 0.85072905 1\n C C2 1 0.22448423 0.16136019 0.18153993 1\n C C3 1 0.37487803 0.97996718 0.65941755 1\n C C4 1 -0.16176936 0.89143399 0.67474110 1\n C C5 1 0.58339734 0.96647935 0.09358697 1\n C C6 1 0.37623111 0.29100257 0.35072737 1\n C C7 1 0.72563005 0.66191074 0.68172760 1\n C C8 1 0.08452356 0.46707412 0.59362529 1\n C C9 1 0.47274257 0.73787576 0.10171243 1\n C C10 1 0.43940000 1.15086269 0.61806903 1\n C C11 1 0.43776527 0.83908921 0.92476466 1\n C C12 1 0.93818360 0.33986043 0.42483659 1\n C C13 1 -0.02591631 0.23819466 0.60161645 1\n C C14 1 -0.06211678 0.65040721 0.11805241 1\n C C15 1 0.33587699 0.39016991 0.17411580 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51306000\n_cell_length_b 3.91494000\n_cell_length_c 8.32972000\n_cell_angle_alpha 118.03573000\n_cell_angle_beta 98.68494000\n_cell_angle_gamma 89.99496000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.26932914\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02519490 0.43319062 0.50615842 1\n C C1 1 0.28112319 -0.15775900 0.02511852 1\n C C2 1 0.46773066 0.83294626 0.39475215 1\n C C3 1 0.37429991 0.50473381 0.21019870 1\n C C4 1 0.46777329 0.21157562 0.39465645 1\n C C5 1 0.65238988 0.39540406 0.76750881 1\n C C6 1 0.37415612 0.17142590 0.21004187 1\n C C7 1 0.02519024 0.83390379 0.50625285 1\n C C8 1 0.72391911 0.84136942 -0.08636040 1\n C C9 1 0.72403546 0.24233913 0.91379207 1\n C C10 1 0.28120592 0.46447894 0.02528421 1\n C C11 1 0.09652384 0.27954367 0.65212184 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46190000\n_cell_length_b 5.23587000\n_cell_length_c 5.54286000\n_cell_angle_alpha 65.80451000\n_cell_angle_beta 77.18078000\n_cell_angle_gamma 90.02624000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.21112579\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54647545 0.24087176 0.09538023 1\n C C1 1 1.10538967 0.79487747 0.98807535 1\n C C2 1 0.53622635 0.72867298 0.12580266 1\n C C3 1 0.38514155 0.50746102 0.42022733 1\n C C4 1 -0.03086149 0.18271880 0.24959164 1\n C C5 1 0.67946945 0.42375321 0.83507311 1\n C C6 1 0.87574435 0.33625862 0.43863062 1\n C C7 1 0.25329488 0.55946621 0.68736720 1\n C C8 1 0.25287856 0.86607056 0.68607027 1\n C C9 1 0.81842963 1.02173966 0.55276030 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44424000\n_cell_length_b 3.39120000\n_cell_length_c 7.31892000\n_cell_angle_alpha 98.31792000\n_cell_angle_beta 89.87809000\n_cell_angle_gamma 111.19519000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.88421470\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00110429 0.62202147 0.04178476 1\n C C1 1 0.55070610 0.72279375 0.13159981 1\n C C2 1 0.62065781 0.85870774 0.33114248 1\n C C3 1 0.84211743 0.29805680 0.47103776 1\n C C4 1 0.05405529 0.72709816 0.42703693 1\n C C5 1 0.27566944 0.16612709 0.56652563 1\n C C6 1 0.89343508 0.40803804 0.85470700 1\n C C7 1 0.34145064 0.30499694 0.76532763 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43305000\n_cell_length_b 4.82875000\n_cell_length_c 6.47209000\n_cell_angle_alpha 79.70887000\n_cell_angle_beta 79.22589000\n_cell_angle_gamma 59.65180000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 64.14305576\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31196191 0.08907551 0.64200426 1\n C C1 1 0.59030484 0.50698888 0.26236383 1\n C C2 1 0.98089211 0.44202686 0.60353370 1\n C C3 1 0.96215975 0.93026320 0.65858889 1\n C C4 1 0.29898152 0.57690958 0.69772099 1\n C C5 1 0.04367182 0.49900681 0.36949121 1\n C C6 1 0.23964575 0.52252709 0.93093135 1\n C C7 1 0.69225460 0.51580936 0.03861557 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51952000\n_cell_length_b 5.42800000\n_cell_length_c 4.75510000\n_cell_angle_alpha 98.07551000\n_cell_angle_beta 105.30907000\n_cell_angle_gamma 76.17197000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.69689447\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87052309 0.21557142 0.32432529 1\n C C1 1 0.70636949 0.45404577 0.22784851 1\n C C2 1 0.63653868 0.72330455 0.35472628 1\n C C3 1 0.38996313 0.67975448 0.81892740 1\n C C4 1 0.62397577 0.17200668 0.78884720 1\n C C5 1 0.18966347 0.79762287 0.53735559 1\n C C6 1 0.83572502 0.02920226 1.06626821 1\n C C7 1 0.55339451 0.44174950 0.91666942 1\n C C8 1 0.42553210 0.86610709 1.07675912 1\n C C9 1 0.07085155 0.09743717 0.60602017 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46942000\n_cell_length_b 3.98627000\n_cell_length_c 9.66853000\n_cell_angle_alpha 98.88479000\n_cell_angle_beta 104.58547000\n_cell_angle_gamma 90.05536000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 90.92332203\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20888515 0.96164543 0.96299461 1\n C C1 1 0.21502990 0.23125360 0.47654738 1\n C C2 1 0.67761193 0.02813927 0.43828594 1\n C C3 1 0.92635902 0.13497327 0.68759506 1\n C C4 1 0.54233754 0.78451382 0.30238727 1\n C C5 1 0.35234230 0.17986159 0.10926128 1\n C C6 1 0.68369662 0.76323700 0.93721316 1\n C C7 1 0.37661058 0.29240600 0.63837337 1\n C C8 1 0.30060290 0.59309437 0.56501081 1\n C C9 1 0.63295398 0.43438663 0.88808706 1\n C C10 1 0.80567646 0.80078027 0.56977479 1\n C C11 1 1.10248102 0.23207429 0.85737352 1\n C C12 1 0.89911406 0.32773522 0.15756447 1\n C C13 1 -0.00222534 0.63028766 0.25764557 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53807000\n_cell_length_b 4.26062000\n_cell_length_c 5.28978000\n_cell_angle_alpha 66.23878000\n_cell_angle_beta 75.79793000\n_cell_angle_gamma 89.97329000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.44035115\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41732433 1.01582210 0.86402669 1\n C C1 1 0.13849767 0.20928036 0.42838539 1\n C C2 1 0.56185256 0.63930297 0.57618087 1\n C C3 1 0.29888418 0.39422847 0.10867846 1\n C C4 1 0.56185351 1.00382538 0.57616533 1\n C C5 1 0.41700268 0.33968115 0.86404571 1\n C C6 1 0.13857264 0.58157195 0.42842226 1\n C C7 1 0.29910513 0.71673083 0.10869879 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43220000\n_cell_length_b 4.58539000\n_cell_length_c 5.87594000\n_cell_angle_alpha 67.09781000\n_cell_angle_beta 77.21788000\n_cell_angle_gamma 75.69418000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.91697910\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22081636 0.60316100 0.12331836 1\n C C1 1 0.97078818 0.35203944 0.87429369 1\n C C2 1 0.47081334 0.85203107 0.37427667 1\n C C3 1 0.13751201 0.18476899 0.70874366 1\n C C4 1 0.38754019 0.43589056 0.95776834 1\n C C5 1 0.72082944 0.10317548 0.62336470 1\n C C6 1 -0.11248498 0.93589892 0.45778535 1\n C C7 1 0.63749892 0.68475451 0.20869733 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31835000\n_cell_length_b 3.31950000\n_cell_length_c 5.02785000\n_cell_angle_alpha 68.07703000\n_cell_angle_beta 68.21200000\n_cell_angle_gamma 82.67943000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.70387715\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33829637 1.09741730 0.85439805 1\n C C1 1 0.51570513 0.56927820 0.20582180 1\n C C2 1 0.16187391 0.92201958 0.20546058 1\n C C3 1 0.69239550 0.45631563 0.68848044 1\n C C4 1 0.34918360 0.11398611 0.37207659 1\n C C5 1 0.70757159 0.75770024 0.37172228 1\n C C6 1 1.04871260 0.09804903 0.68874792 1\n C C7 1 0.69147931 0.74391301 0.85503094 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44844000\n_cell_length_b 4.75996000\n_cell_length_c 5.01239000\n_cell_angle_alpha 87.86192000\n_cell_angle_beta 87.96427000\n_cell_angle_gamma 82.25252000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.81581035\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67861980 0.98241126 0.36655294 1\n C C1 1 0.54574096 0.42583682 0.06842124 1\n C C2 1 0.13619613 0.02194283 0.90614393 1\n C C3 1 0.05541561 0.50337776 0.89184793 1\n C C4 1 0.45409468 0.51059126 0.34408178 1\n C C5 1 0.23290029 0.79905258 0.45151078 1\n C C6 1 0.59203373 0.26032202 0.52942412 1\n C C7 1 0.14017028 0.76840222 0.75210219 1\n C C8 1 0.62516304 0.09040445 0.07531240 1\n C C9 1 0.08918568 0.26406110 0.70447048 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48808000\n_cell_length_b 4.30504000\n_cell_length_c 3.51746000\n_cell_angle_alpha 65.89600000\n_cell_angle_beta 90.00408000\n_cell_angle_gamma 73.20294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62199461\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94219676 0.22253563 0.37656022 1\n C C1 1 0.44229607 0.22225963 0.12713099 1\n C C2 1 0.27541394 0.55586968 0.70988991 1\n C C3 1 0.77551182 0.55558751 0.46046097 1\n C C4 1 0.10907890 0.88892559 0.79380130 1\n C C5 1 0.60898101 0.88920775 0.04323024 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48440000\n_cell_length_b 4.08621000\n_cell_length_c 4.67750000\n_cell_angle_alpha 96.66730000\n_cell_angle_beta 74.60912000\n_cell_angle_gamma 89.99940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44884584\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57874019 0.35399842 0.91781282 1\n C C1 1 0.40928956 0.28544923 0.25951563 1\n C C2 1 0.08078995 0.57910255 0.91492440 1\n C C3 1 0.19685978 0.82144280 0.68763738 1\n C C4 1 0.35483075 0.64104344 0.37330837 1\n C C5 1 0.86685957 0.11621315 0.34555667 1\n C C6 1 0.92652230 0.76061219 0.22915716 1\n C C7 1 0.69737491 1.04694891 0.68606857 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34647000\n_cell_length_b 3.84660000\n_cell_length_c 8.72055000\n_cell_angle_alpha 91.60639000\n_cell_angle_beta 84.61996000\n_cell_angle_gamma 73.40215000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 106.92740781\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62243955 0.22110422 0.23326370 1\n C C1 1 0.59105727 0.81983729 0.43872616 1\n C C2 1 0.07609462 0.32984286 1.00866262 1\n C C3 1 0.86991313 0.47877668 0.16560581 1\n C C4 1 0.84142791 0.08140358 0.36701901 1\n C C5 1 0.55239054 0.87474410 0.16559237 1\n C C6 1 1.07679335 0.31434637 0.58720584 1\n C C7 1 0.39598963 0.93611858 1.01055383 1\n C C8 1 0.27154257 0.82680920 0.31313505 1\n C C9 1 0.38455632 1.00359576 0.58731322 1\n C C10 1 0.48193274 0.84085325 0.73209770 1\n C C11 1 0.69249497 -0.00847778 0.86478660 1\n C C12 1 0.18943874 0.47538012 0.28876078 1\n C C13 1 0.91372721 0.42916585 0.43756366 1\n C C14 1 -0.24964893 0.34501663 0.88621117 1\n C C15 1 0.32191863 0.58338334 0.94547479 1\n C C16 1 0.11804029 0.73047894 0.81080521 1\n C C17 1 -0.12211793 0.51216502 0.73375277 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43063000\n_cell_length_b 4.01040000\n_cell_length_c 8.41028000\n_cell_angle_alpha 44.73516000\n_cell_angle_beta 90.00020000\n_cell_angle_gamma 89.96161000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.70122641\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30002220 0.40397138 0.17261263 1\n C C1 1 0.80002497 0.40107402 0.59022037 1\n C C2 1 0.80002497 0.40107402 0.09022037 1\n C C3 1 0.80002220 0.40397138 0.92261263 1\n C C4 1 0.30002220 0.40397138 0.67261263 1\n C C5 1 0.30002497 0.40107402 0.34022037 1\n C C6 1 0.80002220 0.40397138 0.42261263 1\n C C7 1 0.30002497 0.40107402 0.84022037 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.00489000\n_cell_length_b 4.74505000\n_cell_length_c 5.97818000\n_cell_angle_alpha 87.88057000\n_cell_angle_beta 132.35236000\n_cell_angle_gamma 128.68700000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.30851652\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05055473 0.37409772 0.39222210 1\n C C1 1 0.29618909 0.38317887 0.11993752 1\n C C2 1 0.32200649 0.37978050 -0.09486313 1\n C C3 1 0.49885670 1.38065527 0.43481279 1\n C C4 1 0.36537947 0.37332047 0.55930721 1\n C C5 1 0.84774818 0.37655688 0.07725029 1\n C C6 1 0.02450995 0.37729366 0.60687197 1\n C C7 1 0.81433257 0.38287533 0.63844554 1\n C C8 1 0.53201770 0.37401415 0.87345749 1\n C C9 1 0.98120902 0.38381206 0.95274703 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39204000\n_cell_length_b 2.45922000\n_cell_length_c 5.99811000\n_cell_angle_alpha 78.23912000\n_cell_angle_beta 118.05837000\n_cell_angle_gamma 111.09926000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.15784951\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28022376 0.32100774 0.66011522 1\n C C1 1 0.75102100 0.89576967 -0.01804408 1\n C C2 1 0.81943752 0.49293013 0.85464293 1\n C C3 1 0.96599480 0.86954072 0.25752913 1\n C C4 1 0.07026965 0.35831142 0.38448532 1\n C C5 1 1.21036188 0.72264123 0.78697658 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30520000\n_cell_length_b 3.39982000\n_cell_length_c 5.33751000\n_cell_angle_alpha 98.87820000\n_cell_angle_beta 98.34206000\n_cell_angle_gamma 92.60178000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.49131796\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41450623 0.24181062 1.02625913 1\n C C1 1 0.95880400 0.80792839 0.27303180 1\n C C2 1 0.83623941 0.98231129 0.70219650 1\n C C3 1 0.30957781 0.16813367 0.28871548 1\n C C4 1 0.75161371 0.57605969 0.02059043 1\n C C5 1 0.54104809 0.86965099 0.87037984 1\n C C6 1 0.62238336 0.91311548 0.42704288 1\n C C7 1 0.26601057 0.58143644 0.42720967 1\n C C8 1 1.03965163 0.36451320 0.85264472 1\n C C9 1 0.16713439 0.67025352 0.70036314 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.28261000\n_cell_length_b 5.35781000\n_cell_length_c 5.33700000\n_cell_angle_alpha 65.14627000\n_cell_angle_beta 53.21454000\n_cell_angle_gamma 71.78465000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 88.67940192\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21085321 0.15321919 0.43463690 1\n C C1 1 0.05517571 0.19658466 1.09172510 1\n C C2 1 -0.06299884 0.40118509 0.44636049 1\n C C3 1 0.70625665 0.90333553 0.05769349 1\n C C4 1 0.44173257 0.65118457 0.82321393 1\n C C5 1 0.43400865 1.15956725 0.07995657 1\n C C6 1 0.65891479 0.90450533 0.60402800 1\n C C7 1 0.09275086 0.35804884 0.78916532 1\n C C8 1 0.73031300 0.37171375 0.31928615 1\n C C9 1 -0.28600301 0.39499507 0.80088985 1\n C C10 1 -0.08655999 0.91228866 0.22553452 1\n C C11 1 0.19462439 0.65498315 0.19299379 1\n C C12 1 0.95335602 -0.10047866 0.68792685 1\n C C13 1 0.41759016 0.18259690 0.56183184 1\n C C14 1 0.48910893 0.64995346 0.27693172 1\n C C15 1 0.23466090 0.64231641 0.65528087 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45319000\n_cell_length_b 4.06710000\n_cell_length_c 5.96114000\n_cell_angle_alpha 49.74455000\n_cell_angle_beta 78.02933000\n_cell_angle_gamma 90.01543000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.67933713\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75920551 0.51014400 0.79525645 1\n C C1 1 0.33020887 0.59569177 0.65310570 1\n C C2 1 0.06513657 0.43907639 0.18060943 1\n C C3 1 1.02311769 0.66554224 0.26816805 1\n C C4 1 0.49293588 0.79605256 0.32729377 1\n C C5 1 0.59558888 0.30896763 0.12131120 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43242000\n_cell_length_b 6.41182000\n_cell_length_c 6.12276000\n_cell_angle_alpha 68.94027000\n_cell_angle_beta 100.19839000\n_cell_angle_gamma 100.75330000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.91634328\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06599739 0.22151895 0.39045198 1\n C C1 1 0.62293269 0.33247622 0.39123982 1\n C C2 1 0.73197033 0.94253803 0.89022777 1\n C C3 1 0.28945084 0.66647678 0.39020162 1\n C C4 1 0.73263551 0.55452666 0.39083041 1\n C C5 1 0.39876374 0.27519307 0.89139402 1\n C C6 1 0.06523237 0.60923649 0.89017982 1\n C C7 1 0.28892950 0.05330837 0.89125673 1\n C C8 1 0.95572223 0.38705128 0.89099202 1\n C C9 1 0.39909578 0.88854302 0.38973043 1\n C C10 1 0.95599949 0.99973311 0.38995529 1\n C C11 1 0.62199944 0.72069652 0.88993759 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48615000\n_cell_length_b 4.00457000\n_cell_length_c 7.34078000\n_cell_angle_alpha 56.88895000\n_cell_angle_beta 99.75482000\n_cell_angle_gamma 90.00765000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.95219060\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12601237 0.66937831 0.86544486 1\n C C1 1 0.12587006 1.04009546 0.86549040 1\n C C2 1 0.00781090 0.40335600 0.62609335 1\n C C3 1 0.67785929 1.06730256 0.96864663 1\n C C4 1 0.44347040 0.02168161 0.49611335 1\n C C5 1 0.67804941 0.43603544 -0.03128362 1\n C C6 1 0.78630188 0.03693272 0.18336011 1\n C C7 1 0.35389929 -0.09731187 0.31764637 1\n C C8 1 1.00808607 0.78499640 0.62626077 1\n C C9 1 0.44332312 0.42713116 0.49611298 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23866000\n_cell_length_b 4.81035000\n_cell_length_c 4.01601000\n_cell_angle_alpha 69.27634000\n_cell_angle_beta 83.90875000\n_cell_angle_gamma 70.46856000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.17230646\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60243410 0.76112924 0.93873353 1\n C C1 1 0.61357918 0.26091886 0.92873956 1\n C C2 1 0.22347567 0.51435011 0.32105130 1\n C C3 1 0.22434233 1.00581403 0.32062302 1\n C C4 1 0.73891601 0.51444812 0.80451727 1\n C C5 1 0.98384875 0.60419241 0.56458646 1\n C C6 1 0.73988539 0.00619611 0.80348590 1\n C C7 1 0.34785875 0.26100807 0.19331028 1\n C C8 1 0.35761942 0.76190259 0.18145271 1\n C C9 1 -0.01686721 0.91280015 0.56493517 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46650000\n_cell_length_b 3.38342000\n_cell_length_c 6.21330000\n_cell_angle_alpha 122.25572000\n_cell_angle_beta 101.49226000\n_cell_angle_gamma 68.61351000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.82921023\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02293273 0.77573672 0.26430468 1\n C C1 1 0.64622933 -0.07807155 0.66428923 1\n C C2 1 0.46220994 0.49391689 0.86444577 1\n C C3 1 0.50082927 0.69489276 0.13936288 1\n C C4 1 0.05605045 0.97742688 0.53929685 1\n C C5 1 0.87180718 0.54928401 0.73957560 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.69919000\n_cell_length_b 5.86017000\n_cell_length_c 6.61404000\n_cell_angle_alpha 79.81909000\n_cell_angle_beta 81.73120000\n_cell_angle_gamma 65.36797000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 162.45532614\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27686527 1.04014718 0.01348177 1\n C C1 1 0.40512984 1.06600979 0.67179947 1\n C C2 1 0.41373643 0.16452373 0.86176813 1\n C C3 1 0.37328491 0.22047832 0.28634077 1\n C C4 1 0.98854415 -0.23904501 0.28275396 1\n C C5 1 0.95579428 -0.21095378 0.07688239 1\n C C6 1 0.76976574 0.63987477 0.81668649 1\n C C7 1 0.16609850 -0.04136749 0.72440624 1\n C C8 1 0.64647391 0.47740929 0.76695952 1\n C C9 1 0.98444985 -0.04194030 0.56583880 1\n C C10 1 0.54853391 0.31839958 0.91028202 1\n C C11 1 0.76660902 0.67956249 1.01489649 1\n C C12 1 0.18424787 1.10273269 0.22211987 1\n C C13 1 0.12100349 0.91612936 0.93424729 1\n C C14 1 0.45022373 0.20216758 0.47620287 1\n C C15 1 0.18364690 0.86337440 0.36644093 1\n C C16 1 0.78169343 0.69468789 0.44686605 1\n C C17 1 0.76781748 0.81878680 0.63378253 1\n C C18 1 0.56179709 0.32680713 0.13179795 1\n C C19 1 0.64636769 0.53878288 0.18347140 1\n C C20 1 0.51022039 0.66805620 0.37771364 1\n C C21 1 0.68430376 0.46933390 0.54608593 1\n C C22 1 0.84657746 0.27278395 0.24525894 1\n C C23 1 0.75444319 0.22663356 0.47052224 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48465000\n_cell_length_b 4.67645000\n_cell_length_c 4.08733000\n_cell_angle_alpha 83.30269000\n_cell_angle_beta 89.99283000\n_cell_angle_gamma 74.57363000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44500202\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63599058 0.17673916 0.67969394 1\n C C1 1 0.40905698 0.63344068 0.39202411 1\n C C2 1 0.90779797 0.63544798 0.61846135 1\n C C3 1 0.79573708 0.86176462 0.86106891 1\n C C4 1 0.29485733 0.86396296 1.08560516 1\n C C5 1 0.12373267 0.20529111 0.15442810 1\n C C6 1 0.58030015 0.29153053 0.32422649 1\n C C7 1 0.06390624 0.32055557 0.79847175 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43094000\n_cell_length_b 3.75304000\n_cell_length_c 5.90625000\n_cell_angle_alpha 84.91558000\n_cell_angle_beta 73.36950000\n_cell_angle_gamma 58.82763000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.05978621\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52365306 0.45298471 0.72637831 1\n C C1 1 0.52357160 0.78649967 0.05961320 1\n C C2 1 0.52376954 1.11961347 0.39304902 1\n C C3 1 0.85716393 0.22950265 0.50512827 1\n C C4 1 -0.14301303 0.89639512 0.17168423 1\n C C5 1 0.85700260 0.56300378 0.83837136 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52315000\n_cell_length_b 4.58406000\n_cell_length_c 6.45070000\n_cell_angle_alpha 88.80394000\n_cell_angle_beta 80.15978000\n_cell_angle_gamma 104.79154000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.91362118\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10502741 0.97657078 0.55388027 1\n C C1 1 0.52835524 0.53572066 0.39286582 1\n C C2 1 0.12300909 0.56505485 0.25275158 1\n C C3 1 0.29973074 0.32046626 0.59345590 1\n C C4 1 0.64688882 0.32435055 0.95256122 1\n C C5 1 0.60174727 0.88425192 0.43646952 1\n C C6 1 0.48035646 1.01424000 0.03013117 1\n C C7 1 0.35905926 0.77646577 0.88561681 1\n C C8 1 0.46058622 0.89342316 0.21994901 1\n C C9 1 1.17570688 0.48044070 0.02598870 1\n C C10 1 -0.08874666 0.76032985 0.74991318 1\n C C11 1 0.78525676 0.41137440 0.71302012 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39819000\n_cell_length_b 3.31030000\n_cell_length_c 5.33501000\n_cell_angle_alpha 98.38525000\n_cell_angle_beta 81.14957000\n_cell_angle_gamma 87.42684000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.52587413\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65008449 0.16314436 0.05577835 1\n C C1 1 0.98354455 0.82800601 0.06188450 1\n C C2 1 0.77423232 0.53768659 0.23039013 1\n C C3 1 0.57648686 0.27168192 0.79365986 1\n C C4 1 0.21573925 0.62300630 0.80954565 1\n C C5 1 0.98948812 0.31574731 0.65510133 1\n C C6 1 0.27939377 1.03573077 0.21172694 1\n C C7 1 0.39233988 0.74220556 0.38061942 1\n C C8 1 0.08036283 0.41015399 0.38190920 1\n C C9 1 0.32041444 0.95917069 0.65537411 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48910000\n_cell_length_b 4.16491000\n_cell_length_c 6.63080000\n_cell_angle_alpha 83.74712000\n_cell_angle_beta 79.15578000\n_cell_angle_gamma 89.98660000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.09704987\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50811031 0.80945979 0.37515030 1\n C C1 1 0.69988318 0.02397721 -0.01185171 1\n C C2 1 0.39072296 0.89432602 0.60471835 1\n C C3 1 0.58575971 0.11214359 0.21739278 1\n C C4 1 0.84510565 0.72634568 0.69742395 1\n C C5 1 -0.10468179 0.42183996 0.59541388 1\n C C6 1 0.00911041 0.58505997 0.37320811 1\n C C7 1 1.08492882 0.33437419 0.21897822 1\n C C8 1 0.36371109 0.23262417 0.66014464 1\n C C9 1 0.72647894 0.68492277 0.93244909 1\n C C10 1 0.24575486 0.19137383 0.89524401 1\n C C11 1 0.19534846 0.49642991 -0.00318793 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.58854000\n_cell_length_b 4.43668000\n_cell_length_c 5.49340000\n_cell_angle_alpha 57.46260000\n_cell_angle_beta 53.07947000\n_cell_angle_gamma 73.21971000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.87100529\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80524902 0.86363654 0.75892834 1\n C C1 1 0.73782016 0.28237454 0.61952717 1\n C C2 1 0.42948500 0.30805279 0.94849260 1\n C C3 1 0.90397549 0.75498477 0.02705158 1\n C C4 1 0.18922215 0.50483281 0.38509962 1\n C C5 1 0.91381233 0.13136559 0.21685683 1\n C C6 1 0.62917606 1.01517063 0.16139710 1\n C C7 1 0.35391350 0.64144441 0.99320170 1\n C C8 1 0.63913452 0.39151868 0.35129347 1\n C C9 1 0.11327757 0.83824405 0.42990061 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52106000\n_cell_length_b 5.15678000\n_cell_length_c 4.64695000\n_cell_angle_alpha 97.58420000\n_cell_angle_beta 75.53045000\n_cell_angle_gamma 98.05227000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.62281187\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04720647 -0.02221709 0.38376170 1\n C C1 1 0.50409789 0.55962551 0.18392801 1\n C C2 1 0.63031371 0.12864063 0.29984799 1\n C C3 1 0.86642827 0.17622482 0.95893829 1\n C C4 1 0.51204005 0.40370386 0.42119980 1\n C C5 1 0.43451608 0.50142377 0.69533698 1\n C C6 1 0.07997662 0.72941379 0.15734517 1\n C C7 1 0.44108499 0.34504590 0.93293300 1\n C C8 1 0.31564152 0.77717967 0.81687836 1\n C C9 1 0.89848761 0.92818904 0.73305110 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.99728000\n_cell_length_b 3.63786000\n_cell_length_c 4.61700000\n_cell_angle_alpha 101.02179000\n_cell_angle_beta 104.71144000\n_cell_angle_gamma 108.59771000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.06834644\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04990862 0.42227117 0.85723353 1\n C C1 1 0.54790791 0.47996301 0.35597270 1\n C C2 1 0.85568726 0.63718207 0.66620975 1\n C C3 1 0.35405337 0.69473444 0.16451998 1\n C C4 1 0.04797307 0.04032690 0.85579609 1\n C C5 1 0.35583546 0.07682501 0.16624096 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44301000\n_cell_length_b 4.17251000\n_cell_length_c 7.43417000\n_cell_angle_alpha 116.94863000\n_cell_angle_beta 90.07858000\n_cell_angle_gamma 90.02777000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.55125754\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58220090 0.69113330 0.53533898 1\n C C1 1 0.09673975 0.58214329 0.09830183 1\n C C2 1 0.59682582 0.41618800 0.12917936 1\n C C3 1 1.08767750 0.13567644 0.46768542 1\n C C4 1 0.09510495 1.00901236 0.23077768 1\n C C5 1 0.09528495 0.51587831 0.88229716 1\n C C6 1 0.58798988 0.36324019 0.56369853 1\n C C7 1 1.08297900 0.83229618 0.51822374 1\n C C8 1 0.59429982 0.47598458 0.78564291 1\n C C9 1 0.59585924 0.14899265 0.18027868 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42991000\n_cell_length_b 2.42969000\n_cell_length_c 8.41939000\n_cell_angle_alpha 92.49493000\n_cell_angle_beta 87.88947000\n_cell_angle_gamma 120.00983000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.99635499\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61120208 0.14477406 0.71720295 1\n C C1 1 -0.05777162 0.81445723 0.04962506 1\n C C2 1 0.27751259 0.47841405 0.71652614 1\n C C3 1 1.22078607 0.53348280 0.38174072 1\n C C4 1 0.60910392 0.14756469 1.04877752 1\n C C5 1 0.88734136 0.86695417 0.38100062 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.14886000\n_cell_length_b 3.28675000\n_cell_length_c 4.14839000\n_cell_angle_alpha 102.77925000\n_cell_angle_beta 110.80008000\n_cell_angle_gamma 102.65282000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.74686440\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08984171 0.89550161 0.60766980 1\n C C1 1 0.39488866 0.57763199 0.78051133 1\n C C2 1 0.57232064 0.29516938 0.95812323 1\n C C3 1 1.25932945 0.91768971 0.95661824 1\n C C4 1 0.22153424 0.89481195 0.29523146 1\n C C5 1 -0.09183818 0.51733906 0.29305285 1\n C C6 1 0.08407967 0.23384930 0.47006865 1\n C C7 1 0.57020023 0.91663260 0.64407204 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47315000\n_cell_length_b 4.28100000\n_cell_length_c 5.94110000\n_cell_angle_alpha 43.86760000\n_cell_angle_beta 89.98723000\n_cell_angle_gamma 89.99896000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.59053131\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58699397 0.29863281 0.37059581 1\n C C1 1 0.08655332 -0.03496031 0.87065271 1\n C C2 1 0.58707555 0.46495306 0.87073615 1\n C C3 1 0.58747539 0.09082027 0.24484771 1\n C C4 1 0.08725454 0.42413084 0.74484156 1\n C C5 1 0.58671453 0.92428062 0.74470938 1\n C C6 1 1.08707751 0.59094222 0.24474354 1\n C C7 1 0.08740528 0.79847719 0.37074125 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42536000\n_cell_length_b 4.75766000\n_cell_length_c 4.00312000\n_cell_angle_alpha 86.31197000\n_cell_angle_beta 71.54862000\n_cell_angle_gamma 90.71987000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.70033961\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09254276 0.29075726 0.22675933 1\n C C1 1 0.42435328 0.62239545 0.56264081 1\n C C2 1 0.86954738 0.73326656 0.67323899 1\n C C3 1 0.75901059 0.95692231 -0.10602804 1\n C C4 1 0.53762985 0.40106761 0.33788420 1\n C C5 1 0.20358123 0.06741701 1.00553781 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39775000\n_cell_length_b 3.39861000\n_cell_length_c 4.11441000\n_cell_angle_alpha 101.47885000\n_cell_angle_beta 101.48139000\n_cell_angle_gamma 93.85391000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.34648418\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47033294 1.01733429 0.29521447 1\n C C1 1 0.82567357 0.37230366 0.29791795 1\n C C2 1 0.69087246 0.75584426 0.50856899 1\n C C3 1 0.23965377 0.78615694 -0.04251663 1\n C C4 1 0.01891435 1.04520968 0.74305588 1\n C C5 1 0.49920611 0.56553379 0.74319136 1\n C C6 1 -0.11858953 0.42774317 0.95341054 1\n C C7 1 0.20924174 0.23775172 0.50884304 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48728000\n_cell_length_b 4.06270000\n_cell_length_c 4.69362000\n_cell_angle_alpha 106.00109000\n_cell_angle_beta 90.00374000\n_cell_angle_gamma 90.00940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.59178719\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30959561 0.52748027 0.06572987 1\n C C1 1 0.81005996 0.98489856 0.36838219 1\n C C2 1 0.31011449 0.17908337 0.83066614 1\n C C3 1 0.30952781 0.51985012 0.41360474 1\n C C4 1 -0.19026466 0.72104794 0.52818086 1\n C C5 1 -0.18979857 0.95467256 0.83632442 1\n C C6 1 0.31005867 0.18617669 0.48268509 1\n C C7 1 0.80989220 0.75289160 0.06099468 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49451000\n_cell_length_b 3.42054000\n_cell_length_c 7.21131000\n_cell_angle_alpha 61.72275000\n_cell_angle_beta 80.01825000\n_cell_angle_gamma 68.60176000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.45287878\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72345394 0.55607120 0.26708366 1\n C C1 1 0.32673128 0.61686053 0.00097014 1\n C C2 1 0.13686430 -0.16462479 0.16147745 1\n C C3 1 0.13745234 0.38940452 0.60636182 1\n C C4 1 0.91488642 0.78160367 0.66132696 1\n C C5 1 0.32764873 0.84977338 0.76701165 1\n C C6 1 0.72422910 0.32127836 0.50099490 1\n C C7 1 0.91395258 0.33753913 1.10615494 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51533000\n_cell_length_b 5.05095000\n_cell_length_c 3.93893000\n_cell_angle_alpha 91.71268000\n_cell_angle_beta 80.19195000\n_cell_angle_gamma 110.82655000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.06434148\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27903924 0.33704793 0.63434762 1\n C C1 1 0.29938296 0.83916321 -0.08017720 1\n C C2 1 0.73961589 0.34157583 0.87553617 1\n C C3 1 0.17559162 0.05326072 0.44913970 1\n C C4 1 0.51841066 0.86770100 0.54982776 1\n C C5 1 0.39280466 0.08183543 0.07911945 1\n C C6 1 0.95503396 0.57925601 0.12361127 1\n C C7 1 0.41596461 0.58385648 0.36482123 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45239000\n_cell_length_b 7.97430000\n_cell_length_c 5.22002000\n_cell_angle_alpha 124.70173000\n_cell_angle_beta 94.29234000\n_cell_angle_gamma 92.63476000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 83.20000643\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57547226 0.08744234 0.72963523 1\n C C1 1 0.37534991 0.52032277 0.58369093 1\n C C2 1 0.36721367 0.47372885 0.82980240 1\n C C3 1 0.36096730 0.32633518 0.23332958 1\n C C4 1 0.45538370 0.12481474 0.21497952 1\n C C5 1 0.81561432 0.31933331 1.05635187 1\n C C6 1 0.03923037 0.06517036 0.56211599 1\n C C7 1 -0.09991798 0.63810032 0.63831755 1\n C C8 1 0.47951418 0.95798201 0.85555953 1\n C C9 1 0.97934732 0.10191844 0.34462127 1\n C C10 1 0.86855317 0.44861414 0.93529401 1\n C C11 1 -0.05155532 0.83621215 0.76517161 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45287000\n_cell_length_b 4.48721000\n_cell_length_c 8.22996000\n_cell_angle_alpha 127.01401000\n_cell_angle_beta 98.52706000\n_cell_angle_gamma 74.14765000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.56358994\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04721137 0.27301384 0.26828700 1\n C C1 1 0.54583203 0.13686837 0.12825326 1\n C C2 1 0.28037372 0.63929932 0.09478409 1\n C C3 1 0.65176649 0.42920879 0.63366030 1\n C C4 1 0.75239039 0.40211014 0.80290618 1\n C C5 1 0.22389696 -0.03189343 0.31693528 1\n C C6 1 0.92864166 0.08272677 0.83406312 1\n C C7 1 0.94398125 0.67250986 0.45785976 1\n C C8 1 0.70267854 0.71863578 0.01911855 1\n C C9 1 0.03761807 0.66653503 0.64054292 1\n C C10 1 0.76589361 1.00521106 0.43624004 1\n C C11 1 0.43458652 0.21165877 0.97476611 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04635000\n_cell_length_b 2.43153000\n_cell_length_c 6.40387000\n_cell_angle_alpha 100.64624000\n_cell_angle_beta 85.16039000\n_cell_angle_gamma 69.03927000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.94485553\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76863841 0.48095198 0.15793124 1\n C C1 1 0.76631509 -0.07464665 0.04675514 1\n C C2 1 0.76686705 0.59196619 0.38008982 1\n C C3 1 0.76934511 0.81431419 0.82440986 1\n C C4 1 0.76777787 0.25815366 0.71283623 1\n C C5 1 0.77024947 0.14681003 0.49061779 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49028000\n_cell_length_b 3.59430000\n_cell_length_c 4.35146000\n_cell_angle_alpha 84.28295000\n_cell_angle_beta 73.37081000\n_cell_angle_gamma 69.66160000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99345496\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77196063 0.59863022 0.33777603 1\n C C1 1 -0.04099902 0.59917164 0.96176335 1\n C C2 1 0.24700398 0.22950073 0.75617406 1\n C C3 1 0.32852507 0.85889706 0.96194009 1\n C C4 1 0.85409410 0.22900169 0.54363160 1\n C C5 1 0.14070914 0.85856765 0.33818267 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46592000\n_cell_length_b 5.99121000\n_cell_length_c 5.81453000\n_cell_angle_alpha 116.63372000\n_cell_angle_beta 77.83365000\n_cell_angle_gamma 101.83688000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.45893805\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71135202 0.91651770 0.30384842 1\n C C1 1 0.51234545 0.37508001 0.16088817 1\n C C2 1 0.12545051 0.77990518 0.33929331 1\n C C3 1 0.85557690 0.95801871 1.06037345 1\n C C4 1 1.05276610 0.50003032 0.20422251 1\n C C5 1 -0.14029222 0.70961343 0.79926076 1\n C C6 1 0.44166077 0.09493820 1.02503871 1\n C C7 1 0.30922722 0.56135660 0.74970799 1\n C C8 1 0.70509230 0.16500625 0.56520661 1\n C C9 1 0.25399499 0.31314591 0.61538752 1\n C C10 1 0.54771027 0.01614759 0.73059235 1\n C C11 1 0.01772597 0.85795470 0.63361520 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.88911000\n_cell_length_b 3.64063000\n_cell_length_c 4.81784000\n_cell_angle_alpha 67.75860000\n_cell_angle_beta 79.50144000\n_cell_angle_gamma 68.61758000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.61851938\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07034840 0.15861439 0.70385413 1\n C C1 1 0.07548264 0.59649049 0.20423102 1\n C C2 1 0.07492324 0.53816384 0.70342755 1\n C C3 1 0.07792349 0.19108514 0.39607276 1\n C C4 1 1.07389468 0.81118400 0.39675767 1\n C C5 1 1.07301634 0.75305674 0.89591217 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44723000\n_cell_length_b 3.37665000\n_cell_length_c 7.53750000\n_cell_angle_alpha 78.09176000\n_cell_angle_beta 90.04376000\n_cell_angle_gamma 111.31262000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.58869071\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01727821 0.72400377 0.29408130 1\n C C1 1 0.86252327 0.41412537 0.86688429 1\n C C2 1 0.24434369 0.18319254 0.15459014 1\n C C3 1 0.57683918 0.84327631 0.38745625 1\n C C4 1 0.96110838 0.61093441 0.67665329 1\n C C5 1 0.31264672 0.31871478 0.95763251 1\n C C6 1 0.50934403 0.70427606 0.58517260 1\n C C7 1 0.80503083 0.30364066 0.24714553 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43131000\n_cell_length_b 3.10466000\n_cell_length_c 10.95650000\n_cell_angle_alpha 74.72512000\n_cell_angle_beta 103.00141000\n_cell_angle_gamma 113.28438000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.59974872\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07669510 0.92700943 0.77986416 1\n C C1 1 0.84608774 1.04187773 0.64607470 1\n C C2 1 0.54014973 -0.23578567 -0.01998185 1\n C C3 1 0.72678136 0.33975182 0.38012599 1\n C C4 1 0.25165077 1.25565933 0.44649852 1\n C C5 1 0.46305751 -0.12502437 0.84621865 1\n C C6 1 0.67118962 0.49502648 0.24707061 1\n C C7 1 0.14138242 0.56894546 0.18032656 1\n C C8 1 0.07501100 -0.29822824 1.04671657 1\n C C9 1 0.31226327 1.10798263 0.57972449 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43780000\n_cell_length_b 4.84428000\n_cell_length_c 6.52503000\n_cell_angle_alpha 121.64015000\n_cell_angle_beta 101.44022000\n_cell_angle_gamma 82.93616000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.28294110\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32243398 -0.00673912 0.49544240 1\n C C1 1 0.78551485 0.42902276 0.39696162 1\n C C2 1 0.27658961 0.58402356 0.95709484 1\n C C3 1 0.77593338 0.01230826 0.39955938 1\n C C4 1 0.70981652 0.08456133 0.20309899 1\n C C5 1 0.94083935 0.05781025 0.85175774 1\n C C6 1 0.82211835 0.42574285 0.93818533 1\n C C7 1 0.31132495 0.57886666 0.50059453 1\n C C8 1 0.15697921 0.95232005 1.04511167 1\n C C9 1 0.38744970 0.92423759 0.69380010 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42888000\n_cell_length_b 3.07247000\n_cell_length_c 6.23328000\n_cell_angle_alpha 79.36844000\n_cell_angle_beta 89.72518000\n_cell_angle_gamma 112.79964000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.99649650\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20575283 0.67831290 0.91799699 1\n C C1 1 0.31459676 0.89629058 0.69550821 1\n C C2 1 0.87256223 0.01201113 0.58470841 1\n C C3 1 0.64778736 0.56259236 1.02879679 1\n C C4 1 0.98124850 0.22956369 0.36216921 1\n C C5 1 0.53910109 0.34503980 0.25133600 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45425000\n_cell_length_b 4.59177000\n_cell_length_c 5.35917000\n_cell_angle_alpha 84.39042000\n_cell_angle_beta 89.98769000\n_cell_angle_gamma 74.52143000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.90407421\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85675240 0.22669083 0.23632347 1\n C C1 1 0.11662879 0.70696094 0.88132578 1\n C C2 1 0.57026087 0.79824989 0.03191889 1\n C C3 1 0.39838884 0.14161422 0.08976905 1\n C C4 1 1.28625350 0.36761146 0.86345417 1\n C C5 1 0.68313046 0.57725360 0.26937979 1\n C C6 1 0.31795074 0.30004917 0.60392198 1\n C C7 1 -0.10014942 0.13517288 0.51866404 1\n C C8 1 0.17340549 0.59590350 0.43477341 1\n C C9 1 0.05682463 0.82236050 0.61113853 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44629000\n_cell_length_b 4.58461000\n_cell_length_c 6.21963000\n_cell_angle_alpha 98.29352000\n_cell_angle_beta 78.64749000\n_cell_angle_gamma 105.61530000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.55758399\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52810270 0.60348971 0.31700591 1\n C C1 1 0.75256658 0.44837168 0.70987823 1\n C C2 1 0.20366790 0.30323713 0.66735879 1\n C C3 1 0.36248875 1.03747986 0.08720136 1\n C C4 1 0.37089398 0.86920265 0.89598962 1\n C C5 1 0.09678044 0.98492688 0.56225777 1\n C C6 1 0.88713261 0.78111261 0.77404465 1\n C C7 1 0.63569906 0.92231911 0.42034640 1\n C C8 1 0.97670492 0.45729594 0.27683146 1\n C C9 1 0.84433817 0.12464244 0.21057901 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04075000\n_cell_length_b 2.42795000\n_cell_length_c 5.83505000\n_cell_angle_alpha 100.97168000\n_cell_angle_beta 93.32549000\n_cell_angle_gamma 92.08481000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.17085763\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55917946 0.92384153 0.67410135 1\n C C1 1 0.89283844 0.59046782 1.00733899 1\n C C2 1 0.11646971 0.70104877 0.22835390 1\n C C3 1 0.44953008 0.36774434 0.56176700 1\n C C4 1 0.22587901 0.25716610 0.34075723 1\n C C5 1 0.78324850 0.03436984 0.89499502 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48983000\n_cell_length_b 3.93694000\n_cell_length_c 5.94812000\n_cell_angle_alpha 82.38376000\n_cell_angle_beta 102.10135000\n_cell_angle_gamma 90.00029000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.48352254\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44686668 0.02477318 0.73192017 1\n C C1 1 0.70651466 0.72349704 0.25331629 1\n C C2 1 0.60814022 0.49883708 0.05191649 1\n C C3 1 0.80422199 0.42170693 0.45292965 1\n C C4 1 0.31005819 0.18201724 0.46485475 1\n C C5 1 0.92689814 0.51490195 0.69320052 1\n C C6 1 0.47232395 0.65834714 0.78480793 1\n C C7 1 -0.00805392 0.16906848 0.82258140 1\n C C8 1 1.11372930 0.26059453 0.06327605 1\n C C9 1 0.21098530 0.95822083 0.26283196 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.88399000\n_cell_length_b 4.55597000\n_cell_length_c 6.17470000\n_cell_angle_alpha 47.45481000\n_cell_angle_beta 72.81895000\n_cell_angle_gamma 64.74450000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.80071859\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67099394 0.11647444 0.10643456 1\n C C1 1 -0.07552697 0.40290425 0.36026922 1\n C C2 1 0.31902165 0.22945320 0.74331500 1\n C C3 1 0.13000087 -0.02931607 0.55675972 1\n C C4 1 0.57172259 0.51564283 -0.00223242 1\n C C5 1 0.11325502 0.66156376 0.54709397 1\n C C6 1 0.54298978 1.02818926 0.97729625 1\n C C7 1 0.32928055 0.89646679 0.75482820 1\n C C8 1 0.69822619 0.60413373 0.12740733 1\n C C9 1 0.91402477 0.73581241 0.34897888 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28024000\n_cell_length_b 4.29438000\n_cell_length_c 5.67685000\n_cell_angle_alpha 89.73619000\n_cell_angle_beta 73.42801000\n_cell_angle_gamma 90.40439000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.64208254\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26860989 0.15242808 0.67073355 1\n C C1 1 0.21500253 0.82097298 0.68165380 1\n C C2 1 0.46361991 0.81250443 0.06995013 1\n C C3 1 1.10532071 0.65782571 0.50395085 1\n C C4 1 1.01735146 0.16189025 0.28296916 1\n C C5 1 0.22863244 0.32940893 0.45411949 1\n C C6 1 0.04257480 0.81323661 0.29027970 1\n C C7 1 0.81810537 0.64590053 0.12460881 1\n C C8 1 0.66278772 0.32883574 0.22730083 1\n C C9 1 0.25178602 0.64483194 0.89876179 1\n C C10 1 0.37200568 0.31597867 0.84991943 1\n C C11 1 0.43678338 0.16091242 0.06253357 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47384000\n_cell_length_b 6.27110000\n_cell_length_c 8.67538000\n_cell_angle_alpha 90.99547000\n_cell_angle_beta 94.74499000\n_cell_angle_gamma 96.04095000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 133.33496104\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91507076 0.27155843 0.54786477 1\n C C1 1 1.06464548 0.50613586 0.58575972 1\n C C2 1 0.72642708 -0.15858914 0.55085284 1\n C C3 1 0.82266916 0.99976711 1.11180139 1\n C C4 1 0.37575070 0.69334825 0.20000541 1\n C C5 1 0.31578124 0.07121211 0.34525899 1\n C C6 1 0.79118731 0.89830485 0.73569346 1\n C C7 1 0.84065768 0.58123822 0.13443755 1\n C C8 1 0.26746167 0.41788020 0.89939094 1\n C C9 1 0.57547155 0.60719510 0.51447015 1\n C C10 1 0.32351042 0.04193636 0.75335441 1\n C C11 1 0.44348727 0.55229083 0.34412466 1\n C C12 1 -0.11450189 0.43033896 0.29027160 1\n C C13 1 1.30094907 0.17439842 0.90551577 1\n C C14 1 0.80263380 0.52883715 -0.03437749 1\n C C15 1 0.85117535 0.21404651 0.36389695 1\n C C16 1 0.33371091 0.93874967 0.19254795 1\n C C17 1 0.20250046 0.55933396 0.75602281 1\n C C18 1 0.76005441 0.68158857 0.80991881 1\n C C19 1 0.26965832 -0.04359416 0.49745767 1\n C C20 1 0.37244219 0.15545938 0.60137064 1\n C C21 1 0.80991426 0.11312997 0.98663822 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.14379000\n_cell_length_b 3.41427000\n_cell_length_c 4.80996000\n_cell_angle_alpha 68.58127000\n_cell_angle_beta 92.28861000\n_cell_angle_gamma 67.54184000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.44122857\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54400997 0.79891213 0.22669787 1\n C C1 1 0.80694055 0.52337412 0.53473857 1\n C C2 1 0.19076581 0.14303526 0.53322385 1\n C C3 1 1.15819789 0.17844406 0.22788025 1\n C C4 1 0.75447747 0.58644778 1.03422473 1\n C C5 1 0.59519112 0.73577304 0.72707684 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64024000\n_cell_length_b 4.27816000\n_cell_length_c 8.19643000\n_cell_angle_alpha 93.09211000\n_cell_angle_beta 80.58243000\n_cell_angle_gamma 46.05732000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.11511000\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98481363 0.70054126 0.23360510 1\n C C1 1 0.79280244 0.38988989 0.58010586 1\n C C2 1 0.48459147 0.70053768 0.73358995 1\n C C3 1 0.10239506 0.89255249 0.32938230 1\n C C4 1 1.17560829 0.19765126 -0.01583334 1\n C C5 1 0.48138623 0.89439284 0.32993479 1\n C C6 1 0.29571666 0.19755314 0.48368154 1\n C C7 1 -0.32467081 0.19867182 0.48387616 1\n C C8 1 0.60232589 0.89205232 0.82956533 1\n C C9 1 0.79628886 0.19618947 -0.01612220 1\n C C10 1 0.29329934 0.38883686 0.08035607 1\n C C11 1 -0.01842605 0.89360969 0.83000114 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48301000\n_cell_length_b 3.63024000\n_cell_length_c 7.32557000\n_cell_angle_alpha 60.23246000\n_cell_angle_beta 90.00676000\n_cell_angle_gamma 89.99848000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.31897264\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75561090 0.86759354 0.63168402 1\n C C1 1 -0.24384261 0.48611246 0.00813531 1\n C C2 1 0.75547935 0.31798784 0.43729517 1\n C C3 1 0.75545157 0.23909765 0.25622994 1\n C C4 1 0.25587063 0.16779622 0.82627264 1\n C C5 1 0.75590027 -0.07193186 0.82638309 1\n C C6 1 0.25621411 0.24605416 1.00821203 1\n C C7 1 0.25545204 0.55728792 0.43718690 1\n C C8 1 0.25547563 0.99898443 0.25661017 1\n C C9 1 0.25559880 0.61841774 0.63163944 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44603000\n_cell_length_b 4.56770000\n_cell_length_c 6.36317000\n_cell_angle_alpha 94.49972000\n_cell_angle_beta 78.93114000\n_cell_angle_gamma 105.52169000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.19925121\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25701466 0.53133410 0.76404932 1\n C C1 1 0.24092626 0.30725723 0.56597736 1\n C C2 1 0.66823952 0.47947074 0.88896318 1\n C C3 1 0.81239856 0.30760945 0.42126451 1\n C C4 1 0.71457996 0.99940494 0.30566447 1\n C C5 1 0.03810838 0.00192635 0.67418675 1\n C C6 1 0.45068822 -0.13901232 0.70985228 1\n C C7 1 0.15939002 0.85559592 0.27295329 1\n C C8 1 1.01825159 0.52064660 0.22627451 1\n C C9 1 0.55458452 0.46700869 0.09940253 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51780000\n_cell_length_b 4.63961000\n_cell_length_c 6.36324000\n_cell_angle_alpha 60.11406000\n_cell_angle_beta 87.10280000\n_cell_angle_gamma 110.89839000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.76753847\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00080958 0.18774451 0.43391684 1\n C C1 1 1.00749991 0.40891244 -0.06461275 1\n C C2 1 0.06564660 0.80135578 0.11755015 1\n C C3 1 0.18698379 -0.18733741 0.87067760 1\n C C4 1 0.40998895 1.06638861 0.36236499 1\n C C5 1 0.07769711 0.39561898 0.70976202 1\n C C6 1 0.37591088 0.60733935 0.28215183 1\n C C7 1 0.28924712 0.68188134 0.47621178 1\n C C8 1 0.85652884 0.03778275 0.72280034 1\n C C9 1 0.37013632 0.18718185 0.08469860 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46708000\n_cell_length_b 3.37139000\n_cell_length_c 6.15508000\n_cell_angle_alpha 112.46715000\n_cell_angle_beta 101.71930000\n_cell_angle_gamma 111.33582000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.43560785\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77239458 0.32211648 0.98394525 1\n C C1 1 0.07134989 0.84323224 0.06192319 1\n C C2 1 0.09864729 0.49517806 0.46109217 1\n C C3 1 0.78372011 0.14245304 0.18687951 1\n C C4 1 0.74731118 0.67068088 0.58466849 1\n C C5 1 0.05987394 1.02264429 0.85891730 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48749000\n_cell_length_b 4.06284000\n_cell_length_c 4.69252000\n_cell_angle_alpha 73.97297000\n_cell_angle_beta 90.01010000\n_cell_angle_gamma 90.00591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.58059847\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10079917 0.14663580 0.89823827 1\n C C1 1 1.10085887 -0.05546458 0.67414447 1\n C C2 1 0.10088461 0.17822420 0.36569612 1\n C C3 1 0.60087072 0.37190368 -0.09693028 1\n C C4 1 0.60050710 0.71318557 0.32019362 1\n C C5 1 0.60087839 0.72029659 0.66861234 1\n C C6 1 0.60087472 0.37934806 0.25141262 1\n C C7 1 0.10043923 0.91438329 0.20606184 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44291000\n_cell_length_b 4.64019000\n_cell_length_c 7.49484000\n_cell_angle_alpha 57.12965000\n_cell_angle_beta 98.33727000\n_cell_angle_gamma 105.29670000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.82836443\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88513511 0.95936209 0.26335714 1\n C C1 1 0.96169037 0.83085940 0.47895460 1\n C C2 1 0.14867265 0.60781228 0.15078139 1\n C C3 1 0.71999430 0.72139756 0.18349999 1\n C C4 1 0.69888311 0.18224411 0.59145253 1\n C C5 1 0.46063012 0.38829333 0.96198429 1\n C C6 1 0.12682011 0.06878299 0.55854375 1\n C C7 1 0.38802012 0.40212671 0.77965810 1\n C C8 1 0.85659332 0.44407106 0.65758057 1\n C C9 1 -0.00703012 0.34681187 0.08414593 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48804000\n_cell_length_b 3.51598000\n_cell_length_c 4.30507000\n_cell_angle_alpha 114.08817000\n_cell_angle_beta 73.19996000\n_cell_angle_gamma 89.99853000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61205818\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69430738 0.80537878 0.01338769 1\n C C1 1 0.52758934 0.72193988 0.34667923 1\n C C2 1 0.02759166 0.47205110 0.34673868 1\n C C3 1 0.36121330 0.13870834 0.68007264 1\n C C4 1 1.19426434 0.05526416 0.01334719 1\n C C5 1 0.86116267 0.38859385 0.68003067 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47511000\n_cell_length_b 4.24807000\n_cell_length_c 3.72196000\n_cell_angle_alpha 64.02139000\n_cell_angle_beta 90.00096000\n_cell_angle_gamma 89.99791000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18010225\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15988409 0.40953033 0.81172331 1\n C C1 1 1.15876016 0.40938812 0.40377849 1\n C C2 1 0.65980380 0.18644401 0.01524897 1\n C C3 1 0.65864392 0.18676610 0.42315496 1\n C C4 1 0.65920508 0.90866800 0.85816818 1\n C C5 1 0.15923285 0.68736074 -0.03121770 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49539000\n_cell_length_b 4.35130000\n_cell_length_c 5.02672000\n_cell_angle_alpha 115.72977000\n_cell_angle_beta 119.81017000\n_cell_angle_gamma 89.99025000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.00746050\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36341642 0.37993398 0.46168527 1\n C C1 1 0.41342804 -0.17159074 1.01283177 1\n C C2 1 0.75986624 0.17330305 0.35833842 1\n C C3 1 0.36262838 0.72471490 0.46089407 1\n C C4 1 0.75876614 0.82751491 0.35726191 1\n C C5 1 0.70718579 0.72553710 0.80632927 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36930000\n_cell_length_b 3.81860000\n_cell_length_c 6.58511000\n_cell_angle_alpha 89.25515000\n_cell_angle_beta 124.55621000\n_cell_angle_gamma 95.49272000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.36766836\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58267484 0.37464114 0.36795832 1\n C C1 1 0.13977476 0.49129344 0.12634652 1\n C C2 1 0.06407477 0.59717390 0.45014659 1\n C C3 1 0.59484743 1.01203019 0.33834317 1\n C C4 1 0.52602937 0.43468727 0.58411757 1\n C C5 1 0.64751670 0.27150141 -0.02256856 1\n C C6 1 0.88022978 0.75834104 0.73651303 1\n C C7 1 0.53195610 0.11615910 0.72928100 1\n C C8 1 0.65187679 0.95158792 0.12221237 1\n C C9 1 0.11375050 0.78827351 0.25644794 1\n C C10 1 0.03922623 0.89462804 0.57993673 1\n C C11 1 0.29923114 0.62829604 0.96972852 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35415000\n_cell_length_b 2.45405000\n_cell_length_c 7.77074000\n_cell_angle_alpha 89.96861000\n_cell_angle_beta 71.66262000\n_cell_angle_gamma 68.49813000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.01048523\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57573690 0.77551882 0.49326611 1\n C C1 1 -0.05662891 1.09197008 0.20665322 1\n C C2 1 0.83034672 0.64694675 0.63874845 1\n C C3 1 0.32263372 0.40121636 0.58383244 1\n C C4 1 -0.18485280 0.65574763 0.29698382 1\n C C5 1 0.33879574 0.39279925 0.92538338 1\n C C6 1 0.21002844 0.95775134 0.01577820 1\n C C7 1 0.57713259 0.27440588 0.72917438 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42724000\n_cell_length_b 5.51531000\n_cell_length_c 6.33825000\n_cell_angle_alpha 79.26312000\n_cell_angle_beta 78.99869000\n_cell_angle_gamma 76.99335000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.23713517\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04568006 0.38817204 0.85380978 1\n C C1 1 0.19103941 0.91998151 0.04054847 1\n C C2 1 0.30854660 0.28239814 0.43546409 1\n C C3 1 0.65123028 0.24325142 0.78799935 1\n C C4 1 0.93410294 0.37430258 0.09374175 1\n C C5 1 0.76302198 0.25881550 0.54698009 1\n C C6 1 0.71278874 -0.01437910 0.93092652 1\n C C7 1 0.38692496 0.35104348 0.20503499 1\n C C8 1 -0.00955208 0.64554586 0.71030508 1\n C C9 1 0.12193729 0.82964258 0.26431013 1\n C C10 1 0.58005908 0.80286338 0.37854716 1\n C C11 1 0.51270643 0.71195609 0.60204788 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46141000\n_cell_length_b 3.37489000\n_cell_length_c 9.43432000\n_cell_angle_alpha 94.54916000\n_cell_angle_beta 61.70213000\n_cell_angle_gamma 89.93456000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 96.63987185\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49655892 0.80423659 0.92585465 1\n C C1 1 0.31440132 0.49782156 0.84155539 1\n C C2 1 0.83671802 0.13107347 0.36449805 1\n C C3 1 -0.01373712 0.84586717 0.84467707 1\n C C4 1 0.54505080 0.31870077 0.66740548 1\n C C5 1 0.15102422 0.13996705 0.93542252 1\n C C6 1 0.21143738 0.96645210 0.67333706 1\n C C7 1 0.38487923 0.34688259 0.45769077 1\n C C8 1 0.91027288 0.82473315 0.45874746 1\n C C9 1 1.00648404 0.10516383 0.57583587 1\n C C10 1 0.49608429 0.51410221 0.17899877 1\n C C11 1 0.50034596 0.62606401 0.56479692 1\n C C12 1 0.85141316 0.23837408 1.10784703 1\n C C13 1 -0.03077881 0.00804716 0.19794242 1\n C C14 1 1.20425547 0.48285499 0.35340975 1\n C C15 1 0.33328305 0.75069078 0.10245628 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28932000\n_cell_length_b 4.68503000\n_cell_length_c 4.69445000\n_cell_angle_alpha 93.30169000\n_cell_angle_beta 59.54360000\n_cell_angle_gamma 59.54977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.70901532\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94998016 0.49573750 0.52322859 1\n C C1 1 0.95047284 0.80757195 0.21171371 1\n C C2 1 -0.07365963 0.32186759 0.03740120 1\n C C3 1 0.62498952 0.14663164 0.17433593 1\n C C4 1 0.64871008 0.63243764 0.34815709 1\n C C5 1 0.62509407 0.45860296 0.86245252 1\n C C6 1 0.56262906 0.14484375 0.86056170 1\n C C7 1 1.01235779 0.80944726 0.52504836 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.30416000\n_cell_length_b 3.75724000\n_cell_length_c 4.30247000\n_cell_angle_alpha 64.10112000\n_cell_angle_beta 58.37018000\n_cell_angle_gamma 64.13493000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.30608691\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02292001 0.56076728 0.26543826 1\n C C1 1 0.70505572 0.19622434 0.91614400 1\n C C2 1 0.73897052 0.61494273 0.65065100 1\n C C3 1 0.05646158 0.97865161 0.99982096 1\n C C4 1 0.35294007 0.19082443 0.27954841 1\n C C5 1 1.02244267 0.16611821 0.26503058 1\n C C6 1 0.73844051 0.01055686 0.65029160 1\n C C7 1 0.40849732 -0.01640317 0.63637928 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48125000\n_cell_length_b 5.46725000\n_cell_length_c 5.04230000\n_cell_angle_alpha 57.12199000\n_cell_angle_beta 89.97827000\n_cell_angle_gamma 89.99239000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.44584159\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24547601 0.45726992 0.75962456 1\n C C1 1 0.74542301 0.28575589 0.92807452 1\n C C2 1 1.24546230 0.74967922 0.75942824 1\n C C3 1 0.24509701 0.00966464 0.41419592 1\n C C4 1 0.24517532 0.86811582 0.22922771 1\n C C5 1 0.24487116 0.54100874 0.41487752 1\n C C6 1 0.74527914 0.75194305 0.92804472 1\n C C7 1 0.74542268 0.96987867 0.02563177 1\n C C8 1 0.74483010 0.47718730 0.28603208 1\n C C9 1 0.74503027 0.20229535 0.28515595 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48118000\n_cell_length_b 3.68915000\n_cell_length_c 4.21573000\n_cell_angle_alpha 75.22816000\n_cell_angle_beta 90.01417000\n_cell_angle_gamma 70.36382000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98635310\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94725545 0.87391958 0.82820136 1\n C C1 1 -0.27704398 0.31925684 0.62190272 1\n C C2 1 1.14448942 0.47639040 0.75276562 1\n C C3 1 0.46638479 0.83569181 0.05072934 1\n C C4 1 0.69097666 0.39026021 0.25685974 1\n C C5 1 0.26902256 0.23383956 0.12570573 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48782000\n_cell_length_b 4.30421000\n_cell_length_c 4.30406000\n_cell_angle_alpha 48.18924000\n_cell_angle_beta 73.21775000\n_cell_angle_gamma 73.22311000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.58893989\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95299302 0.28299562 0.63075675 1\n C C1 1 0.78637988 0.19954968 1.04756185 1\n C C2 1 0.28632635 -0.05033772 0.29742342 1\n C C3 1 0.61965969 0.61632895 -0.03590992 1\n C C4 1 0.11971321 0.86621635 0.71422852 1\n C C5 1 0.45304655 0.53288302 0.38089518 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47028000\n_cell_length_b 7.02926000\n_cell_length_c 9.35547000\n_cell_angle_alpha 114.62578000\n_cell_angle_beta 105.33762000\n_cell_angle_gamma 79.94257000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 142.03092021\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73892130 0.21771348 -0.03922695 1\n C C1 1 0.60068623 0.79694692 0.10712693 1\n C C2 1 0.42376201 0.36952132 0.21800233 1\n C C3 1 0.47340139 0.10155890 0.63947507 1\n C C4 1 0.59900591 0.77281866 0.59017974 1\n C C5 1 0.72081664 0.13759086 0.40362502 1\n C C6 1 0.88799351 0.26961197 0.13344141 1\n C C7 1 0.43308290 0.91643918 -0.00061731 1\n C C8 1 1.04167982 0.48821293 0.89451869 1\n C C9 1 -0.13828329 0.71642411 0.32692831 1\n C C10 1 0.30008853 0.40976943 0.61603515 1\n C C11 1 0.03641179 0.70426770 0.49407634 1\n C C12 1 1.43468913 0.52248186 0.80340926 1\n C C13 1 0.03456106 0.13702631 0.71750024 1\n C C14 1 0.32469068 0.59892443 0.23288288 1\n C C15 1 0.14545863 0.25963756 0.88861552 1\n C C16 1 0.33632931 0.75562693 0.82100260 1\n C C17 1 0.13851002 0.65308899 0.07453169 1\n C C18 1 -0.10886775 1.04540914 0.02341053 1\n C C19 1 0.12851188 0.47094828 0.47245362 1\n C C20 1 0.30790934 0.17802091 0.51179692 1\n C C21 1 0.74555278 0.77313524 0.73893007 1\n C C22 1 0.71934274 0.91401509 0.28683108 1\n C C23 1 0.59213875 0.35740012 0.37990295 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.69983000\n_cell_length_b 5.51787000\n_cell_length_c 4.83311000\n_cell_angle_alpha 57.78922000\n_cell_angle_beta 59.60670000\n_cell_angle_gamma 46.63109000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.09699210\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95043356 0.87139105 0.31780174 1\n C C1 1 0.90821694 0.34644098 0.40645881 1\n C C2 1 0.62296121 0.87126690 0.64534406 1\n C C3 1 0.23455432 0.34727996 0.08074236 1\n C C4 1 0.77600891 0.10181729 0.02904866 1\n C C5 1 0.38727220 0.57798384 0.46480740 1\n C C6 1 0.10217373 0.10292084 0.70323910 1\n C C7 1 1.05983463 0.57784612 0.79220226 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.95196000\n_cell_length_b 3.63638000\n_cell_length_c 4.82457000\n_cell_angle_alpha 67.72035000\n_cell_angle_beta 111.28784000\n_cell_angle_gamma 105.46566000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.15016128\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60883756 0.86177649 0.62192029 1\n C C1 1 0.60734204 0.48042429 0.62252142 1\n C C2 1 0.59981359 0.91924763 0.12118622 1\n C C3 1 0.60596757 1.07612747 0.81304375 1\n C C4 1 0.59694360 0.13359861 0.31230967 1\n C C5 1 0.59843913 0.51495080 0.31170854 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31992000\n_cell_length_b 3.78510000\n_cell_length_c 3.92022000\n_cell_angle_alpha 88.03518000\n_cell_angle_beta 105.84694000\n_cell_angle_gamma 84.11844000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.04077132\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79509637 0.85410968 0.72241369 1\n C C1 1 0.12684147 0.84422266 0.10625017 1\n C C2 1 0.49982493 0.18705129 0.77248279 1\n C C3 1 0.70081677 0.49055597 0.61700149 1\n C C4 1 0.07521339 0.30952378 0.50844977 1\n C C5 1 0.87771528 0.00006789 0.36369262 1\n C C6 1 0.44822944 1.13255755 0.12394899 1\n C C7 1 0.31472447 0.47960969 0.28304399 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52362000\n_cell_length_b 4.37446000\n_cell_length_c 7.55705000\n_cell_angle_alpha 106.27372000\n_cell_angle_beta 65.56239000\n_cell_angle_gamma 84.24506000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.64251086\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86501309 0.18202983 0.82871457 1\n C C1 1 1.04647695 0.14171513 0.62015182 1\n C C2 1 0.52418384 0.70840246 0.83992982 1\n C C3 1 0.89932165 0.47483747 0.60216704 1\n C C4 1 -0.10969006 0.92578610 0.91654895 1\n C C5 1 0.95029507 0.30012618 0.24661402 1\n C C6 1 0.51903953 0.79640814 0.24741889 1\n C C7 1 0.35901389 0.85447112 0.46517753 1\n C C8 1 0.11676602 0.57771533 0.16278526 1\n C C9 1 0.53429303 0.52553512 0.48590491 1\n C C10 1 0.45585959 0.47200890 0.94505639 1\n C C11 1 0.57158950 0.08296841 0.16861609 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.92787000\n_cell_length_b 3.63956000\n_cell_length_c 4.81768000\n_cell_angle_alpha 67.72978000\n_cell_angle_beta 72.65457000\n_cell_angle_gamma 70.18504000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.83868674\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58937533 0.44939849 0.45420617 1\n C C1 1 0.58521649 0.85485790 0.26336950 1\n C C2 1 0.58692972 0.23558723 0.26240133 1\n C C3 1 0.59329204 0.29223296 0.76249077 1\n C C4 1 0.59540891 0.50640106 0.95412082 1\n C C5 1 0.59858151 0.88640206 0.95327321 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43110000\n_cell_length_b 3.96784000\n_cell_length_c 4.62790000\n_cell_angle_alpha 83.60227000\n_cell_angle_beta 104.45243000\n_cell_angle_gamma 91.13418000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.95833664\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51807437 0.97105221 0.05766302 1\n C C1 1 0.85174529 0.63564423 0.72564579 1\n C C2 1 1.29638989 0.52399589 0.61434641 1\n C C3 1 -0.03725675 0.85942221 -0.05372662 1\n C C4 1 0.18499441 0.30296124 0.39194557 1\n C C5 1 0.62996759 0.19008703 0.28125983 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43069000\n_cell_length_b 3.82669000\n_cell_length_c 4.81220000\n_cell_angle_alpha 84.54835000\n_cell_angle_beta 75.58029000\n_cell_angle_gamma 89.44899000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.14993004\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04377716 -0.02856818 0.85348517 1\n C C1 1 0.26546881 0.52612174 0.40957870 1\n C C2 1 0.37711049 0.30476516 0.18681850 1\n C C3 1 0.71044383 0.63809849 0.52015184 1\n C C4 1 0.93213547 1.19278841 0.07624536 1\n C C5 1 0.59880214 0.85945508 0.74291203 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45692000\n_cell_length_b 3.66275000\n_cell_length_c 6.47522000\n_cell_angle_alpha 80.35603000\n_cell_angle_beta 79.06652000\n_cell_angle_gamma 109.56741000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.20086924\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31065939 0.58247761 0.60721626 1\n C C1 1 0.00721764 0.63156407 0.26458899 1\n C C2 1 0.14232334 0.66774206 0.02836706 1\n C C3 1 0.02297388 0.14111178 0.74424884 1\n C C4 1 0.45171975 0.62507242 0.37007288 1\n C C5 1 0.60637520 0.50734200 0.94200940 1\n C C6 1 0.43404183 0.10920983 -0.10958126 1\n C C7 1 0.84740707 0.74252313 0.69427663 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45640000\n_cell_length_b 5.95182000\n_cell_length_c 7.16547000\n_cell_angle_alpha 80.37883000\n_cell_angle_beta 80.01760000\n_cell_angle_gamma 71.36716000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 97.06235749\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04621419 0.49102599 0.13707765 1\n C C1 1 0.94235266 0.12019142 0.51270273 1\n C C2 1 0.62968974 0.84023697 0.33241070 1\n C C3 1 -0.04537324 0.11371012 0.09678182 1\n C C4 1 0.11551852 0.67208948 0.60369437 1\n C C5 1 0.55366504 0.68045522 0.71355273 1\n C C6 1 0.69692432 0.34960332 0.10663570 1\n C C7 1 0.42055808 0.74310034 0.88834322 1\n C C8 1 0.58182321 -0.03774319 0.12373262 1\n C C9 1 0.29648499 0.49322733 0.45994857 1\n C C10 1 0.86123325 0.74651231 0.00107739 1\n C C11 1 0.05809509 0.88697094 0.44838861 1\n C C12 1 0.82268503 0.56818645 0.33976231 1\n C C13 1 0.36984693 0.23789402 0.51739347 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44141000\n_cell_length_b 4.19014000\n_cell_length_c 6.61285000\n_cell_angle_alpha 110.12669000\n_cell_angle_beta 100.54479000\n_cell_angle_gamma 90.07243000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.29339313\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60976375 0.20816257 0.86677042 1\n C C1 1 0.28257639 0.48161627 0.21583534 1\n C C2 1 1.08732502 0.68484915 0.81906628 1\n C C3 1 0.06406286 1.00671555 0.77681400 1\n C C4 1 0.72762818 0.37053781 0.10931478 1\n C C5 1 0.38809257 0.72848327 0.42804014 1\n C C6 1 0.94340292 0.84044179 0.53482926 1\n C C7 1 0.59376721 0.53338699 0.82947698 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42621000\n_cell_length_b 4.22942000\n_cell_length_c 4.22923000\n_cell_angle_alpha 87.27128000\n_cell_angle_beta 90.01154000\n_cell_angle_gamma 89.99768000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34887071\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85232013 0.32352342 0.24632682 1\n C C1 1 0.35235382 0.24081727 0.75312819 1\n C C2 1 0.35271080 0.89146683 0.81379753 1\n C C3 1 0.85248670 0.38499402 0.89694271 1\n C C4 1 -0.14730060 0.73432930 0.83694819 1\n C C5 1 0.35241246 0.30176176 0.40327916 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45705000\n_cell_length_b 3.66143000\n_cell_length_c 6.47091000\n_cell_angle_alpha 99.29283000\n_cell_angle_beta 100.92733000\n_cell_angle_gamma 109.59737000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.22955677\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62483621 0.34184204 0.17320584 1\n C C1 1 -0.07879878 0.26931631 0.83886110 1\n C C2 1 0.38352903 0.10857652 0.92557105 1\n C C3 1 0.79818378 0.74072083 0.12251301 1\n C C4 1 1.08842485 0.18185791 0.26046088 1\n C C5 1 0.20972688 0.71002720 0.97705059 1\n C C6 1 0.78464631 0.23133007 0.60291638 1\n C C7 1 0.22630132 1.22181151 0.49672924 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43905000\n_cell_length_b 4.22971000\n_cell_length_c 6.52727000\n_cell_angle_alpha 90.34257000\n_cell_angle_beta 100.74813000\n_cell_angle_gamma 90.01441000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.15581345\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52357239 1.07972107 -0.02231269 1\n C C1 1 0.83642625 0.69140942 0.62583924 1\n C C2 1 0.20566768 0.24295495 0.36778530 1\n C C3 1 0.02800417 0.23692488 -0.01136684 1\n C C4 1 0.38788673 0.68971824 0.72996657 1\n C C5 1 1.05437058 0.57688690 0.05324715 1\n C C6 1 0.71943902 0.73534384 0.39503726 1\n C C7 1 0.17368732 0.58148328 0.30128906 1\n C C8 1 0.71176571 0.08631271 0.38232255 1\n C C9 1 0.50906185 0.72966221 0.96049060 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49215000\n_cell_length_b 4.97926000\n_cell_length_c 5.42593000\n_cell_angle_alpha 89.12173000\n_cell_angle_beta 117.14319000\n_cell_angle_gamma 92.08123000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.87593703\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47158090 0.34206871 0.89210767 1\n C C1 1 0.19653784 0.51561187 0.64577913 1\n C C2 1 0.97855830 0.16581061 0.89192131 1\n C C3 1 0.76118117 0.97188016 0.65414913 1\n C C4 1 0.68861174 0.51616527 0.13845777 1\n C C5 1 0.23250686 -0.02806847 0.12853082 1\n C C6 1 0.56423707 0.11808049 0.39130234 1\n C C7 1 0.83818019 0.38499954 0.39197170 1\n C C8 1 0.32167910 0.80088747 0.72447721 1\n C C9 1 0.65380405 0.80099443 0.05787703 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48289000\n_cell_length_b 3.74625000\n_cell_length_c 3.84291000\n_cell_angle_alpha 89.98459000\n_cell_angle_beta 89.99636000\n_cell_angle_gamma 89.99627000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.74492839\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00676212 0.68048288 0.76763531 1\n C C1 1 0.50666012 0.18403926 0.06252487 1\n C C2 1 1.00664993 0.41273427 0.06264061 1\n C C3 1 0.50656133 0.91619080 0.35706961 1\n C C4 1 0.50673011 0.91636398 0.76756113 1\n C C5 1 0.00657308 0.68034470 0.35716417 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45962000\n_cell_length_b 5.80631000\n_cell_length_c 6.08093000\n_cell_angle_alpha 65.23171000\n_cell_angle_beta 89.48508000\n_cell_angle_gamma 95.07021000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.44463510\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88212600 0.46299686 0.25296312 1\n C C1 1 1.03258721 0.29828041 -0.08188408 1\n C C2 1 0.23367844 0.58314553 0.75848406 1\n C C3 1 0.87275536 0.73392559 1.04739727 1\n C C4 1 0.33231233 0.61394243 0.51026034 1\n C C5 1 0.93761362 0.26833977 0.16629125 1\n C C6 1 0.89637435 1.01030551 0.35429785 1\n C C7 1 0.39213205 0.14756193 0.62999267 1\n C C8 1 0.40236048 0.87840411 0.07049625 1\n C C9 1 0.46866665 0.15674343 0.87735146 1\n C C10 1 0.38233038 0.41861378 0.42379315 1\n C C11 1 0.79608212 0.72374781 0.80028685 1\n C C12 1 -0.13676228 0.00310483 0.60704000 1\n C C13 1 0.37082831 0.87233220 0.32190730 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48323000\n_cell_length_b 4.72145000\n_cell_length_c 6.68813000\n_cell_angle_alpha 63.99874000\n_cell_angle_beta 90.02033000\n_cell_angle_gamma 105.27838000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.38450088\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71142442 0.09636798 0.33044472 1\n C C1 1 0.56855192 0.81298987 0.12364531 1\n C C2 1 0.28398748 0.24251022 0.60084335 1\n C C3 1 1.10372505 0.87932733 0.77222735 1\n C C4 1 1.00222228 0.67964322 0.64189818 1\n C C5 1 1.00490494 0.68477668 0.27183024 1\n C C6 1 0.75936186 0.19054670 0.08041327 1\n C C7 1 0.53902838 0.75046898 0.92064417 1\n C C8 1 0.10655442 0.88585057 0.40119599 1\n C C9 1 0.35132494 0.37391655 -0.03727382 1\n C C10 1 0.39593144 0.46876655 0.71277158 1\n C C11 1 0.82206766 0.32027784 0.44458705 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43085000\n_cell_length_b 3.23892000\n_cell_length_c 5.97657000\n_cell_angle_alpha 97.41570000\n_cell_angle_beta 90.83412000\n_cell_angle_gamma 110.48879000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.61964877\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25669320 0.15160637 0.18346227 1\n C C1 1 0.14465897 0.92772799 -0.03819356 1\n C C2 1 0.81259649 0.26410170 0.29463234 1\n C C3 1 0.58849386 0.81423771 0.85066044 1\n C C4 1 0.92191114 0.48012710 0.51738853 1\n C C5 1 0.47781613 0.59268062 0.62864678 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48296000\n_cell_length_b 3.74784000\n_cell_length_c 3.84198000\n_cell_angle_alpha 90.07631000\n_cell_angle_beta 90.00933000\n_cell_angle_gamma 90.00356000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.75242244\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33893933 0.80742875 0.04503474 1\n C C1 1 0.33898653 0.07575047 0.33943620 1\n C C2 1 0.33958451 0.80829903 0.63434096 1\n C C3 1 0.83885512 0.57174444 0.04425593 1\n C C4 1 0.83898405 0.30435207 0.33872418 1\n C C5 1 0.83951536 0.57263233 0.63361678 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44281000\n_cell_length_b 4.80517000\n_cell_length_c 5.96682000\n_cell_angle_alpha 119.81114000\n_cell_angle_beta 78.12198000\n_cell_angle_gamma 104.74712000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.50608449\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87604562 0.60395832 0.46301474 1\n C C1 1 0.51596530 0.35295424 0.93863734 1\n C C2 1 1.02823790 0.20594649 0.76420838 1\n C C3 1 0.60056826 0.71097633 0.12475193 1\n C C4 1 0.34259137 0.16796105 1.10151188 1\n C C5 1 0.77647287 0.94374209 0.00909433 1\n C C6 1 0.29988590 0.37969340 0.38931059 1\n C C7 1 -0.12648863 0.86447452 0.73160377 1\n C C8 1 1.13104974 0.14825089 0.49537436 1\n C C9 1 0.05112358 0.79317087 0.30333508 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47885000\n_cell_length_b 3.68333000\n_cell_length_c 5.79783000\n_cell_angle_alpha 96.44201000\n_cell_angle_beta 77.57956000\n_cell_angle_gamma 90.06405000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.35681696\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20754894 0.08665350 0.71218499 1\n C C1 1 0.77598475 1.00834863 0.57656856 1\n C C2 1 0.44614001 0.14852672 0.23721145 1\n C C3 1 0.54344752 0.40873163 0.04197111 1\n C C4 1 -0.12892572 0.67571645 0.38633746 1\n C C5 1 0.11149413 0.32542324 -0.09290718 1\n C C6 1 0.87311548 0.26768950 0.38190645 1\n C C7 1 0.44874289 0.74158884 0.23241276 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23596000\n_cell_length_b 3.27333000\n_cell_length_c 3.27176000\n_cell_angle_alpha 99.12751000\n_cell_angle_beta 123.92302000\n_cell_angle_gamma 95.27323000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25430883\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39102683 0.86564024 0.11702217 1\n C C1 1 0.39115182 0.50554505 0.75604269 1\n C C2 1 0.77262179 0.45157631 0.86990827 1\n C C3 1 0.15394517 0.71818970 0.30627242 1\n C C4 1 0.15424999 0.07967025 0.66742048 1\n C C5 1 0.77251271 1.13444034 0.55327286 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43582000\n_cell_length_b 3.48763000\n_cell_length_c 4.65012000\n_cell_angle_alpha 67.39412000\n_cell_angle_beta 93.57474000\n_cell_angle_gamma 94.72077000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.23763353\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49527548 0.52731702 0.68648214 1\n C C1 1 0.83834935 0.86084383 0.69628327 1\n C C2 1 0.92337657 0.08531733 0.36916896 1\n C C3 1 0.78116863 0.16020594 0.85377537 1\n C C4 1 0.12381788 0.49386631 0.86370371 1\n C C5 1 0.69385221 0.93668328 0.18092571 1\n C C6 1 0.43449005 0.61689100 0.34323308 1\n C C7 1 0.18243514 0.40618239 0.20725606 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.09736000\n_cell_length_b 3.68255000\n_cell_length_c 4.59682000\n_cell_angle_alpha 117.73450000\n_cell_angle_beta 103.44092000\n_cell_angle_gamma 87.90879000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.50277530\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90172762 0.79222875 0.09042163 1\n C C1 1 0.18969957 0.31368076 -0.09167175 1\n C C2 1 0.66882066 0.07923279 0.14783154 1\n C C3 1 0.42336612 0.69994080 0.52480450 1\n C C4 1 0.19120793 0.64202440 0.23561633 1\n C C5 1 -0.09982946 0.46398480 0.76324803 1\n C C6 1 0.67136667 0.40915380 0.47352558 1\n C C7 1 0.42570028 0.02973941 0.85072204 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.76616000\n_cell_length_b 5.41984000\n_cell_length_c 6.39205000\n_cell_angle_alpha 45.67302000\n_cell_angle_beta 64.40087000\n_cell_angle_gamma 59.23283000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.46926363\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65352085 -0.02711549 0.68054459 1\n C C1 1 0.65972766 0.65650134 0.99145194 1\n C C2 1 0.36970218 0.78449843 0.15310434 1\n C C3 1 0.18134525 0.16020389 -0.03489000 1\n C C4 1 0.34383237 0.28821207 0.67520544 1\n C C5 1 0.89229446 0.28815970 0.12683740 1\n C C6 1 0.89766085 -0.02846804 0.43779961 1\n C C7 1 0.20821108 0.65638541 0.44294438 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48733000\n_cell_length_b 2.48742000\n_cell_length_c 6.57610000\n_cell_angle_alpha 100.89221000\n_cell_angle_beta 100.91382000\n_cell_angle_gamma 120.01455000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61109095\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93677067 0.85351169 0.60939723 1\n C C1 1 0.93639468 0.52092283 0.94312640 1\n C C2 1 0.93648602 0.18759319 0.27592015 1\n C C3 1 0.18705252 0.77153043 0.19312857 1\n C C4 1 0.18685915 0.43686335 0.52595308 1\n C C5 1 0.18631976 0.10402291 0.85971366 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.00986000\n_cell_length_b 4.81840000\n_cell_length_c 7.22697000\n_cell_angle_alpha 65.03636000\n_cell_angle_beta 70.12611000\n_cell_angle_gamma 65.91399000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 84.94622019\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35250916 0.41349637 0.57399385 1\n C C1 1 0.37115643 0.48401547 0.21265744 1\n C C2 1 0.37350053 0.30408931 0.10205139 1\n C C3 1 0.91940381 -0.00435491 0.41130941 1\n C C4 1 0.61498170 0.69642699 0.77546133 1\n C C5 1 0.49893808 0.91103552 0.88055011 1\n C C6 1 0.49945405 0.22965039 0.77325505 1\n C C7 1 0.37124405 0.80283690 0.10538009 1\n C C8 1 0.49704104 0.40964603 0.88382824 1\n C C9 1 -0.04791755 0.71842449 0.57470390 1\n C C10 1 0.51900372 0.30068185 0.41175099 1\n C C11 1 1.25634110 0.01701588 0.21068861 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.27838000\n_cell_length_b 4.13771000\n_cell_length_c 6.68048000\n_cell_angle_alpha 103.06856000\n_cell_angle_beta 102.53832000\n_cell_angle_gamma 110.27974000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 102.25291795\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78862227 0.19989826 0.66631299 1\n C C1 1 1.11502728 0.75888724 0.10264082 1\n C C2 1 0.78444197 0.47858914 0.38360436 1\n C C3 1 0.61388449 1.06187043 0.79858099 1\n C C4 1 0.28714098 0.89191932 -0.03217558 1\n C C5 1 0.61324698 -0.11028379 -0.03329975 1\n C C6 1 0.61708367 0.33762019 0.52424732 1\n C C7 1 0.78695854 0.75816228 0.10156994 1\n C C8 1 0.28782401 0.06399582 0.79963922 1\n C C9 1 0.28580370 0.33840219 0.52405381 1\n C C10 1 0.28383230 0.61528883 0.24133308 1\n C C11 1 0.11689532 0.20084456 0.66746890 1\n C C12 1 0.11816885 0.47688065 0.38372062 1\n C C13 1 0.61518203 0.61448740 0.24165370 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52261000\n_cell_length_b 4.30666000\n_cell_length_c 4.45453000\n_cell_angle_alpha 76.90690000\n_cell_angle_beta 82.50250000\n_cell_angle_gamma 94.66368000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.42403972\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60270300 0.33888819 0.31739211 1\n C C1 1 0.83890172 0.64084167 0.68986396 1\n C C2 1 -0.10956311 -0.04088564 0.77780965 1\n C C3 1 0.93969473 0.92864140 0.11874399 1\n C C4 1 0.30043534 0.44027391 0.81051167 1\n C C5 1 0.42918805 0.15907278 0.65706416 1\n C C6 1 0.12680143 0.26214708 0.15009894 1\n C C7 1 0.78919394 0.67222411 0.34933513 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45138000\n_cell_length_b 3.98275000\n_cell_length_c 6.16454000\n_cell_angle_alpha 47.42142000\n_cell_angle_beta 78.56467000\n_cell_angle_gamma 90.00773000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.67967929\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70805939 0.94290885 0.46646407 1\n C C1 1 0.76960001 0.76760076 0.34374113 1\n C C2 1 0.17965748 0.07339527 0.52410325 1\n C C3 1 0.02350834 -0.10957563 0.83720646 1\n C C4 1 0.45522638 0.81906417 0.97347314 1\n C C5 1 0.29752580 0.63730889 0.28660435 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50610000\n_cell_length_b 6.14970000\n_cell_length_c 4.94669000\n_cell_angle_alpha 76.48512000\n_cell_angle_beta 71.65440000\n_cell_angle_gamma 71.30959000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.79415969\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00136439 0.42192733 0.26696037 1\n C C1 1 0.95057569 0.10717100 0.13150937 1\n C C2 1 1.07636764 0.53226395 1.00260315 1\n C C3 1 0.29866839 0.17374483 0.29392091 1\n C C4 1 1.24772855 0.05396161 0.60637553 1\n C C5 1 1.03769985 0.23433920 0.81544976 1\n C C6 1 0.62297038 0.55884990 0.49477099 1\n C C7 1 0.04420693 0.72004010 0.45207476 1\n C C8 1 -0.16723539 0.90023253 0.66082558 1\n C C9 1 -0.21903588 0.78163183 0.97481653 1\n C C10 1 0.45821514 0.39527393 0.77341397 1\n C C11 1 0.12893370 0.84856619 1.13747218 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46269000\n_cell_length_b 3.39447000\n_cell_length_c 6.09463000\n_cell_angle_alpha 60.09253000\n_cell_angle_beta 78.30916000\n_cell_angle_gamma 68.67428000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.12525521\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64150616 0.82137353 0.06517887 1\n C C1 1 0.12586506 0.72688229 0.19155270 1\n C C2 1 0.09492816 0.51865644 0.46721516 1\n C C3 1 0.67927334 0.02864559 0.78969333 1\n C C4 1 0.50014354 0.58193260 0.59318517 1\n C C5 1 0.27434863 -0.03446364 0.66366897 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43239000\n_cell_length_b 6.41260000\n_cell_length_c 9.92218000\n_cell_angle_alpha 61.61388000\n_cell_angle_beta 95.84531000\n_cell_angle_gamma 79.25486000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 130.48110699\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94085683 0.55745774 -0.03799780 1\n C C1 1 0.52634220 0.85321941 0.29381607 1\n C C2 1 0.41661010 0.07450360 0.29470974 1\n C C3 1 0.71701120 1.00290296 -0.03844745 1\n C C4 1 0.38397614 0.66882686 -0.03789493 1\n C C5 1 0.19016712 0.70588976 0.62795149 1\n C C6 1 0.52384981 0.03919566 0.62837909 1\n C C7 1 0.75067602 0.40727148 0.29550365 1\n C C8 1 0.08269681 0.74165973 0.29378502 1\n C C9 1 0.60707742 0.22503656 -0.03870754 1\n C C10 1 1.05091613 0.33547553 -0.03790266 1\n C C11 1 0.86092714 0.18522558 0.29553519 1\n C C12 1 -0.03325170 0.15059231 0.62812791 1\n C C13 1 0.29931932 0.48446543 0.62733675 1\n C C14 1 -0.14351708 0.37292722 0.62756405 1\n C C15 1 0.27374158 0.89156938 -0.03889587 1\n C C16 1 0.63324132 0.81736365 0.62831056 1\n C C17 1 0.19402071 0.51882823 0.29488010 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44959000\n_cell_length_b 3.97622000\n_cell_length_c 4.53673000\n_cell_angle_alpha 92.90930000\n_cell_angle_beta 105.48546000\n_cell_angle_gamma 89.94636000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.52559383\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79029908 0.74331543 0.75713606 1\n C C1 1 0.31878003 0.55808795 0.81493008 1\n C C2 1 0.72487385 0.03794700 0.62783537 1\n C C3 1 0.47351938 0.42584378 0.12566648 1\n C C4 1 1.04150667 0.36162460 0.26163629 1\n C C5 1 0.19684168 0.22469845 0.57047392 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42702000\n_cell_length_b 4.15294000\n_cell_length_c 7.28581000\n_cell_angle_alpha 108.94649000\n_cell_angle_beta 119.76915000\n_cell_angle_gamma 90.23477000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.05626554\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93179032 0.14311592 0.39786331 1\n C C1 1 0.52925426 0.73719239 0.79752655 1\n C C2 1 0.50205917 0.52902132 0.11272042 1\n C C3 1 -0.11903883 0.59394862 0.69747351 1\n C C4 1 0.89390586 0.98204312 1.04005044 1\n C C5 1 0.56457031 0.90328956 0.15452227 1\n C C6 1 -0.04029725 0.35746176 0.08339737 1\n C C7 1 0.58126186 0.28461730 0.49864503 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48499000\n_cell_length_b 4.67566000\n_cell_length_c 4.78429000\n_cell_angle_alpha 103.76402000\n_cell_angle_beta 121.32854000\n_cell_angle_gamma 74.55914000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.43444519\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56270658 0.46408974 -0.05395061 1\n C C1 1 0.81270719 0.15164832 0.53989653 1\n C C2 1 0.83626030 0.46647621 0.72085883 1\n C C3 1 0.50395277 0.00752478 0.65833710 1\n C C4 1 0.51572706 1.03601893 0.18435034 1\n C C5 1 0.75436719 0.69465761 0.25258014 1\n C C6 1 0.48061695 0.69268801 0.47792826 1\n C C7 1 0.80247636 0.12191041 0.01421990 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48112000\n_cell_length_b 4.83698000\n_cell_length_c 3.68912000\n_cell_angle_alpha 122.55471000\n_cell_angle_beta 109.68884000\n_cell_angle_gamma 75.12157000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97627627\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48048076 0.62824410 1.04945316 1\n C C1 1 0.90215378 0.49740367 0.76196070 1\n C C2 1 0.70478450 0.42165628 0.28925714 1\n C C3 1 0.22430092 0.19956520 0.10703261 1\n C C4 1 1.02775519 0.12373501 0.63408917 1\n C C5 1 0.44924095 0.99296635 0.34661433 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47342000\n_cell_length_b 5.45983000\n_cell_length_c 4.23433000\n_cell_angle_alpha 90.06598000\n_cell_angle_beta 90.00262000\n_cell_angle_gamma 89.99079000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.18227057\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28846812 0.89288132 0.18995995 1\n C C1 1 0.78837536 0.89393995 0.70086791 1\n C C2 1 0.28874964 0.41677348 0.18874279 1\n C C3 1 0.28856902 0.15483999 1.05324213 1\n C C4 1 0.78851805 0.15435264 0.83162654 1\n C C5 1 0.78866910 0.41415736 0.70005920 1\n C C6 1 -0.21152482 0.78866260 0.03218988 1\n C C7 1 0.78867683 0.52111945 0.03142706 1\n C C8 1 0.28866285 0.50035541 0.52837548 1\n C C9 1 0.28841255 0.80642689 0.52921204 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43089000\n_cell_length_b 3.87551000\n_cell_length_c 7.64927000\n_cell_angle_alpha 93.28332000\n_cell_angle_beta 99.06049000\n_cell_angle_gamma 89.89237000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.04546492\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74205995 0.50159041 0.59542882 1\n C C1 1 0.53843787 0.70237814 0.19504027 1\n C C2 1 -0.05902161 0.30147624 -0.00446128 1\n C C3 1 0.07156673 0.83644170 0.26119452 1\n C C4 1 0.47326485 0.43599552 0.06145957 1\n C C5 1 0.13918072 0.10229132 0.39504182 1\n C C6 1 0.27677824 0.63533769 0.66185285 1\n C C7 1 0.34351591 -0.09898281 0.79578896 1\n C C8 1 0.87650358 1.03533122 0.86184766 1\n C C9 1 0.67390937 0.23600777 0.46147221 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45115000\n_cell_length_b 3.39906000\n_cell_length_c 5.64182000\n_cell_angle_alpha 67.91993000\n_cell_angle_beta 102.17133000\n_cell_angle_gamma 110.72858000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.57397648\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08285516 0.13485292 0.29244022 1\n C C1 1 0.11270806 0.90771924 0.56936763 1\n C C2 1 0.47415318 0.04607814 0.16054366 1\n C C3 1 0.23692473 0.63465772 0.10159765 1\n C C4 1 0.60967895 0.77641560 0.69279508 1\n C C5 1 0.63002751 0.54663108 0.96962285 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46687000\n_cell_length_b 4.17093000\n_cell_length_c 8.22038000\n_cell_angle_alpha 88.67052000\n_cell_angle_beta 82.03778000\n_cell_angle_gamma 89.99695000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 83.74229236\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96525866 0.43835167 0.82004964 1\n C C1 1 0.62588047 0.42634607 0.15496241 1\n C C2 1 0.96272157 0.10421418 0.82604898 1\n C C3 1 0.62773281 0.28881026 0.48382992 1\n C C4 1 0.62819749 0.62394195 0.48244104 1\n C C5 1 0.46500063 0.60469914 0.82054479 1\n C C6 1 0.46205188 -0.06197632 0.82748889 1\n C C7 1 0.12800299 0.42638923 0.15460774 1\n C C8 1 0.12896515 0.78931368 0.48065466 1\n C C9 1 0.12822965 0.12353965 0.48268792 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52641000\n_cell_length_b 5.17894000\n_cell_length_c 6.68862000\n_cell_angle_alpha 72.53817000\n_cell_angle_beta 92.96188000\n_cell_angle_gamma 93.36287000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.28470467\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23705210 0.13828858 0.19699300 1\n C C1 1 0.35557485 0.77317324 0.54109623 1\n C C2 1 0.72677941 0.21539682 0.05594848 1\n C C3 1 0.20575028 0.65712039 -0.00969844 1\n C C4 1 0.06135681 0.22432915 0.52587756 1\n C C5 1 0.25772373 0.82815607 0.32219102 1\n C C6 1 0.78676618 0.09713183 0.87835823 1\n C C7 1 0.22590111 0.61978469 0.22084706 1\n C C8 1 0.65952636 0.51957683 -0.06577816 1\n C C9 1 0.93342053 0.34642072 0.68795920 1\n C C10 1 0.21030938 0.33864321 0.32428945 1\n C C11 1 0.25190836 0.93980793 0.85603139 1\n C C12 1 0.48669018 0.51278858 0.70250445 1\n C C13 1 0.20192552 -0.03749435 0.63021712 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.82709000\n_cell_length_b 4.83288000\n_cell_length_c 5.99178000\n_cell_angle_alpha 59.79409000\n_cell_angle_beta 74.14358000\n_cell_angle_gamma 56.96978000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 101.27801560\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69512660 0.63952641 0.15484079 1\n C C1 1 0.68402537 0.74154943 0.60589985 1\n C C2 1 0.73243820 0.28978441 0.32717542 1\n C C3 1 0.05250301 0.08086131 0.43168958 1\n C C4 1 0.18630723 0.72133056 0.61314727 1\n C C5 1 0.14937894 1.16003574 -0.10481238 1\n C C6 1 0.95813051 -0.01294676 -0.01566370 1\n C C7 1 0.46976358 0.99341195 0.98018515 1\n C C8 1 0.22097285 0.28349624 0.33140424 1\n C C9 1 0.63834080 0.19598119 -0.11981144 1\n C C10 1 0.00663500 0.53547444 0.70728858 1\n C C11 1 0.54112693 0.11686940 0.41687112 1\n C C12 1 0.99496477 0.63745413 0.15632281 1\n C C13 1 0.50435800 0.55581846 0.69950911 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48479000\n_cell_length_b 6.35976000\n_cell_length_c 7.11035000\n_cell_angle_alpha 58.64571000\n_cell_angle_beta 90.02019000\n_cell_angle_gamma 78.74550000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.40941772\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26413871 0.71364935 0.34051964 1\n C C1 1 0.35560831 0.53151260 0.03825465 1\n C C2 1 1.02544205 0.19438674 0.06551332 1\n C C3 1 -0.03769555 0.31182720 0.48502622 1\n C C4 1 0.54127501 0.15443440 0.52907527 1\n C C5 1 0.14904920 0.93953155 0.09997170 1\n C C6 1 0.80581099 0.62867279 0.08775061 1\n C C7 1 0.56323719 0.10346997 0.76757565 1\n C C8 1 0.62382684 0.99348690 0.43519632 1\n C C9 1 0.91020704 0.41720344 0.81347413 1\n C C10 1 0.21027831 0.81995955 0.50207678 1\n C C11 1 0.50901040 0.22771722 0.16552834 1\n C C12 1 0.83178570 0.57704448 0.32701782 1\n C C13 1 0.98401871 0.26231669 0.71419122 1\n C C14 1 0.66754273 0.90248385 -0.00267886 1\n C C15 1 0.33188216 0.57477894 0.77875458 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28338000\n_cell_length_b 4.28770000\n_cell_length_c 5.41245000\n_cell_angle_alpha 113.34703000\n_cell_angle_beta 52.65198000\n_cell_angle_gamma 130.79084000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.86068991\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66305610 0.44033516 0.41980546 1\n C C1 1 0.38166385 0.07213234 0.24035444 1\n C C2 1 0.38172542 0.70997315 0.24018598 1\n C C3 1 0.66294869 0.80239422 0.41990256 1\n C C4 1 0.34236996 0.94017427 0.74029666 1\n C C5 1 0.70224289 0.57193209 0.91968950 1\n C C6 1 0.34242709 0.30210661 0.74025285 1\n C C7 1 0.70219309 0.20987857 -0.08027846 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.92188000\n_cell_length_b 4.63215000\n_cell_length_c 3.97066000\n_cell_angle_alpha 122.07023000\n_cell_angle_beta 104.05983000\n_cell_angle_gamma 97.16792000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.39870812\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48266104 0.92895823 0.13337665 1\n C C1 1 0.23059903 0.76077840 0.71814961 1\n C C2 1 0.73265770 0.42894202 0.88339463 1\n C C3 1 -0.01729355 -0.07101174 0.63339154 1\n C C4 1 0.23277886 0.42904129 0.38335809 1\n C C5 1 0.98058211 0.26074635 0.96820486 1\n C C6 1 0.73046810 0.76068615 0.21820242 1\n C C7 1 0.48054061 0.26072559 0.46820581 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48762000\n_cell_length_b 4.54627000\n_cell_length_c 7.27658000\n_cell_angle_alpha 100.41398000\n_cell_angle_beta 59.14722000\n_cell_angle_gamma 90.03250000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.06948578\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87164251 0.57265622 0.59660661 1\n C C1 1 0.11434231 0.25023652 0.10159543 1\n C C2 1 0.88752093 0.04004366 0.25276077 1\n C C3 1 0.21402506 0.64830389 0.36823231 1\n C C4 1 0.92390195 0.55560420 0.22861977 1\n C C5 1 0.83769743 0.80300389 0.95209464 1\n C C6 1 0.85472153 0.20964308 0.60956324 1\n C C7 1 0.15199012 0.76104519 0.07564161 1\n C C8 1 0.21107776 0.73555395 0.70367966 1\n C C9 1 0.81584249 0.15032880 0.96684484 1\n C C10 1 0.19482644 1.01020149 0.38194954 1\n C C11 1 0.19511967 0.10663630 0.71589619 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51429000\n_cell_length_b 4.18510000\n_cell_length_c 4.18555000\n_cell_angle_alpha 109.87053000\n_cell_angle_beta 107.38672000\n_cell_angle_gamma 107.36811000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.38334932\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61192723 0.12438808 0.13131620 1\n C C1 1 0.76160059 0.08046022 0.47566809 1\n C C2 1 0.28102018 0.79348144 0.80066989 1\n C C3 1 0.12952715 0.44918870 0.84417986 1\n C C4 1 0.76185841 0.46888442 0.08734298 1\n C C5 1 0.12981184 0.83724034 0.45633989 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47851000\n_cell_length_b 2.47849000\n_cell_length_c 6.77973000\n_cell_angle_alpha 68.54947000\n_cell_angle_beta 111.45542000\n_cell_angle_gamma 120.03265000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68408517\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00634495 0.43037373 0.86535813 1\n C C1 1 0.56107946 0.87223363 0.19973606 1\n C C2 1 0.28389368 0.14946603 0.28373223 1\n C C3 1 0.84093350 0.59472254 0.61805348 1\n C C4 1 0.45161445 0.98300215 0.53470170 1\n C C5 1 0.39483735 1.04080332 0.94873439 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51607000\n_cell_length_b 4.50243000\n_cell_length_c 6.52704000\n_cell_angle_alpha 79.79767000\n_cell_angle_beta 90.04601000\n_cell_angle_gamma 89.98404000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.77195261\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33322957 0.47912152 0.14842897 1\n C C1 1 0.83366649 0.47720872 0.82077250 1\n C C2 1 0.83428469 0.24214365 0.48462583 1\n C C3 1 0.33408354 0.40755820 0.38908571 1\n C C4 1 0.83265866 -0.00015833 0.06170979 1\n C C5 1 -0.16584644 0.87861934 0.49436803 1\n C C6 1 0.83312092 -0.01185521 0.83728037 1\n C C7 1 0.33283921 -0.16543854 0.15780525 1\n C C8 1 0.83309563 0.36351501 1.05173035 1\n C C9 1 0.33393514 0.76363144 0.39744280 1\n C C10 1 0.83402876 0.25522175 0.70860270 1\n C C11 1 -0.16593366 0.76546905 0.72650180 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.82471000\n_cell_length_b 4.82080000\n_cell_length_c 4.82669000\n_cell_angle_alpha 108.07096000\n_cell_angle_beta 60.03701000\n_cell_angle_gamma 59.96482000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.98780022\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88946895 -0.07243940 0.49163135 1\n C C1 1 0.76305663 -0.10832376 0.28064305 1\n C C2 1 0.38754065 0.75461139 0.66955790 1\n C C3 1 0.38965687 0.92720671 0.49180296 1\n C C4 1 0.88827409 0.75366341 0.66923022 1\n C C5 1 0.01589827 0.13870750 0.52693785 1\n C C6 1 0.76139775 0.54278984 0.63413231 1\n C C7 1 1.01424698 0.78985221 0.88050977 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51750000\n_cell_length_b 4.42035000\n_cell_length_c 6.36529000\n_cell_angle_alpha 123.53793000\n_cell_angle_beta 92.93566000\n_cell_angle_gamma 78.78485000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.77726276\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95626415 0.08425209 0.51243384 1\n C C1 1 0.32562678 0.08380401 0.86135124 1\n C C2 1 0.31911413 0.23327120 0.14994870 1\n C C3 1 0.45520852 0.87574642 0.13725308 1\n C C4 1 0.54017631 -0.13755459 0.36295833 1\n C C5 1 0.79520953 0.20538339 0.79001372 1\n C C6 1 -0.23579138 0.45854854 0.29792402 1\n C C7 1 0.87575571 0.47002412 0.54500247 1\n C C8 1 0.53122438 0.58960703 0.90340798 1\n C C9 1 0.37082007 0.66391269 0.70907021 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48792000\n_cell_length_b 4.30541000\n_cell_length_c 4.30361000\n_cell_angle_alpha 99.57663000\n_cell_angle_beta 89.99178000\n_cell_angle_gamma 73.20336000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.45964805\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59892817 0.06112189 0.21346811 1\n C C1 1 1.09886365 0.06114308 0.71346001 1\n C C2 1 0.03607843 0.18622163 0.40065843 1\n C C3 1 0.28591078 0.68617964 0.65042539 1\n C C4 1 0.78630768 0.68620781 0.15045876 1\n C C5 1 0.34909558 0.56113136 0.96323591 1\n C C6 1 0.53617722 0.18619192 0.90068137 1\n C C7 1 -0.15134841 0.56111318 0.46321112 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.82092000\n_cell_length_b 4.93939000\n_cell_length_c 5.52482000\n_cell_angle_alpha 55.94849000\n_cell_angle_beta 44.93126000\n_cell_angle_gamma 57.91954000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.37600744\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41165185 0.67033457 0.65556644 1\n C C1 1 0.73849810 0.34299916 0.65570614 1\n C C2 1 -0.10867075 0.72805601 0.88637921 1\n C C3 1 0.56463977 0.05408971 0.88667582 1\n C C4 1 0.85015254 0.81609201 0.36165351 1\n C C5 1 0.02403122 0.10513725 0.13086364 1\n C C6 1 1.17699634 0.48867254 0.36187520 1\n C C7 1 0.69736083 0.43123196 0.13122915 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47947000\n_cell_length_b 3.68538000\n_cell_length_c 4.21290000\n_cell_angle_alpha 75.18078000\n_cell_angle_beta 90.14223000\n_cell_angle_gamma 109.52932000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.92917657\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97389490 0.86491529 0.46047752 1\n C C1 1 0.85722123 0.62303996 0.83320203 1\n C C2 1 0.39546253 0.70777707 0.32957601 1\n C C3 1 0.43532982 0.77950337 0.96437930 1\n C C4 1 0.65560712 0.22460278 0.75832091 1\n C C5 1 0.17445630 0.26293473 0.53564054 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.12230000\n_cell_length_b 4.75325000\n_cell_length_c 7.66235000\n_cell_angle_alpha 114.15736000\n_cell_angle_beta 109.16235000\n_cell_angle_gamma 105.19851000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.02244430\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32804255 0.88530296 -0.01641425 1\n C C1 1 -0.00314359 -0.01630240 0.32133992 1\n C C2 1 0.17708403 0.33786352 0.41438252 1\n C C3 1 -0.07014197 0.45185525 0.29037132 1\n C C4 1 0.91212997 0.28713672 0.77809539 1\n C C5 1 0.58678961 0.62795762 0.62109558 1\n C C6 1 1.17336490 0.81308331 0.41447403 1\n C C7 1 0.59051093 0.93608485 0.62029806 1\n C C8 1 0.33175239 0.40951051 -0.01688401 1\n C C9 1 0.51000409 0.23902245 1.07586379 1\n C C10 1 0.91579019 0.59572006 0.77755892 1\n C C11 1 0.57640960 0.77069615 0.10695172 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46042000\n_cell_length_b 8.20802000\n_cell_length_c 6.60876000\n_cell_angle_alpha 86.00780000\n_cell_angle_beta 95.70080000\n_cell_angle_gamma 80.64053000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 130.53597679\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.56590847 0.76258540 0.32817290 1\n C C1 1 0.05513752 0.57341618 0.56568356 1\n C C2 1 0.90631269 0.47185683 0.39509395 1\n C C3 1 0.99686570 0.00657639 0.38727390 1\n C C4 1 0.13309619 0.63504053 0.88308315 1\n C C5 1 0.34029432 0.36265642 0.13538851 1\n C C6 1 0.43620331 0.36683030 0.37039931 1\n C C7 1 0.54592663 0.73507869 0.80435204 1\n C C8 1 0.00853769 0.22829690 0.67192928 1\n C C9 1 0.83792975 0.29708843 0.03580098 1\n C C10 1 0.47600469 0.22404319 0.53777311 1\n C C11 1 0.71154143 0.60344038 0.22075440 1\n C C12 1 0.01186729 0.86234462 0.26845764 1\n C C13 1 0.20880403 0.56478771 1.10255392 1\n C C14 1 0.81235662 0.11811855 0.97608748 1\n C C15 1 0.47921445 0.07080536 0.43740600 1\n C C16 1 0.43169400 0.89960193 0.91049698 1\n C C17 1 0.94018111 0.92623432 0.04231297 1\n C C18 1 -0.19442094 0.37664121 0.80643507 1\n C C19 1 0.21779119 0.48217989 0.76673526 1\n C C20 1 0.26609106 0.09638879 0.84463280 1\n C C21 1 0.52711640 0.68721059 0.56004109 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47026000\n_cell_length_b 4.32241000\n_cell_length_c 7.26942000\n_cell_angle_alpha 111.75647000\n_cell_angle_beta 92.54571000\n_cell_angle_gamma 104.71555000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.89084657\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61362936 0.95377438 0.89083424 1\n C C1 1 0.08862156 0.23207943 0.41670025 1\n C C2 1 0.01774029 0.55102966 0.38699226 1\n C C3 1 1.01843064 0.77745235 0.76768624 1\n C C4 1 0.44453773 0.46840715 0.24463794 1\n C C5 1 0.59890556 0.90475856 0.08819633 1\n C C6 1 0.19017454 0.08047860 0.20349817 1\n C C7 1 0.42382220 0.52240979 0.05128310 1\n C C8 1 0.81264901 0.39253091 0.73267034 1\n C C9 1 0.81600442 0.34486602 0.93068483 1\n C C10 1 0.19477834 0.20571298 0.60692611 1\n C C11 1 0.06402936 0.83859725 0.57963298 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53477000\n_cell_length_b 2.40003000\n_cell_length_c 9.04920000\n_cell_angle_alpha 66.51228000\n_cell_angle_beta 89.23923000\n_cell_angle_gamma 89.91911000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.48489886\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65571123 0.94685819 0.65066509 1\n C C1 1 0.65126156 0.09203516 0.22115922 1\n C C2 1 0.66682215 0.05590948 0.91063629 1\n C C3 1 0.16255481 0.91254584 1.00684863 1\n C C4 1 0.15650465 0.23419355 0.12522058 1\n C C5 1 0.64475173 0.82994921 0.39635750 1\n C C6 1 0.66369847 0.31891625 0.73537586 1\n C C7 1 0.64561589 0.20297202 0.48106832 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49093000\n_cell_length_b 3.59230000\n_cell_length_c 4.35487000\n_cell_angle_alpha 84.29837000\n_cell_angle_beta 73.40453000\n_cell_angle_gamma 69.68572000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02213497\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19353958 0.21887620 0.09543019 1\n C C1 1 0.90395625 0.58911791 0.30153351 1\n C C2 1 0.29813470 0.58904044 0.51380773 1\n C C3 1 1.01137412 -0.04020552 0.71950562 1\n C C4 1 0.38101202 0.21883318 0.71964306 1\n C C5 1 -0.17757966 0.96002089 0.09564300 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48112000\n_cell_length_b 3.68904000\n_cell_length_c 4.21726000\n_cell_angle_alpha 75.26977000\n_cell_angle_beta 90.01368000\n_cell_angle_gamma 109.63347000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00718037\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17521827 0.38231683 0.39052015 1\n C C1 1 0.43375326 0.89943249 0.81874704 1\n C C2 1 0.75340567 0.53896200 0.52161520 1\n C C3 1 0.20982917 0.45407545 1.02509215 1\n C C4 1 0.63123773 0.29711954 0.89424588 1\n C C5 1 0.95269071 0.93716059 0.59686608 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51696000\n_cell_length_b 6.18329000\n_cell_length_c 8.38405000\n_cell_angle_alpha 102.54211000\n_cell_angle_beta 90.76007000\n_cell_angle_gamma 89.60760000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 127.35576631\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02673269 0.08042393 0.61690875 1\n C C1 1 0.97090745 0.52376948 0.84234127 1\n C C2 1 -0.02892465 0.77226259 0.82924146 1\n C C3 1 0.45092820 1.14195778 0.24460514 1\n C C4 1 -0.07121077 0.97486855 0.97644241 1\n C C5 1 0.48787096 0.65681162 0.23659948 1\n C C6 1 0.95759672 0.17701541 0.32789628 1\n C C7 1 0.48506322 0.79026082 0.72554780 1\n C C8 1 0.98480671 0.66365944 0.47576371 1\n C C9 1 0.46507577 0.40991836 0.76029583 1\n C C10 1 0.49317375 0.52554067 0.08904851 1\n C C11 1 0.48271753 0.38735513 0.57898966 1\n C C12 1 0.32553147 0.18865145 0.78343462 1\n C C13 1 0.42588921 1.05705515 1.06359281 1\n C C14 1 0.99273085 0.44607124 1.00487830 1\n C C15 1 0.52804784 -0.00043388 0.67055999 1\n C C16 1 0.98319640 0.25262011 0.51375514 1\n C C17 1 0.98771501 0.68703947 0.32245611 1\n C C18 1 0.13479452 0.18931943 0.94527673 1\n C C19 1 1.48614183 0.62541153 0.55932890 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31468000\n_cell_length_b 3.62529000\n_cell_length_c 5.59889000\n_cell_angle_alpha 85.76525000\n_cell_angle_beta 88.11501000\n_cell_angle_gamma 74.72243000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.71891032\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79404300 0.24764794 0.09281866 1\n C C1 1 0.37745541 0.84037922 0.88419089 1\n C C2 1 0.39666994 0.17971682 0.72943723 1\n C C3 1 0.71789495 0.13394473 0.52739547 1\n C C4 1 0.64320378 0.45181531 0.86289845 1\n C C5 1 1.13676397 0.91835492 0.08894227 1\n C C6 1 0.56443233 0.33619369 0.29727932 1\n C C7 1 -0.03613952 0.40634600 0.65910781 1\n C C8 1 0.98075298 0.74540955 0.50427090 1\n C C9 1 0.22196496 0.66417612 0.30045450 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44458000\n_cell_length_b 4.80459000\n_cell_length_c 5.49309000\n_cell_angle_alpha 109.55658000\n_cell_angle_beta 89.99229000\n_cell_angle_gamma 104.75796000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.53277959\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69483892 0.80331284 0.35061449 1\n C C1 1 0.22729994 0.87772967 0.98805726 1\n C C2 1 0.69689812 0.81082373 0.61870237 1\n C C3 1 0.79345069 1.00981948 0.89651942 1\n C C4 1 0.26974615 0.95369568 0.27656567 1\n C C5 1 0.05346984 0.52952551 0.82583050 1\n C C6 1 0.54034082 0.50206767 0.65128374 1\n C C7 1 0.43816026 0.29043633 0.38306178 1\n C C8 1 -0.03163210 0.35809911 0.01269512 1\n C C9 1 0.51865307 0.45376568 0.19110546 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.89345000\n_cell_length_b 2.42474000\n_cell_length_c 8.34916000\n_cell_angle_alpha 63.02296000\n_cell_angle_beta 58.76292000\n_cell_angle_gamma 87.29586000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.25404078\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.14066867 0.60398368 0.00874846 1\n C C1 1 0.80702776 0.60378796 0.34204930 1\n C C2 1 0.25138594 0.26944908 0.89790373 1\n C C3 1 0.58571561 0.26927548 0.56446153 1\n C C4 1 0.91766930 0.26909262 0.23127434 1\n C C5 1 0.47490712 0.60397088 0.67536384 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48735000\n_cell_length_b 4.30612000\n_cell_length_c 4.30369000\n_cell_angle_alpha 119.98390000\n_cell_angle_beta 73.25074000\n_cell_angle_gamma 125.25598000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60351893\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94948855 0.13910873 0.68218251 1\n C C1 1 0.19967418 0.22248587 0.34892159 1\n C C2 1 1.19967418 0.55581920 1.01558825 1\n C C3 1 -0.05051145 0.80577540 0.01551585 1\n C C4 1 0.19967418 -0.11084746 0.68225492 1\n C C5 1 0.94948855 0.47244206 0.34884918 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42574000\n_cell_length_b 3.92289000\n_cell_length_c 7.21412000\n_cell_angle_alpha 93.42795000\n_cell_angle_beta 76.62271000\n_cell_angle_gamma 64.86976000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.48323460\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10410930 0.56335376 0.77451864 1\n C C1 1 0.89671673 0.22891191 0.10717880 1\n C C2 1 0.39531634 0.48053216 0.85768002 1\n C C3 1 0.39659571 0.97913402 0.35720257 1\n C C4 1 0.89566553 -0.26986723 0.60755696 1\n C C5 1 0.39626319 0.31276573 0.02432980 1\n C C6 1 0.89778020 1.06127968 0.27385278 1\n C C7 1 0.39621750 -0.18710993 0.52433823 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45251000\n_cell_length_b 5.91512000\n_cell_length_c 4.55662000\n_cell_angle_alpha 136.64238000\n_cell_angle_beta 105.52901000\n_cell_angle_gamma 78.06341000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.71849747\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81973474 0.18996786 0.93273736 1\n C C1 1 0.24936717 0.69613432 0.29641745 1\n C C2 1 0.77926023 0.50591605 0.16554748 1\n C C3 1 0.35058496 0.99993015 0.80254195 1\n C C4 1 0.08712674 0.82146969 0.09461765 1\n C C5 1 0.51629696 0.87622273 0.00618190 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48470000\n_cell_length_b 3.82443000\n_cell_length_c 5.78452000\n_cell_angle_alpha 73.94545000\n_cell_angle_beta 64.51229000\n_cell_angle_gamma 71.01411000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31456133\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66444984 0.72674307 0.63446883 1\n C C1 1 -0.05946506 1.39509152 1.02640780 1\n C C2 1 0.44561535 0.17279383 0.13244358 1\n C C3 1 0.50768299 0.15476388 0.57736252 1\n C C4 1 -0.01781756 0.65147091 0.35471400 1\n C C5 1 0.17006606 0.50423170 0.74042566 1\n C C6 1 0.12628561 0.24824692 0.41223738 1\n C C7 1 0.60199886 0.74472987 0.18939813 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42628000\n_cell_length_b 4.81434000\n_cell_length_c 6.35574000\n_cell_angle_alpha 113.99796000\n_cell_angle_beta 101.01364000\n_cell_angle_gamma 59.68769000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.54171569\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.15744293 0.80852167 0.78274063 1\n C C1 1 0.62765272 0.19343801 0.49300667 1\n C C2 1 1.03298317 0.59245547 0.09883309 1\n C C3 1 0.50066431 -0.02031000 0.81245824 1\n C C4 1 0.14891453 0.35265707 0.85388908 1\n C C5 1 0.22194072 1.04942352 0.39338120 1\n C C6 1 0.43888582 0.73608198 0.19830677 1\n C C7 1 0.51016200 0.43421038 0.73874102 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67313000\n_cell_length_b 4.64103000\n_cell_length_c 4.34781000\n_cell_angle_alpha 93.89955000\n_cell_angle_beta 108.15483000\n_cell_angle_gamma 124.78877000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.84129388\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46404705 0.87540686 0.76920401 1\n C C1 1 1.13562065 0.50151939 0.48127322 1\n C C2 1 0.44800711 0.17965309 0.67270359 1\n C C3 1 1.08687948 0.16938987 0.60772640 1\n C C4 1 0.00420685 -0.09692889 0.07697414 1\n C C5 1 0.74825712 0.47323809 0.30099673 1\n C C6 1 0.43065621 0.11190437 0.30238066 1\n C C7 1 0.80116848 0.49703670 0.96939427 1\n C C8 1 0.46262690 0.81887517 0.12586714 1\n C C9 1 0.11340846 0.46892475 0.10737732 1\n C C10 1 0.80802236 0.84122504 0.31064697 1\n C C11 1 -0.07508484 0.09861047 0.87029144 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48436000\n_cell_length_b 3.82411000\n_cell_length_c 5.22763000\n_cell_angle_alpha 99.00585000\n_cell_angle_beta 90.01120000\n_cell_angle_gamma 108.93795000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.32829403\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41312414 0.13438848 0.50874529 1\n C C1 1 0.80189967 -0.08736040 0.40265381 1\n C C2 1 0.62809459 0.56294086 0.56609866 1\n C C3 1 0.17590862 0.65809084 0.73056609 1\n C C4 1 0.92539184 0.15655611 0.95299190 1\n C C5 1 0.74868390 0.80659391 0.11632362 1\n C C6 1 0.37786080 1.06176278 0.78859055 1\n C C7 1 0.13729504 0.58404232 0.01018038 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46477000\n_cell_length_b 4.25127000\n_cell_length_c 8.82532000\n_cell_angle_alpha 62.30923000\n_cell_angle_beta 97.98907000\n_cell_angle_gamma 89.97892000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.86643727\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54799593 0.94500126 0.50449890 1\n C C1 1 0.22855730 0.09259440 0.87673270 1\n C C2 1 0.63828937 0.61923781 0.69316874 1\n C C3 1 0.27543515 0.34829535 0.96109538 1\n C C4 1 1.00968476 0.86846763 0.42515652 1\n C C5 1 0.13771380 0.42209356 0.69287526 1\n C C6 1 0.91520890 0.06712514 0.23536357 1\n C C7 1 0.04887462 0.45187266 0.50693472 1\n C C8 1 0.73430211 0.57805309 0.88272433 1\n C C9 1 0.53881101 0.30031083 0.48593678 1\n C C10 1 0.74011016 0.89913863 0.89955279 1\n C C11 1 0.37266009 0.15880972 0.15036960 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47522000\n_cell_length_b 3.72227000\n_cell_length_c 4.24952000\n_cell_angle_alpha 64.01533000\n_cell_angle_beta 89.97734000\n_cell_angle_gamma 89.96407000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.19478429\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02073018 1.03590444 0.49876293 1\n C C1 1 0.52110660 0.05588116 0.27591726 1\n C C2 1 0.02106599 0.60099277 0.77667637 1\n C C3 1 0.52097338 0.49031829 0.99806251 1\n C C4 1 0.52090656 0.64741545 0.27597664 1\n C C5 1 1.02088170 0.44455598 0.49858089 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43673000\n_cell_length_b 5.73405000\n_cell_length_c 4.68168000\n_cell_angle_alpha 52.35957000\n_cell_angle_beta 104.89707000\n_cell_angle_gamma 115.09452000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.90917116\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38281283 0.15088416 0.79348451 1\n C C1 1 0.70720136 0.97382991 -0.20628932 1\n C C2 1 0.84121280 0.70711614 0.59089863 1\n C C3 1 0.50198325 -0.07962317 0.48694823 1\n C C4 1 0.57072983 0.18074043 0.10748763 1\n C C5 1 0.84065582 0.50478951 -0.00451594 1\n C C6 1 0.56979442 0.49459902 0.47947857 1\n C C7 1 0.49940100 0.61350240 1.09994479 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47969000\n_cell_length_b 2.56492000\n_cell_length_c 5.72939000\n_cell_angle_alpha 89.77742000\n_cell_angle_beta 102.43053000\n_cell_angle_gamma 89.94111000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.58553086\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58384004 0.94812930 0.43492759 1\n C C1 1 0.15995620 0.94641063 0.58913163 1\n C C2 1 0.50538852 0.44910461 0.27451419 1\n C C3 1 0.93291598 0.44819720 0.12943322 1\n C C4 1 0.23865533 0.44354082 0.74973326 1\n C C5 1 0.81101403 0.44319884 0.89414122 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06212000\n_cell_length_b 4.91216000\n_cell_length_c 7.29028000\n_cell_angle_alpha 112.63449000\n_cell_angle_beta 117.20361000\n_cell_angle_gamma 68.29347000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.46872174\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74440927 0.53267125 0.87106068 1\n C C1 1 0.23201621 0.04551766 0.87109821 1\n C C2 1 -0.02817599 0.94971255 0.19746105 1\n C C3 1 0.77513243 0.76250434 0.50676207 1\n C C4 1 0.52253998 0.34415130 0.66649886 1\n C C5 1 0.45732730 0.44469400 0.18808757 1\n C C6 1 0.15783619 0.34564898 0.98404790 1\n C C7 1 0.64075349 0.84073312 0.97530265 1\n C C8 1 0.83624574 1.02809070 0.66610052 1\n C C9 1 0.38059967 0.74460559 0.30128687 1\n C C10 1 0.87064505 0.25788079 0.30159801 1\n C C11 1 0.09062948 0.44653660 0.50654491 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48188000\n_cell_length_b 3.74012000\n_cell_length_c 3.84657000\n_cell_angle_alpha 90.00826000\n_cell_angle_beta 90.00324000\n_cell_angle_gamma 90.00564000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.70589707\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23478170 0.66466160 0.26605035 1\n C C1 1 0.23472390 0.39823738 0.56104342 1\n C C2 1 0.73462146 0.16058354 0.56097977 1\n C C3 1 0.73474761 0.89410850 0.26599247 1\n C C4 1 0.73442283 0.16044980 -0.02929102 1\n C C5 1 0.23452910 0.39819348 0.97078051 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48123000\n_cell_length_b 3.68796000\n_cell_length_c 4.21798000\n_cell_angle_alpha 75.00816000\n_cell_angle_beta 89.94220000\n_cell_angle_gamma 70.36792000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.95942728\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82635880 0.49592629 0.88099091 1\n C C1 1 0.28393661 0.58470576 0.37646193 1\n C C2 1 0.70518341 0.74193603 0.50701090 1\n C C3 1 1.02796911 0.09837887 0.80515722 1\n C C4 1 0.24829984 0.65256740 0.01160740 1\n C C5 1 0.50746503 0.13903275 0.58285283 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51292000\n_cell_length_b 4.79465000\n_cell_length_c 5.87589000\n_cell_angle_alpha 65.20319000\n_cell_angle_beta 77.35232000\n_cell_angle_gamma 74.54766000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.47881756\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20749307 0.44104976 0.53742246 1\n C C1 1 0.73748958 0.03718406 0.87836959 1\n C C2 1 0.28137842 0.58721742 0.24254114 1\n C C3 1 0.30622057 1.07448212 0.70792012 1\n C C4 1 0.53639160 1.02101831 0.29530396 1\n C C5 1 0.45743039 0.33758438 0.14009736 1\n C C6 1 0.59827415 0.55648207 0.63785633 1\n C C7 1 0.71592369 0.80190204 0.15604464 1\n C C8 1 0.47516875 0.89293279 0.55087547 1\n C C9 1 0.56979338 0.34962574 0.90002342 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45003000\n_cell_length_b 3.36378000\n_cell_length_c 7.55245000\n_cell_angle_alpha 98.97305000\n_cell_angle_beta 99.34566000\n_cell_angle_gamma 68.68841000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.89741093\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11757558 1.19431419 0.29784246 1\n C C1 1 0.65682729 0.20609349 0.38975097 1\n C C2 1 0.72721755 0.26053145 0.58582612 1\n C C3 1 1.17619492 0.45527273 0.67700071 1\n C C4 1 0.03274945 1.17189389 0.10534354 1\n C C5 1 0.42058453 0.10682855 0.81730693 1\n C C6 1 0.49226483 0.16008677 0.01324900 1\n C C7 1 -0.02840046 -0.08716237 0.72644616 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42631000\n_cell_length_b 4.81640000\n_cell_length_c 6.26725000\n_cell_angle_alpha 71.30256000\n_cell_angle_beta 78.75560000\n_cell_angle_gamma 59.70862000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.85308928\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12009288 0.66980589 0.71543107 1\n C C1 1 -0.00478476 0.67340976 -0.04345065 1\n C C2 1 -0.01921593 0.15238956 1.02349756 1\n C C3 1 0.71086527 0.62904323 0.61445525 1\n C C4 1 0.62860649 0.48419457 0.06807255 1\n C C5 1 0.92056937 0.52235350 0.41250818 1\n C C6 1 0.51064004 0.48274248 0.31085917 1\n C C7 1 0.63858204 0.00735252 0.99703398 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48132000\n_cell_length_b 3.68882000\n_cell_length_c 4.21805000\n_cell_angle_alpha 75.23179000\n_cell_angle_beta 89.96965000\n_cell_angle_gamma 109.64608000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00175067\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13092770 0.92547600 0.85224460 1\n C C1 1 0.93336972 0.52825489 0.77630555 1\n C C2 1 -0.19164150 0.28525592 0.14912754 1\n C C3 1 0.38641873 0.44146198 0.28033611 1\n C C4 1 0.35486742 0.37091178 0.64565364 1\n C C5 1 0.61151892 0.88709032 0.07405667 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44818000\n_cell_length_b 3.49997000\n_cell_length_c 7.60070000\n_cell_angle_alpha 100.10336000\n_cell_angle_beta 89.97850000\n_cell_angle_gamma 110.51200000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.92003699\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.23031958 0.02985708 -0.01448942 1\n C C1 1 0.35935978 0.21016646 0.36813359 1\n C C2 1 0.13395280 0.75981993 -0.01785069 1\n C C3 1 0.60141377 0.68993960 0.69335116 1\n C C4 1 0.01721447 0.52233763 0.78048956 1\n C C5 1 0.97864998 0.45053035 0.10870694 1\n C C6 1 0.56388618 0.62137863 0.49858385 1\n C C7 1 0.50560318 0.50263643 0.22349514 1\n C C8 1 0.71394027 0.92000952 0.36843743 1\n C C9 1 0.80669765 0.10398766 0.79948865 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48287000\n_cell_length_b 6.63932000\n_cell_length_c 6.19080000\n_cell_angle_alpha 52.59567000\n_cell_angle_beta 101.54808000\n_cell_angle_gamma 89.98810000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.44757319\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.23671773 0.28393153 0.00438982 1\n C C1 1 0.38767437 0.16065472 0.30627207 1\n C C2 1 0.10181565 0.94843622 0.72866244 1\n C C3 1 0.78386999 -0.08110375 0.09671281 1\n C C4 1 -0.05191306 0.76863544 0.42177997 1\n C C5 1 0.67807822 0.45015979 0.88428599 1\n C C6 1 0.07225253 0.20811311 0.67465220 1\n C C7 1 0.77229594 0.54557615 0.06875570 1\n C C8 1 0.36363765 0.42036310 0.25247893 1\n C C9 1 0.95988412 -0.00406295 0.44987930 1\n C C10 1 0.69391679 0.82306202 0.91239375 1\n C C11 1 0.22255416 0.08521926 0.97651741 1\n C C12 1 0.51701397 0.60025437 0.55934975 1\n C C13 1 0.50115324 0.37259527 0.53099777 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51382000\n_cell_length_b 4.18586000\n_cell_length_c 4.18766000\n_cell_angle_alpha 70.20409000\n_cell_angle_beta 107.45301000\n_cell_angle_gamma 72.56610000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.38145872\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02094499 0.51224021 0.70153544 1\n C C1 1 0.53919536 0.79903993 0.02638012 1\n C C2 1 0.17108657 0.55615174 0.04576033 1\n C C3 1 1.17109319 0.16775126 0.65788748 1\n C C4 1 0.53955250 0.18724178 0.41492571 1\n C C5 1 0.68929709 0.84281967 0.37091312 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44630000\n_cell_length_b 4.57338000\n_cell_length_c 7.94179000\n_cell_angle_alpha 53.20506000\n_cell_angle_beta 71.99517000\n_cell_angle_gamma 74.42475000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.26008671\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61412833 0.39816479 0.42758987 1\n C C1 1 0.69490221 0.25740844 0.91474458 1\n C C2 1 0.20337618 0.47347887 0.30053516 1\n C C3 1 1.14073251 0.43350748 0.87974246 1\n C C4 1 0.42117182 0.68166888 0.47822362 1\n C C5 1 0.62076094 -0.01032418 0.62322090 1\n C C6 1 0.83210277 0.79215774 0.51133799 1\n C C7 1 0.29884994 0.69866208 0.09022788 1\n C C8 1 0.83480065 -0.12368103 0.96547200 1\n C C9 1 1.04574905 0.84850722 0.76801495 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51155000\n_cell_length_b 4.49559000\n_cell_length_c 6.53058000\n_cell_angle_alpha 99.22343000\n_cell_angle_beta 90.04252000\n_cell_angle_gamma 90.01989000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.78274258\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27906771 0.49801037 0.38297128 1\n C C1 1 0.27906953 -0.01651172 0.36387743 1\n C C2 1 0.27842829 0.78306131 0.51423591 1\n C C3 1 0.77924985 0.42247527 0.85433191 1\n C C4 1 0.77872773 0.87982643 0.64201431 1\n C C5 1 0.28035262 0.52346560 0.17550370 1\n C C6 1 0.77912872 0.79687809 0.85509746 1\n C C7 1 0.27962588 0.32000439 0.97073085 1\n C C8 1 0.28036751 0.84308056 0.16784624 1\n C C9 1 0.77891909 0.23586902 0.63817204 1\n C C10 1 0.27945900 0.95018671 0.96747228 1\n C C11 1 0.27871898 0.26268456 0.49957609 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48098000\n_cell_length_b 3.68944000\n_cell_length_c 4.84280000\n_cell_angle_alpha 57.37689000\n_cell_angle_beta 75.12389000\n_cell_angle_gamma 70.32501000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99659713\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62217326 0.75592268 0.06916979 1\n C C1 1 0.20070321 0.46836250 0.19998517 1\n C C2 1 0.87828399 0.81193859 0.49777073 1\n C C3 1 0.07714445 0.33898380 0.57292816 1\n C C4 1 0.65534653 0.05121304 0.70405243 1\n C C5 1 0.39780316 -0.00510411 0.27583213 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49038000\n_cell_length_b 3.59347000\n_cell_length_c 4.35256000\n_cell_angle_alpha 84.29120000\n_cell_angle_beta 73.37732000\n_cell_angle_gamma 69.66764000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99817842\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13780646 0.62213270 0.67272699 1\n C C1 1 0.66255943 -0.00841477 0.25451508 1\n C C2 1 0.76886222 0.36220139 0.67256182 1\n C C3 1 -0.04955328 0.62204807 0.04861359 1\n C C4 1 1.05609169 -0.00815913 0.46683956 1\n C C5 1 0.58030159 0.36241473 1.04874885 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44253000\n_cell_length_b 4.16716000\n_cell_length_c 7.06018000\n_cell_angle_alpha 84.62262000\n_cell_angle_beta 69.88776000\n_cell_angle_gamma 90.06172000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.13976741\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41626670 0.91854015 0.16784705 1\n C C1 1 0.78001367 0.60926928 0.80589026 1\n C C2 1 0.18512821 0.54235051 0.90099851 1\n C C3 1 0.36526843 0.56646511 0.21906600 1\n C C4 1 0.57356302 0.27850623 0.50843477 1\n C C5 1 -0.03935539 0.43097215 0.12297203 1\n C C6 1 0.52096298 0.96240365 0.56264820 1\n C C7 1 -0.00938844 0.76618979 0.59259211 1\n C C8 1 0.93310573 0.07586075 0.15137704 1\n C C9 1 0.12516030 0.46772207 0.45697846 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47370000\n_cell_length_b 4.92515000\n_cell_length_c 6.78997000\n_cell_angle_alpha 76.07014000\n_cell_angle_beta 97.04108000\n_cell_angle_gamma 84.71471000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.04845403\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19455945 0.21245615 0.50679394 1\n C C1 1 0.85054386 -0.04608239 0.79770548 1\n C C2 1 0.00477831 0.35758514 0.29131464 1\n C C3 1 0.41035688 0.54296658 0.21776315 1\n C C4 1 0.84310555 0.63919965 0.86806434 1\n C C5 1 0.75331017 1.03281450 0.56078102 1\n C C6 1 1.27354043 0.36631161 0.66714078 1\n C C7 1 0.21832890 0.80817595 0.32152507 1\n C C8 1 0.36294946 0.10466245 0.84759352 1\n C C9 1 0.74481517 0.78823310 0.46420701 1\n C C10 1 0.39207287 0.52596125 0.99207440 1\n C C11 1 0.03313428 0.11369740 0.17571306 1\n C C12 1 0.76168253 0.54020788 0.66316231 1\n C C13 1 0.46438564 0.19308944 1.04345350 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43157000\n_cell_length_b 3.24262000\n_cell_length_c 7.71599000\n_cell_angle_alpha 71.94785000\n_cell_angle_beta 92.51765000\n_cell_angle_gamma 93.05469000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.73691131\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07936186 0.29380700 0.76156858 1\n C C1 1 0.57936186 0.79380700 1.01156858 1\n C C2 1 0.57936186 0.79380700 0.51156858 1\n C C3 1 0.07959626 0.62948788 0.59559860 1\n C C4 1 1.07936186 0.29380700 0.26156858 1\n C C5 1 0.57959626 0.12948788 0.34559860 1\n C C6 1 1.07959626 0.62948788 0.09559860 1\n C C7 1 0.57959626 0.12948788 0.84559860 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48198000\n_cell_length_b 4.84326000\n_cell_length_c 4.21819000\n_cell_angle_alpha 47.41509000\n_cell_angle_beta 89.96476000\n_cell_angle_gamma 75.11181000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99471665\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71577344 0.71702985 0.83963294 1\n C C1 1 0.68376843 0.78643609 0.13530184 1\n C C2 1 0.94099144 0.27121669 0.07879095 1\n C C3 1 0.13730583 0.87377478 0.55206943 1\n C C4 1 0.26204307 0.62980389 0.42285527 1\n C C5 1 0.46028958 0.23212139 0.89607937 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48717000\n_cell_length_b 4.06192000\n_cell_length_c 4.69612000\n_cell_angle_alpha 74.00781000\n_cell_angle_beta 89.95494000\n_cell_angle_gamma 89.97936000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.60731348\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80029781 0.12427133 0.57297576 1\n C C1 1 0.30015943 0.58224713 0.27089962 1\n C C2 1 0.80020489 0.35776431 0.26562920 1\n C C3 1 0.30019043 0.58968508 0.61788071 1\n C C4 1 0.30020599 0.93075898 0.03518476 1\n C C5 1 0.30028669 0.92296818 0.68770433 1\n C C6 1 0.80018512 0.38847852 0.73255916 1\n C C7 1 0.80028153 0.15666207 0.04030415 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.86761000\n_cell_length_b 4.01206000\n_cell_length_c 4.92233000\n_cell_angle_alpha 115.38581000\n_cell_angle_beta 71.09768000\n_cell_angle_gamma 119.10828000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.22110711\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88260381 0.09494718 0.96144282 1\n C C1 1 1.09425001 0.49939874 0.15203037 1\n C C2 1 0.47461250 0.88031940 1.15218758 1\n C C3 1 -0.17783823 0.53394857 0.46232450 1\n C C4 1 0.03380797 -0.06159987 0.65291205 1\n C C5 1 0.44179929 0.15302790 0.46216728 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48737000\n_cell_length_b 3.51718000\n_cell_length_c 4.30529000\n_cell_angle_alpha 65.90830000\n_cell_angle_beta 106.79556000\n_cell_angle_gamma 89.98051000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61439659\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84383024 0.45230103 0.22720521 1\n C C1 1 0.34398085 0.20204410 0.22725948 1\n C C2 1 0.51049619 0.78561005 0.56055280 1\n C C3 1 0.17715147 0.11893115 0.89389108 1\n C C4 1 0.67726708 -0.13130515 0.89391169 1\n C C5 1 0.01061457 0.53536803 0.56058024 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.10756000\n_cell_length_b 4.21946000\n_cell_length_c 6.41545000\n_cell_angle_alpha 70.73951000\n_cell_angle_beta 74.51816000\n_cell_angle_gamma 67.24302000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.28643509\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00947217 0.81343472 0.43476010 1\n C C1 1 0.00867370 1.01343327 1.03505235 1\n C C2 1 0.00737453 0.08031898 0.23476672 1\n C C3 1 1.00739319 0.48042095 0.43463858 1\n C C4 1 1.00669428 0.68037357 0.03495119 1\n C C5 1 0.00762666 0.28031771 0.83460996 1\n C C6 1 1.00682652 0.88042917 0.63493941 1\n C C7 1 1.00881972 0.21346509 0.63501490 1\n C C8 1 0.00946527 0.41325543 0.23484980 1\n C C9 1 1.00979775 0.61326391 -0.16530540 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05028000\n_cell_length_b 2.42953000\n_cell_length_c 5.94731000\n_cell_angle_alpha 101.58224000\n_cell_angle_beta 95.42502000\n_cell_angle_gamma 90.42592000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.96738517\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42773633 0.25087937 0.74218611 1\n C C1 1 -0.01618817 1.02871161 0.29675422 1\n C C2 1 0.76020050 0.91767159 0.07570396 1\n C C3 1 0.31785717 0.69529470 0.62993629 1\n C C4 1 0.65009661 0.36213719 -0.03643524 1\n C C5 1 0.09437677 0.58418994 0.40880135 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48067000\n_cell_length_b 3.68910000\n_cell_length_c 4.89565000\n_cell_angle_alpha 66.84908000\n_cell_angle_beta 59.56030000\n_cell_angle_gamma 70.30971000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97598886\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46706327 0.92065645 0.17396945 1\n C C1 1 0.71820192 0.16586003 0.80035392 1\n C C2 1 0.75835279 0.07780522 0.30452008 1\n C C3 1 0.44450515 0.56350611 0.87584035 1\n C C4 1 0.42794534 0.00956119 0.66924286 1\n C C5 1 0.74202233 0.52362719 0.09783864 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41106000\n_cell_length_b 3.60800000\n_cell_length_c 8.20517000\n_cell_angle_alpha 53.44439000\n_cell_angle_beta 81.34963000\n_cell_angle_gamma 70.00397000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.74542371\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52931616 0.87464551 0.06648306 1\n C C1 1 0.28380098 0.12289029 0.29882174 1\n C C2 1 0.64516009 0.40647285 0.29512452 1\n C C3 1 0.31903247 0.27095068 0.08659817 1\n C C4 1 0.11074487 0.80695125 0.97082693 1\n C C5 1 0.06330269 0.11879929 0.74726687 1\n C C6 1 0.54075947 0.26738661 0.64279600 1\n C C7 1 0.49018857 0.58621322 0.42190501 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48945000\n_cell_length_b 4.94644000\n_cell_length_c 6.34431000\n_cell_angle_alpha 63.94082000\n_cell_angle_beta 101.32036000\n_cell_angle_gamma 90.00995000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.48675429\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33613393 0.29574510 0.10233247 1\n C C1 1 0.52274386 0.41034737 0.47571632 1\n C C2 1 0.44952744 0.96934886 0.32736400 1\n C C3 1 0.40874415 0.73710069 0.24947686 1\n C C4 1 0.65464323 0.30396258 0.74360195 1\n C C5 1 0.70107002 -0.09074763 0.83484123 1\n C C6 1 0.83729930 0.73831385 0.10601330 1\n C C7 1 -0.13547089 0.41874245 0.15864788 1\n C C8 1 0.99417483 0.28722341 0.41958233 1\n C C9 1 1.02149842 0.96784103 0.47124657 1\n C C10 1 1.15370399 0.79560118 0.74173975 1\n C C11 1 0.20056402 0.40245623 0.83369694 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46625000\n_cell_length_b 6.57754000\n_cell_length_c 5.67814000\n_cell_angle_alpha 86.08342000\n_cell_angle_beta 90.00267000\n_cell_angle_gamma 90.00205000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.89486299\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95817229 0.12601562 0.62299492 1\n C C1 1 0.45775809 0.59230949 0.70968728 1\n C C2 1 0.45809327 0.80976523 0.62710776 1\n C C3 1 0.95821680 0.94834695 -0.01403811 1\n C C4 1 -0.04195260 0.55933531 1.14174279 1\n C C5 1 -0.04211299 0.29363985 0.76569251 1\n C C6 1 0.45802063 0.51312843 0.99250529 1\n C C7 1 0.45810779 0.84715883 0.35034921 1\n C C8 1 0.95814155 0.78291520 0.20998263 1\n C C9 1 0.45838233 0.08009115 0.28756445 1\n C C10 1 0.45787498 0.29046732 0.91720874 1\n C C11 1 0.95802533 0.41982741 0.36544815 1\n C C12 1 -0.04188144 0.91531841 0.72071853 1\n C C13 1 0.95836664 0.18547899 0.37601307 1\n C C14 1 -0.04224055 0.48695901 0.61520510 1\n C C15 1 0.45816457 0.07627772 1.03471257 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32224000\n_cell_length_b 4.03635000\n_cell_length_c 8.44242000\n_cell_angle_alpha 91.64544000\n_cell_angle_beta 121.57489000\n_cell_angle_gamma 103.48077000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 92.22668829\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07221711 0.46324004 0.27191990 1\n C C1 1 1.07507764 0.08751535 0.20214431 1\n C C2 1 0.73077012 0.70518853 0.19396736 1\n C C3 1 0.65848738 0.12695891 0.70515330 1\n C C4 1 0.57999361 0.71341622 0.34486973 1\n C C5 1 0.37203327 0.58352954 0.98514925 1\n C C6 1 0.06228688 0.34537484 0.43468972 1\n C C7 1 -0.07258769 0.58393411 0.52741103 1\n C C8 1 0.50564566 0.79181768 0.88575360 1\n C C9 1 0.33296726 0.83087032 0.69581135 1\n C C10 1 1.01554580 0.27591753 0.90163673 1\n C C11 1 -0.07598827 0.05850317 0.00762736 1\n C C12 1 0.57326299 0.07295341 0.37520968 1\n C C13 1 0.55876325 0.27143555 0.53636351 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31802000\n_cell_length_b 3.51640000\n_cell_length_c 3.51888000\n_cell_angle_alpha 120.03737000\n_cell_angle_beta 90.01787000\n_cell_angle_gamma 90.01215000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54255432\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33292644 0.16207944 0.87280532 1\n C C1 1 0.99886596 0.85750827 0.87291694 1\n C C2 1 0.83293834 1.08903549 0.33668212 1\n C C3 1 0.66512210 0.85811431 0.56902653 1\n C C4 1 0.49870122 0.39437235 0.33742790 1\n C C5 1 0.16508964 0.39371575 0.64107438 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48722000\n_cell_length_b 3.51619000\n_cell_length_c 4.97476000\n_cell_angle_alpha 90.00296000\n_cell_angle_beta 89.99882000\n_cell_angle_gamma 90.00510000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.50695284\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17199017 0.26426540 0.03793157 1\n C C1 1 0.17202786 1.01498613 0.78793330 1\n C C2 1 0.67199257 0.76426781 0.28793828 1\n C C3 1 0.67203235 0.76426970 0.78792844 1\n C C4 1 0.67199205 0.51500311 0.03793766 1\n C C5 1 0.17198751 1.01499080 0.28794045 1\n C C6 1 0.17203760 0.26427690 0.53793376 1\n C C7 1 -0.32794919 0.51497785 0.53793955 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49018000\n_cell_length_b 3.59246000\n_cell_length_c 4.35564000\n_cell_angle_alpha 84.29996000\n_cell_angle_beta 73.39539000\n_cell_angle_gamma 69.67858000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01605988\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01930684 0.76129369 0.64313749 1\n C C1 1 0.91241357 0.39162671 0.22505307 1\n C C2 1 0.30589177 0.39173602 0.43727540 1\n C C3 1 0.38813385 0.02160702 0.64333523 1\n C C4 1 -0.16909431 0.76132081 1.01904612 1\n C C5 1 0.20100268 1.02129305 0.01905899 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48502000\n_cell_length_b 4.08562000\n_cell_length_c 4.68192000\n_cell_angle_alpha 96.67128000\n_cell_angle_beta 105.46706000\n_cell_angle_gamma 90.00471000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.47912885\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47563316 -0.09021095 0.53984292 1\n C C1 1 0.70599398 0.19669342 -0.00399771 1\n C C2 1 0.20696124 0.97116968 0.99832447 1\n C C3 1 0.31855766 0.72879350 0.22578013 1\n C C4 1 1.04839047 0.79025892 0.68409745 1\n C C5 1 0.53498594 0.26549061 0.65459623 1\n C C6 1 -0.00879338 0.43451579 0.56817665 1\n C C7 1 0.81964533 0.50330734 0.22776016 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49635000\n_cell_length_b 4.70245000\n_cell_length_c 6.57713000\n_cell_angle_alpha 106.27444000\n_cell_angle_beta 112.28179000\n_cell_angle_gamma 89.99211000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.08963386\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39447756 0.43220789 0.13938369 1\n C C1 1 0.80480781 0.45628227 0.55126300 1\n C C2 1 0.12862268 0.88552425 0.37489016 1\n C C3 1 0.53977892 0.17518065 0.78373519 1\n C C4 1 0.08203048 0.02217427 0.82593314 1\n C C5 1 0.75730954 0.43933239 1.00109691 1\n C C6 1 0.04406717 0.69720702 0.78757302 1\n C C7 1 0.68257079 0.68976553 0.92577585 1\n C C8 1 0.30472442 0.24459436 0.55122735 1\n C C9 1 0.62871899 0.67430209 0.37503161 1\n C C10 1 0.35770000 0.10745260 0.10153282 1\n C C11 1 0.89812804 -0.04560771 0.14285485 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42999000\n_cell_length_b 2.42979000\n_cell_length_c 8.79495000\n_cell_angle_alpha 75.13306000\n_cell_angle_beta 89.80996000\n_cell_angle_gamma 59.98803000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.97318423\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24569782 1.03782831 0.25498288 1\n C C1 1 0.36524528 -0.22743571 0.92251451 1\n C C2 1 0.91255262 0.70440940 0.25498826 1\n C C3 1 0.45655533 0.53822698 0.58882702 1\n C C4 1 0.03184379 0.43916611 -0.07751384 1\n C C5 1 0.79036026 0.87066851 0.58940326 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.30064000\n_cell_length_b 3.65743000\n_cell_length_c 4.56595000\n_cell_angle_alpha 110.96816000\n_cell_angle_beta 118.82938000\n_cell_angle_gamma 79.83694000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.41165705\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07284209 0.08056302 0.68179423 1\n C C1 1 0.85511348 0.29709223 1.03477252 1\n C C2 1 0.69789149 0.44400545 0.75646823 1\n C C3 1 0.46481747 0.66765389 0.78266892 1\n C C4 1 0.72089803 0.41784675 0.24575847 1\n C C5 1 0.28196766 -0.13659797 0.23565681 1\n C C6 1 0.47602853 0.65317882 0.10488752 1\n C C7 1 0.82806356 0.31572257 0.54099494 1\n C C8 1 0.26745797 0.87067727 0.55134326 1\n C C9 1 0.08669994 0.07079406 1.00692600 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47524000\n_cell_length_b 3.72269000\n_cell_length_c 4.24934000\n_cell_angle_alpha 64.00700000\n_cell_angle_beta 90.00222000\n_cell_angle_gamma 90.00772000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.19506132\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82781377 0.13453345 0.64229877 1\n C C1 1 0.32782957 0.15399475 0.41972273 1\n C C2 1 0.32759563 0.74610966 0.41947156 1\n C C3 1 0.82754165 0.54255989 0.64251310 1\n C C4 1 0.32774379 0.58890178 0.14172250 1\n C C5 1 0.82775189 0.69945467 -0.07966546 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.76458000\n_cell_length_b 3.62315000\n_cell_length_c 4.80935000\n_cell_angle_alpha 112.06233000\n_cell_angle_beta 95.31809000\n_cell_angle_gamma 88.01039000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.45320449\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41161150 1.09467813 0.22088371 1\n C C1 1 0.41286097 0.15287987 0.72013299 1\n C C2 1 0.41191409 0.93922546 0.91118419 1\n C C3 1 0.41290785 0.53471838 0.72050589 1\n C C4 1 0.41068624 0.49927669 0.41165361 1\n C C5 1 0.41083225 0.88074407 0.41182261 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48706000\n_cell_length_b 5.84869000\n_cell_length_c 4.06225000\n_cell_angle_alpha 118.23291000\n_cell_angle_beta 90.02128000\n_cell_angle_gamma 115.18926000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.57663052\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.18058310 0.40947707 0.28100611 1\n C C1 1 0.21690515 0.94718068 0.01191764 1\n C C2 1 0.90856173 0.63919797 0.93714373 1\n C C3 1 0.76329243 -0.00777095 0.52274149 1\n C C4 1 -0.16823081 0.06175561 -0.07482577 1\n C C5 1 0.68573810 0.41454208 0.51112898 1\n C C6 1 0.37721317 0.10632686 0.43550046 1\n C C7 1 0.41422233 0.64450669 0.16765385 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.97253000\n_cell_length_b 3.48392000\n_cell_length_c 4.01756000\n_cell_angle_alpha 67.68969000\n_cell_angle_beta 63.62977000\n_cell_angle_gamma 68.22568000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.69356335\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55845096 1.01602188 0.71277377 1\n C C1 1 0.55782022 0.34917019 0.37956406 1\n C C2 1 0.22432460 1.01579226 0.04617346 1\n C C3 1 0.89118914 0.34881138 1.04560951 1\n C C4 1 0.89070636 0.68243495 0.71330133 1\n C C5 1 0.22483992 0.68258944 0.37907496 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.79119000\n_cell_length_b 3.37503000\n_cell_length_c 4.80903000\n_cell_angle_alpha 56.58960000\n_cell_angle_beta 61.62250000\n_cell_angle_gamma 72.93605000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.15039823\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18920627 0.41055711 0.67158861 1\n C C1 1 0.67424100 -0.13920233 0.48299063 1\n C C2 1 0.82102931 0.69029465 0.19565498 1\n C C3 1 0.45741406 0.39857207 0.83092286 1\n C C4 1 -0.00042651 -0.08904055 0.54149793 1\n C C5 1 0.21684563 0.37301535 0.19343225 1\n C C6 1 0.85302552 0.08126987 0.82875119 1\n C C7 1 0.48413502 0.36115691 0.35320365 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45657000\n_cell_length_b 3.66342000\n_cell_length_c 6.39974000\n_cell_angle_alpha 74.74986000\n_cell_angle_beta 90.02591000\n_cell_angle_gamma 70.38928000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.09283582\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66460940 0.79152350 0.77043783 1\n C C1 1 0.28763337 0.54592504 0.85805421 1\n C C2 1 0.03833428 1.04346658 0.43509553 1\n C C3 1 0.66018613 0.79908374 0.52162155 1\n C C4 1 -0.11612114 0.35068385 0.57395748 1\n C C5 1 0.38555519 0.34842953 0.09438410 1\n C C6 1 -0.06148410 0.24399163 0.19941790 1\n C C7 1 0.44064368 0.23946714 0.71952640 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46024000\n_cell_length_b 3.39488000\n_cell_length_c 6.01044000\n_cell_angle_alpha 118.30330000\n_cell_angle_beta 78.21146000\n_cell_angle_gamma 111.20294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17405644\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06544723 0.17478818 0.89291726 1\n C C1 1 0.46865604 0.10680186 1.01994179 1\n C C2 1 0.92983625 0.42270408 0.42246501 1\n C C3 1 0.44215850 0.32019446 0.29563896 1\n C C4 1 0.29528298 0.56505932 0.82501541 1\n C C5 1 0.89289639 0.63358330 0.69827208 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60928000\n_cell_length_b 4.12450000\n_cell_length_c 4.94471000\n_cell_angle_alpha 90.00214000\n_cell_angle_beta 89.98082000\n_cell_angle_gamma 111.29944000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.57999225\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19307758 0.57275118 0.27053827 1\n C C1 1 0.55171642 0.33141354 0.77053576 1\n C C2 1 0.55181420 0.33140184 0.27053681 1\n C C3 1 0.30057530 0.77993297 0.02053475 1\n C C4 1 0.44361214 0.12412511 1.02055169 1\n C C5 1 0.44355124 0.12410223 0.52054873 1\n C C6 1 0.30089302 0.77993372 0.52053009 1\n C C7 1 0.19294600 0.57274600 0.77054860 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48807000\n_cell_length_b 3.51573000\n_cell_length_c 4.30401000\n_cell_angle_alpha 114.09523000\n_cell_angle_beta 106.78513000\n_cell_angle_gamma 90.00130000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60325146\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10987170 -0.01869414 0.79654140 1\n C C1 1 0.77653837 0.64797253 1.12987473 1\n C C2 1 0.60986656 0.73178910 0.79675337 1\n C C3 1 0.44320504 0.31463920 0.46320806 1\n C C4 1 -0.05680010 0.06512244 0.46342004 1\n C C5 1 0.27653323 0.39845577 0.13008670 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48703000\n_cell_length_b 4.06029000\n_cell_length_c 4.69600000\n_cell_angle_alpha 106.01395000\n_cell_angle_beta 90.05140000\n_cell_angle_gamma 89.98455000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.58031201\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02607363 0.76932689 0.26669436 1\n C C1 1 0.02675881 0.73609123 0.73300801 1\n C C2 1 0.02602166 0.00149034 0.57411208 1\n C C3 1 1.02698012 0.97021651 1.04124805 1\n C C4 1 0.52652041 0.53479556 0.61823202 1\n C C5 1 0.52635244 0.20271432 0.68883820 1\n C C6 1 0.52625166 0.54333107 0.27117298 1\n C C7 1 0.52674279 0.19487938 1.03574161 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48598000\n_cell_length_b 4.00358000\n_cell_length_c 7.32407000\n_cell_angle_alpha 57.09790000\n_cell_angle_beta 99.79607000\n_cell_angle_gamma 90.01439000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.93498273\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97837285 0.78049076 0.93816431 1\n C C1 1 0.20564892 0.63757389 0.39132724 1\n C C2 1 0.53214777 0.17513079 0.04381695 1\n C C3 1 0.29548308 0.16317857 0.56913766 1\n C C4 1 0.63781434 0.77383366 0.25690647 1\n C C5 1 0.29609162 0.75642165 0.57024541 1\n C C6 1 0.86135401 0.14034020 0.69943289 1\n C C7 1 0.53075647 0.80819079 1.04121837 1\n C C8 1 0.86206512 0.52086636 0.70052687 1\n C C9 1 -0.02059258 0.40794803 0.93978094 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26513000\n_cell_length_b 3.27959000\n_cell_length_c 3.63442000\n_cell_angle_alpha 75.41203000\n_cell_angle_beta 104.51619000\n_cell_angle_gamma 99.18990000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.26717778\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30822686 0.49452078 0.24570021 1\n C C1 1 0.99207283 0.17620810 0.24530317 1\n C C2 1 0.93734674 -0.09019409 0.62706517 1\n C C3 1 0.57679181 0.54839228 0.62774976 1\n C C4 1 0.36320536 0.76234643 0.86371032 1\n C C5 1 0.72458120 0.12277870 0.86330217 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63791000\n_cell_length_b 5.03155000\n_cell_length_c 4.02861000\n_cell_angle_alpha 63.18837000\n_cell_angle_beta 62.90732000\n_cell_angle_gamma 43.35702000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.19512435\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45816761 0.60354433 0.35300752 1\n C C1 1 0.39826042 0.10326693 -0.14620422 1\n C C2 1 0.01774827 0.10305673 0.85365910 1\n C C3 1 0.61201177 0.29555524 0.66196884 1\n C C4 1 0.67159987 0.79605714 0.16122947 1\n C C5 1 0.05197196 0.79624365 1.16169639 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47160000\n_cell_length_b 4.79808000\n_cell_length_c 4.18492000\n_cell_angle_alpha 115.61424000\n_cell_angle_beta 90.63353000\n_cell_angle_gamma 89.96607000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.74821970\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11493124 0.14876201 0.80610593 1\n C C1 1 0.11368158 0.81637018 0.50960832 1\n C C2 1 0.11339213 0.14922478 0.17554977 1\n C C3 1 0.61501018 0.30461937 0.75365244 1\n C C4 1 0.61576051 0.30507494 0.38381547 1\n C C5 1 1.11525135 0.81593718 0.14024621 1\n C C6 1 0.61385502 0.66035925 0.93204570 1\n C C7 1 0.61458010 0.66081310 0.56222526 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43732000\n_cell_length_b 4.19969000\n_cell_length_c 9.78521000\n_cell_angle_alpha 95.41009000\n_cell_angle_beta 119.92744000\n_cell_angle_gamma 90.00448000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.28994070\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.18620130 -0.12269097 0.19024835 1\n C C1 1 0.47245249 0.91040279 0.01773307 1\n C C2 1 0.83753359 0.20117385 0.69696063 1\n C C3 1 0.35776303 0.36022180 0.70657982 1\n C C4 1 0.92556081 0.41222686 0.99269103 1\n C C5 1 0.45378866 0.71005910 0.75662212 1\n C C6 1 0.81279478 0.84806490 0.68660570 1\n C C7 1 0.79628510 -0.19591644 0.43069563 1\n C C8 1 0.46975676 -0.14623670 0.26830837 1\n C C9 1 0.82602908 0.74388489 0.94422588 1\n C C10 1 0.45699848 0.79397633 0.51058690 1\n C C11 1 0.45492111 1.25930898 1.00718921 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46101000\n_cell_length_b 6.88691000\n_cell_length_c 8.76072000\n_cell_angle_alpha 79.57323000\n_cell_angle_beta 85.68231000\n_cell_angle_gamma 74.57457000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 140.71323452\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.14413388 0.85987625 0.26367924 1\n C C1 1 0.33157796 0.84828712 0.34553311 1\n C C2 1 -0.43395604 0.50974728 0.35727722 1\n C C3 1 0.88499532 0.64416459 0.56195531 1\n C C4 1 0.30558613 0.28666160 0.04381595 1\n C C5 1 0.94816466 0.83018026 0.09814934 1\n C C6 1 0.71586371 0.58625966 0.86397334 1\n C C7 1 0.98986548 0.93431859 0.77459913 1\n C C8 1 0.22222237 0.51470048 0.95909004 1\n C C9 1 0.46414091 0.09523727 0.54833285 1\n C C10 1 0.90034434 0.17499865 0.30665587 1\n C C11 1 1.42725556 -0.09475473 1.00741761 1\n C C12 1 0.02648952 0.52741166 0.42996264 1\n C C13 1 0.31122796 0.13234402 0.93813043 1\n C C14 1 0.54362711 -0.17495282 0.84815575 1\n C C15 1 0.63852938 0.50462133 0.18928086 1\n C C16 1 -0.05593564 0.47993931 0.71063624 1\n C C17 1 0.10171363 0.60035796 0.10944894 1\n C C18 1 0.79506429 0.15114270 0.83183106 1\n C C19 1 0.39538836 0.16543837 0.38878468 1\n C C20 1 0.04185861 -0.02071039 0.60334569 1\n C C21 1 0.56184131 0.34420776 0.71390274 1\n C C22 1 0.28664900 0.78279397 0.52662475 1\n C C23 1 0.80209215 0.28734910 0.14604053 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52260000\n_cell_length_b 4.45560000\n_cell_length_c 4.81189000\n_cell_angle_alpha 105.74182000\n_cell_angle_beta 116.94121000\n_cell_angle_gamma 82.37340000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.40316966\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79843289 0.48241956 0.90041573 1\n C C1 1 0.45998221 0.60305874 1.10074713 1\n C C2 1 0.64866400 0.17440153 0.38889085 1\n C C3 1 0.54191497 0.94372443 0.13238984 1\n C C4 1 0.72785238 0.51526925 0.41931817 1\n C C5 1 0.38863866 0.63607280 0.61910866 1\n C C6 1 0.39594611 -0.02435433 0.79908845 1\n C C7 1 0.79367109 0.14300032 0.72221287 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50068000\n_cell_length_b 4.82689000\n_cell_length_c 8.24552000\n_cell_angle_alpha 81.00006000\n_cell_angle_beta 98.37091000\n_cell_angle_gamma 91.50671000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 97.25436873\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27913525 -0.06713749 0.16345443 1\n C C1 1 0.46036183 0.74653155 0.59027844 1\n C C2 1 -0.17403580 0.83938031 0.26477000 1\n C C3 1 0.87264245 0.55182938 0.36583671 1\n C C4 1 0.88820263 0.04828282 0.37992308 1\n C C5 1 0.22496523 0.89110516 -0.00817585 1\n C C6 1 0.47726232 0.23832453 0.58807571 1\n C C7 1 0.44330985 1.02035141 0.48510115 1\n C C8 1 0.22708853 0.38184679 0.97374216 1\n C C9 1 0.43902211 0.79593156 0.75031307 1\n C C10 1 0.42837865 0.51820242 0.48889097 1\n C C11 1 0.28381878 0.27092839 0.15635445 1\n C C12 1 0.83267948 0.31723512 0.26019813 1\n C C13 1 0.54121042 0.11038487 0.76002633 1\n C C14 1 1.14098522 0.15135574 0.87409859 1\n C C15 1 0.30294596 0.66410242 0.90929971 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42690000\n_cell_length_b 5.78808000\n_cell_length_c 10.19938000\n_cell_angle_alpha 80.60983000\n_cell_angle_beta 90.26617000\n_cell_angle_gamma 66.02165000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 128.75235543\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82874049 0.49253952 0.26334465 1\n C C1 1 0.46461337 0.85989817 0.47398912 1\n C C2 1 0.55634216 0.26334205 0.00849209 1\n C C3 1 0.61260109 0.21136745 0.74954562 1\n C C4 1 1.04589337 0.77898034 0.08345964 1\n C C5 1 -0.00803284 0.83206261 0.93324840 1\n C C6 1 0.08713607 0.73547282 0.68180650 1\n C C7 1 1.08023616 0.24449268 0.68018038 1\n C C8 1 0.78969613 1.03570799 0.12350975 1\n C C9 1 0.70713123 1.11619439 0.89229451 1\n C C10 1 0.71449609 0.60741496 0.12167201 1\n C C11 1 0.82129193 0.00646851 0.26778326 1\n C C12 1 0.01119840 0.81223787 0.54211336 1\n C C13 1 0.46524840 0.35768180 0.47072432 1\n C C14 1 -0.37846899 0.69965648 0.74994432 1\n C C15 1 0.37710798 0.44295154 0.33066402 1\n C C16 1 0.37394756 -0.04849324 0.33533202 1\n C C17 1 0.87967004 0.44062853 0.00756090 1\n C C18 1 0.63375270 0.68717256 0.89472730 1\n C C19 1 0.00765828 0.31536987 0.53918232 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60572000\n_cell_length_b 3.64799000\n_cell_length_c 5.50413000\n_cell_angle_alpha 109.62562000\n_cell_angle_beta 118.57412000\n_cell_angle_gamma 89.48129000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.54542534\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61161941 0.21546300 0.85570372 1\n C C1 1 0.30017384 0.06041391 0.54499770 1\n C C2 1 0.10974802 0.65697660 0.35424668 1\n C C3 1 1.10976711 0.27235754 0.35429515 1\n C C4 1 -0.19758128 0.61888701 1.04652828 1\n C C5 1 0.80237260 1.00351253 0.04648388 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52676000\n_cell_length_b 4.29663000\n_cell_length_c 5.07613000\n_cell_angle_alpha 120.33645000\n_cell_angle_beta 96.71766000\n_cell_angle_gamma 94.98935000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.54607438\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31921787 0.95660211 0.74242301 1\n C C1 1 0.26271310 0.08605780 0.06436773 1\n C C2 1 0.88658787 0.45765541 0.73300542 1\n C C3 1 0.06814089 0.75961945 0.09140558 1\n C C4 1 0.35296583 0.55376363 0.61338369 1\n C C5 1 0.78568316 1.05263648 0.62292064 1\n C C6 1 0.60502033 0.75084892 0.26445031 1\n C C7 1 0.41016594 0.42436610 0.29145773 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23361000\n_cell_length_b 4.17464000\n_cell_length_c 5.12419000\n_cell_angle_alpha 79.67195000\n_cell_angle_beta 114.44897000\n_cell_angle_gamma 120.55907000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.93610875\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44664953 0.92219897 0.44817573 1\n C C1 1 0.83426557 0.01617157 0.17156513 1\n C C2 1 0.76772608 0.92236110 0.44814435 1\n C C3 1 0.78455385 0.34725078 0.06216869 1\n C C4 1 -0.01652991 0.77906677 0.66414327 1\n C C5 1 0.43345725 0.68337563 -0.02650522 1\n C C6 1 0.06730112 0.68351196 -0.02657733 1\n C C7 1 0.30349296 0.77897876 0.66410800 1\n C C8 1 0.19749785 0.01606616 0.17170291 1\n C C9 1 0.46899750 0.34737869 0.06241996 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52387000\n_cell_length_b 4.30628000\n_cell_length_c 4.82100000\n_cell_angle_alpha 104.57440000\n_cell_angle_beta 113.60386000\n_cell_angle_gamma 85.36837000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.45642672\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68990248 0.50647256 0.36014176 1\n C C1 1 0.49735703 0.60774543 0.86677114 1\n C C2 1 0.52484492 0.32669029 1.02071424 1\n C C3 1 0.94268009 0.12671008 0.89962117 1\n C C4 1 0.46739140 0.83956113 0.32829106 1\n C C5 1 1.07864001 0.80806160 -0.01279148 1\n C C6 1 0.33192085 0.42954799 0.52720828 1\n C C7 1 0.55069431 0.09637171 0.55879482 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48362000\n_cell_length_b 4.67624000\n_cell_length_c 8.17586000\n_cell_angle_alpha 84.42447000\n_cell_angle_beta 89.99091000\n_cell_angle_gamma 74.56936000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.06595534\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79672305 0.77971829 0.18444463 1\n C C1 1 0.79880743 0.77103459 0.69550654 1\n C C2 1 0.29894070 0.77299357 0.80253334 1\n C C3 1 0.45821998 0.45840496 0.88933516 1\n C C4 1 0.51368810 0.34832644 0.06814728 1\n C C5 1 1.18796349 0.00376502 0.91874638 1\n C C6 1 0.30667960 0.75117768 0.45560518 1\n C C7 1 0.25539205 0.86104237 0.27687144 1\n C C8 1 1.03206471 0.31206739 0.82592978 1\n C C9 1 0.97141679 0.42971136 0.16104455 1\n C C10 1 0.68752059 0.00470197 0.02862821 1\n C C11 1 0.08217344 0.20442506 0.31638123 1\n C C12 1 0.46526484 0.43657750 0.54203081 1\n C C13 1 0.96506523 0.43860062 0.64892660 1\n C C14 1 0.73327224 0.89741971 0.51868614 1\n C C15 1 0.58060346 0.20527667 0.42603422 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43148000\n_cell_length_b 4.20467000\n_cell_length_c 6.35952000\n_cell_angle_alpha 106.07699000\n_cell_angle_beta 111.95028000\n_cell_angle_gamma 90.06345000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.54471810\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70776528 0.23853602 0.08741727 1\n C C1 1 0.70622524 0.90506104 0.08616478 1\n C C2 1 0.78345806 0.90211460 0.58821302 1\n C C3 1 0.28501859 0.73559766 0.58952458 1\n C C4 1 0.20618365 0.40507475 0.08611337 1\n C C5 1 0.20774952 0.73853186 0.08738350 1\n C C6 1 0.78504062 0.23558706 0.58950913 1\n C C7 1 0.28344524 0.40212621 0.58822555 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43761000\n_cell_length_b 2.44570000\n_cell_length_c 9.89291000\n_cell_angle_alpha 89.92585000\n_cell_angle_beta 89.98167000\n_cell_angle_gamma 90.18420000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.97783603\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69165374 0.61929408 0.64401919 1\n C C1 1 0.19146868 0.61975416 0.72661663 1\n C C2 1 0.69106545 0.62039426 0.13826519 1\n C C3 1 0.19122615 1.11941090 0.82593346 1\n C C4 1 0.69111782 1.12009078 0.90880812 1\n C C5 1 0.19084873 0.61999370 0.23335077 1\n C C6 1 0.19084787 0.11961216 0.32126689 1\n C C7 1 0.69123561 0.12090130 0.05440612 1\n C C8 1 0.69124955 0.61869686 0.49900954 1\n C C9 1 0.69088350 0.11922040 0.41552698 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.30766000\n_cell_length_b 4.29019000\n_cell_length_c 6.08174000\n_cell_angle_alpha 61.70426000\n_cell_angle_beta 72.42886000\n_cell_angle_gamma 62.85855000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.53954869\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01875769 0.71577642 0.54293158 1\n C C1 1 0.60868135 0.41124883 0.38198978 1\n C C2 1 0.59911353 0.47196068 0.85482490 1\n C C3 1 0.24198777 1.12329898 0.20943349 1\n C C4 1 0.86857093 0.83355544 1.03961252 1\n C C5 1 0.09642574 0.00498394 0.83764877 1\n C C6 1 0.65764542 0.02874756 0.54767956 1\n C C7 1 -0.07243068 0.38950774 0.72983648 1\n C C8 1 0.28446792 0.73969883 0.37809499 1\n C C9 1 0.43050552 0.85643646 0.74911467 1\n C C10 1 -0.08261612 0.45129014 1.20562908 1\n C C11 1 0.54528680 0.14696419 0.04407108 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44242000\n_cell_length_b 4.80588000\n_cell_length_c 6.01166000\n_cell_angle_alpha 114.16496000\n_cell_angle_beta 65.99870000\n_cell_angle_gamma 104.74198000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.48615785\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67303731 1.06402863 0.90585669 1\n C C1 1 0.42324216 0.13948943 0.19344083 1\n C C2 1 0.58676076 0.20656191 0.56304066 1\n C C3 1 1.33621381 0.56313109 0.99184622 1\n C C4 1 0.32146987 0.21489924 0.83216441 1\n C C5 1 0.77393998 0.51537069 0.53115230 1\n C C6 1 0.61126427 0.72700579 0.79986822 1\n C C7 1 0.70475627 0.65876253 0.17059800 1\n C C8 1 0.76461020 0.00786384 0.28598775 1\n C C9 1 0.43503468 0.48671445 0.35611073 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46438000\n_cell_length_b 4.25894000\n_cell_length_c 7.66500000\n_cell_angle_alpha 56.25813000\n_cell_angle_beta 80.62833000\n_cell_angle_gamma 89.97430000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.60612990\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81377748 0.65065906 0.71440009 1\n C C1 1 0.06114348 -0.05352791 0.47464319 1\n C C2 1 0.74945665 1.11996701 0.13832102 1\n C C3 1 0.64233662 0.45257697 0.47965454 1\n C C4 1 0.65954092 0.28309508 0.71867327 1\n C C5 1 0.61925992 0.87276034 0.38548380 1\n C C6 1 0.10444611 0.03812363 0.82691867 1\n C C7 1 0.85731632 0.85449199 0.06666778 1\n C C8 1 0.25868818 0.67910588 0.82263572 1\n C C9 1 0.27630555 0.37041188 0.06180355 1\n C C10 1 0.16949311 0.35507117 0.40308044 1\n C C11 1 0.29928835 0.60223191 0.15589412 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42552000\n_cell_length_b 4.21304000\n_cell_length_c 4.21766000\n_cell_angle_alpha 90.03006000\n_cell_angle_beta 89.99485000\n_cell_angle_gamma 89.99715000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.09947175\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02791243 0.58683937 0.30768016 1\n C C1 1 0.52800883 0.43141075 0.27713588 1\n C C2 1 1.02816763 0.93488674 0.36771144 1\n C C3 1 0.52822294 0.02142192 0.87121195 1\n C C4 1 0.02822054 0.99378064 0.71570217 1\n C C5 1 0.52816844 0.08278828 0.21895791 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.69391000\n_cell_length_b 4.25754000\n_cell_length_c 4.82017000\n_cell_angle_alpha 74.77238000\n_cell_angle_beta 48.21075000\n_cell_angle_gamma 53.60131000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.36706723\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16202245 0.40533739 0.11638548 1\n C C1 1 1.10572229 0.46295684 0.61571421 1\n C C2 1 0.94842094 0.61931883 0.92475356 1\n C C3 1 0.54449164 0.02404061 0.11559485 1\n C C4 1 -0.10791156 0.67690571 0.42410162 1\n C C5 1 0.50964074 0.05821292 0.42489999 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48511000\n_cell_length_b 4.78216000\n_cell_length_c 4.67690000\n_cell_angle_alpha 76.23572000\n_cell_angle_beta 74.57460000\n_cell_angle_gamma 58.66919000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.42989303\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12879336 0.39373504 0.02737083 1\n C C1 1 0.21084198 0.92558894 0.79901870 1\n C C2 1 0.93838801 0.69970298 0.79653105 1\n C C3 1 0.87807898 -0.01232654 0.34030696 1\n C C4 1 0.17662181 0.63212226 0.45455397 1\n C C5 1 0.18759872 0.10619355 0.48419657 1\n C C6 1 -0.11091173 0.46224111 0.36856588 1\n C C7 1 -0.14413402 0.16803886 0.02549803 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50370000\n_cell_length_b 5.59322000\n_cell_length_c 8.68126000\n_cell_angle_alpha 115.45721000\n_cell_angle_beta 121.29988000\n_cell_angle_gamma 77.63793000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.78436550\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52953028 1.09028945 0.87861979 1\n C C1 1 0.81947740 0.10112693 0.76214616 1\n C C2 1 0.52982686 0.82883595 0.25092957 1\n C C3 1 0.72688160 0.80059022 0.88422482 1\n C C4 1 0.53736374 0.57274507 0.08922815 1\n C C5 1 0.64645981 0.32221119 0.07649772 1\n C C6 1 0.57055297 0.86160206 0.55748204 1\n C C7 1 -0.25524771 0.60601644 0.57079171 1\n C C8 1 0.55300678 0.29708106 0.65761753 1\n C C9 1 -0.12637150 0.25345213 0.25822342 1\n C C10 1 0.85346433 0.94872858 0.19381530 1\n C C11 1 0.87479228 0.90963179 0.46317782 1\n C C12 1 0.44312685 0.76534685 0.98763077 1\n C C13 1 0.46500849 0.58829799 0.68459128 1\n C C14 1 0.55859126 0.34319276 0.38968273 1\n C C15 1 0.87253267 0.20279823 0.53148931 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.38573000\n_cell_length_b 4.58975000\n_cell_length_c 4.82564000\n_cell_angle_alpha 104.99508000\n_cell_angle_beta 88.82822000\n_cell_angle_gamma 92.06304000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.76248772\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79205046 0.22651675 0.93346535 1\n C C1 1 0.40618957 0.85804780 0.96697969 1\n C C2 1 0.90306491 0.73031985 0.19856603 1\n C C3 1 0.77715289 0.93919841 0.45880925 1\n C C4 1 0.93146320 0.39556742 0.19494997 1\n C C5 1 0.72791705 0.72670118 0.90852799 1\n C C6 1 0.26381104 0.77009157 0.21268620 1\n C C7 1 0.88855178 0.29412827 0.47083034 1\n C C8 1 0.44327577 0.19755417 0.99438570 1\n C C9 1 0.70786027 0.40833018 0.72948178 1\n C C10 1 0.23041749 0.77497244 0.69472572 1\n C C11 1 0.41692912 0.93615171 0.49603701 1\n C C12 1 0.39894735 0.25917171 0.68609226 1\n C C13 1 0.27799556 0.42760241 0.22218780 1\n C C14 1 -0.09680980 -0.08172056 0.74799805 1\n C C15 1 0.20842524 0.43128831 0.54732726 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45366000\n_cell_length_b 5.46522000\n_cell_length_c 6.97493000\n_cell_angle_alpha 107.92772000\n_cell_angle_beta 102.66258000\n_cell_angle_gamma 95.78823000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.38714350\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66115568 0.38777830 0.06865158 1\n C C1 1 0.13103260 0.76683439 0.02368087 1\n C C2 1 0.62644077 0.38952510 0.53635085 1\n C C3 1 0.16054898 0.50970755 0.05557798 1\n C C4 1 0.91787708 0.89949395 0.63676773 1\n C C5 1 0.58142699 0.84641843 -0.06877086 1\n C C6 1 0.42120190 0.80115656 0.70344542 1\n C C7 1 0.69427136 0.13113958 0.10126093 1\n C C8 1 0.20591619 0.51401181 0.59037589 1\n C C9 1 0.24473046 0.05305965 0.19457837 1\n C C10 1 0.40847611 0.10205979 0.42325713 1\n C C11 1 0.91325217 1.00584148 0.49092571 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23673000\n_cell_length_b 3.67418000\n_cell_length_c 4.83234000\n_cell_angle_alpha 68.15300000\n_cell_angle_beta 87.34933000\n_cell_angle_gamma 86.72820000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.68104364\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82430127 0.87660225 0.41384610 1\n C C1 1 0.75776549 0.52859149 0.11690547 1\n C C2 1 0.17561271 0.80529683 0.39477745 1\n C C3 1 0.68809274 -0.06918343 0.10833139 1\n C C4 1 0.33759245 1.00391316 0.13175874 1\n C C5 1 0.17968364 0.28106737 0.88858103 1\n C C6 1 0.33323568 0.52755512 0.63782610 1\n C C7 1 0.75421721 0.28041321 0.40301173 1\n C C8 1 0.82876725 0.31494121 -0.09059938 1\n C C9 1 0.68371516 0.49177879 0.61199696 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.08974000\n_cell_length_b 4.63856000\n_cell_length_c 4.20792000\n_cell_angle_alpha 99.60902000\n_cell_angle_beta 115.65490000\n_cell_angle_gamma 117.72343000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.68811587\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65456958 0.69310859 0.45036536 1\n C C1 1 -0.00818448 0.02595975 0.78482027 1\n C C2 1 0.98790291 1.02644192 0.11703203 1\n C C3 1 0.32514886 0.35929308 0.45148694 1\n C C4 1 0.32123624 0.35977525 0.78369869 1\n C C5 1 0.65848219 0.69262641 0.11815361 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47243000\n_cell_length_b 3.23222000\n_cell_length_c 5.73970000\n_cell_angle_alpha 79.29993000\n_cell_angle_beta 64.48357000\n_cell_angle_gamma 67.47880000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.22593519\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83930533 0.23232276 0.84832583 1\n C C1 1 0.14924714 0.86410712 0.22097670 1\n C C2 1 0.18573023 0.23383330 0.00112585 1\n C C3 1 0.10301338 0.21814246 0.59198580 1\n C C4 1 0.75563701 0.21712814 0.43953151 1\n C C5 1 0.78921151 0.58746963 0.21949540 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29504000\n_cell_length_b 4.82398000\n_cell_length_c 3.30604000\n_cell_angle_alpha 102.40948000\n_cell_angle_beta 100.26649000\n_cell_angle_gamma 77.60558000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.64326457\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.15191182 0.16629775 0.20069735 1\n C C1 1 0.78811473 0.16642916 0.83715094 1\n C C2 1 0.01533676 0.70711007 0.29884092 1\n C C3 1 0.10382771 -0.00751626 0.52134468 1\n C C4 1 0.57292353 0.45107512 0.74117563 1\n C C5 1 0.24476430 0.45120969 0.41485213 1\n C C6 1 0.46738091 0.99247934 -0.11548153 1\n C C7 1 0.68711984 0.70710203 0.97292768 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.01659000\n_cell_length_b 3.63691000\n_cell_length_c 4.81759000\n_cell_angle_alpha 109.38499000\n_cell_angle_beta 87.05035000\n_cell_angle_gamma 65.41607000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.21764147\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51278291 0.97744216 0.74505166 1\n C C1 1 0.45371513 0.04082635 0.24628220 1\n C C2 1 0.86307435 0.63463851 1.05327967 1\n C C3 1 0.30162894 0.19120113 0.55317657 1\n C C4 1 0.24301347 0.25480244 1.05442122 1\n C C5 1 0.89416680 0.59822321 0.74640427 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44648000\n_cell_length_b 4.16563000\n_cell_length_c 8.94894000\n_cell_angle_alpha 70.90485000\n_cell_angle_beta 97.83181000\n_cell_angle_gamma 90.00857000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.28161901\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37418011 -0.11709699 0.21075530 1\n C C1 1 0.14678718 0.04027969 0.75154510 1\n C C2 1 0.52369083 0.37059613 0.50385910 1\n C C3 1 0.12484211 0.73364521 0.70555977 1\n C C4 1 -0.01726018 0.47741918 0.42719395 1\n C C5 1 0.76558258 0.67863654 0.98460858 1\n C C6 1 0.61324355 0.24143078 0.68265481 1\n C C7 1 0.24394568 0.88690669 0.94290672 1\n C C8 1 0.29497532 0.13682196 1.04627478 1\n C C9 1 0.90841221 0.74868569 0.27877840 1\n C C10 1 0.62144058 0.58082160 0.70042550 1\n C C11 1 0.78387984 0.34242032 0.02241567 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47540000\n_cell_length_b 4.24737000\n_cell_length_c 4.24926000\n_cell_angle_alpha 51.94310000\n_cell_angle_beta 89.99121000\n_cell_angle_gamma 90.00355000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17819955\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08145231 0.27271836 0.89336378 1\n C C1 1 0.58107509 0.72735768 0.93945395 1\n C C2 1 0.08150734 0.11574583 0.32822742 1\n C C3 1 0.08117591 0.70758743 0.73649844 1\n C C4 1 0.58158833 0.31931718 0.34756843 1\n C C5 1 0.58146832 0.16232532 0.78244709 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36019000\n_cell_length_b 3.75443000\n_cell_length_c 7.03606000\n_cell_angle_alpha 77.50343000\n_cell_angle_beta 71.42278000\n_cell_angle_gamma 73.76693000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.99019447\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55782862 0.31778786 0.66273694 1\n C C1 1 0.14652156 0.91195613 0.12073166 1\n C C2 1 0.60678222 0.68798707 0.04450127 1\n C C3 1 0.27149825 0.08007880 0.42636692 1\n C C4 1 0.17608116 0.22491140 0.21715963 1\n C C5 1 0.96814248 0.80288226 0.84716266 1\n C C6 1 -0.00613248 0.11749747 0.94432769 1\n C C7 1 0.30915025 0.40991675 0.50362492 1\n C C8 1 -0.12886413 0.94333547 0.63914924 1\n C C9 1 0.53485225 0.34182201 0.01949148 1\n C C10 1 0.58509567 0.70435487 0.40286247 1\n C C11 1 0.83363830 0.61263627 0.56253960 1\n C C12 1 0.86437859 0.62402349 0.20374246 1\n C C13 1 0.27762223 0.40396975 0.86131896 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.96021000\n_cell_length_b 3.86553000\n_cell_length_c 4.96737000\n_cell_angle_alpha 89.30902000\n_cell_angle_beta 108.34388000\n_cell_angle_gamma 111.03729000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.92856358\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23990128 0.70123127 0.89981078 1\n C C1 1 0.20587795 0.74457487 0.39967720 1\n C C2 1 0.52979428 0.38750225 0.24093438 1\n C C3 1 0.68995490 0.91418857 1.01481981 1\n C C4 1 -0.11960090 0.06401393 0.56082073 1\n C C5 1 0.20892091 0.46322598 0.64496515 1\n C C6 1 0.72417766 0.29341651 1.02971530 1\n C C7 1 -0.11610622 -0.18035435 0.80345852 1\n C C8 1 0.57808081 0.41038074 0.72884212 1\n C C9 1 0.17433402 0.50671294 0.14456900 1\n C C10 1 0.83601027 0.79706523 0.31556961 1\n C C11 1 0.53339924 0.14342296 0.48344828 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46413000\n_cell_length_b 4.25864000\n_cell_length_c 6.37306000\n_cell_angle_alpha 89.97187000\n_cell_angle_beta 78.75821000\n_cell_angle_gamma 90.00011000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.59470919\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66366889 0.05801446 0.38385292 1\n C C1 1 0.35007988 0.22165384 0.04731533 1\n C C2 1 0.89820374 0.72167507 0.06517798 1\n C C3 1 0.24577695 0.54719270 0.38874966 1\n C C4 1 0.26364287 0.47646200 0.62801495 1\n C C5 1 -0.22733565 0.72127891 0.31201161 1\n C C6 1 0.70670289 0.61292192 0.73614996 1\n C C7 1 0.86219991 0.97662142 0.73153355 1\n C C8 1 0.45576209 0.55858507 0.97626736 1\n C C9 1 0.41838357 1.11288064 0.62305547 1\n C C10 1 0.22001714 0.22130138 0.29483377 1\n C C11 1 0.87583541 0.04771859 -0.02917487 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43024000\n_cell_length_b 5.81085000\n_cell_length_c 7.92042000\n_cell_angle_alpha 126.88660000\n_cell_angle_beta 90.24189000\n_cell_angle_gamma 77.61104000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.25963493\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13045247 0.73950687 1.01740608 1\n C C1 1 0.39750854 1.07148786 0.84844975 1\n C C2 1 0.73146961 0.40326808 0.18215944 1\n C C3 1 0.68666696 0.62874031 0.90616985 1\n C C4 1 0.35321321 0.29543986 0.57272512 1\n C C5 1 0.62058590 0.62643756 0.40410194 1\n C C6 1 0.95338000 0.96139551 0.73704269 1\n C C7 1 0.28706332 0.29382612 1.07052074 1\n C C8 1 -0.20233078 0.40486136 0.68426354 1\n C C9 1 1.01942376 -0.03624740 0.23924491 1\n C C10 1 1.06442887 0.73697748 0.51527989 1\n C C11 1 0.46367255 0.07356269 0.35064867 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45265000\n_cell_length_b 5.91394000\n_cell_length_c 4.55536000\n_cell_angle_alpha 43.37443000\n_cell_angle_beta 105.48205000\n_cell_angle_gamma 101.91702000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.72334763\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67318725 0.08164458 0.11022570 1\n C C1 1 0.24365494 0.13662281 0.19840928 1\n C C2 1 -0.02184384 0.76698011 1.03771246 1\n C C3 1 -0.06234198 0.45100272 0.27065599 1\n C C4 1 0.40723669 0.26080398 0.40145853 1\n C C5 1 0.50883644 0.95707580 0.90742414 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44118000\n_cell_length_b 4.18790000\n_cell_length_c 6.63389000\n_cell_angle_alpha 110.34602000\n_cell_angle_beta 79.48631000\n_cell_angle_gamma 89.93983000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.36889938\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19625876 0.10963180 0.38490193 1\n C C1 1 0.52905790 0.48102070 0.71683120 1\n C C2 1 0.86754874 0.83984016 1.03590616 1\n C C3 1 0.65042131 0.31189494 0.47523380 1\n C C4 1 0.67623323 0.63244464 0.43155293 1\n C C5 1 0.97367450 0.59374844 0.82331870 1\n C C6 1 0.31263905 0.94942691 0.14251338 1\n C C7 1 0.18297731 0.78325712 0.42056531 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58568000\n_cell_length_b 4.43952000\n_cell_length_c 6.44359000\n_cell_angle_alpha 75.70584000\n_cell_angle_beta 80.97107000\n_cell_angle_gamma 76.18884000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.22639594\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.22119656 0.48428260 0.63516063 1\n C C1 1 0.92043159 0.04558702 0.42264215 1\n C C2 1 0.75754332 -0.15974146 0.62778386 1\n C C3 1 -0.27866539 1.05643950 0.20732750 1\n C C4 1 0.95788989 0.82911959 0.84216419 1\n C C5 1 0.27406690 0.34476662 0.75837371 1\n C C6 1 0.40497304 0.54028765 0.29318513 1\n C C7 1 -0.10038387 0.40014800 0.41674112 1\n C C8 1 0.27542014 0.89091098 0.25508570 1\n C C9 1 0.09870871 0.48576650 0.95790352 1\n C C10 1 0.40361467 -0.00562985 0.79615445 1\n C C11 1 0.58002336 0.39985565 0.09223946 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.20653000\n_cell_length_b 4.31500000\n_cell_length_c 6.16405000\n_cell_angle_alpha 89.87308000\n_cell_angle_beta 75.33164000\n_cell_angle_gamma 116.19670000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.39112660\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89157919 0.75424492 1.02256805 1\n C C1 1 0.89403697 0.08446557 0.63983205 1\n C C2 1 -0.10901467 0.58188606 0.83700487 1\n C C3 1 -0.10651899 0.25457162 0.83552754 1\n C C4 1 0.90582928 0.08850906 0.25520236 1\n C C5 1 -0.10766475 0.08133256 0.02139840 1\n C C6 1 0.90531028 0.76125420 0.25630773 1\n C C7 1 0.89644241 0.58571701 0.44415016 1\n C C8 1 0.89843570 0.25780851 0.44286416 1\n C C9 1 0.89318339 0.75459767 0.64059427 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45641000\n_cell_length_b 3.66393000\n_cell_length_c 6.45325000\n_cell_angle_alpha 82.09411000\n_cell_angle_beta 100.95226000\n_cell_angle_gamma 70.41656000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.43696818\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90779324 0.93744770 0.02474096 1\n C C1 1 0.74119106 0.83802736 0.59400610 1\n C C2 1 0.33433256 0.45909051 0.39814162 1\n C C3 1 0.51137870 1.05651580 0.34928146 1\n C C4 1 0.34589088 0.95629464 0.91812632 1\n C C5 1 0.04897798 0.89261436 0.26190796 1\n C C6 1 -0.08074666 0.43536833 0.54459852 1\n C C7 1 0.20350293 0.00183390 0.68096315 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51825000\n_cell_length_b 4.14763000\n_cell_length_c 6.74191000\n_cell_angle_alpha 89.99983000\n_cell_angle_beta 90.08560000\n_cell_angle_gamma 89.99877000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.41761563\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79067293 0.11861825 0.53567172 1\n C C1 1 0.79000800 0.63767784 0.33540543 1\n C C2 1 0.79168683 0.13770374 0.16163240 1\n C C3 1 0.29189848 -0.01006263 0.64371343 1\n C C4 1 0.29362368 0.48994990 0.85351914 1\n C C5 1 0.79182989 0.46993731 0.16148394 1\n C C6 1 0.29267564 0.61746018 0.64360075 1\n C C7 1 0.29330306 0.11748344 0.85362822 1\n C C8 1 0.79331220 0.98873268 0.96175814 1\n C C9 1 0.79357978 0.61870990 0.96162277 1\n C C10 1 0.79149882 0.48875839 0.53550143 1\n C C11 1 0.78943800 0.96993401 0.33554512 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37405000\n_cell_length_b 4.87822000\n_cell_length_c 5.43818000\n_cell_angle_alpha 97.32483000\n_cell_angle_beta 86.85241000\n_cell_angle_gamma 66.30069000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.73437595\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07706905 1.03830468 0.16743434 1\n C C1 1 -0.13377953 0.83501112 0.27536825 1\n C C2 1 0.95322092 0.56528612 0.07524145 1\n C C3 1 0.83141900 0.43092156 0.64470755 1\n C C4 1 0.72793559 0.36015377 0.17854499 1\n C C5 1 0.41326337 0.36588956 0.00355796 1\n C C6 1 1.18417721 0.78974785 0.47500814 1\n C C7 1 0.38834638 -0.00766091 0.37090288 1\n C C8 1 -0.02841229 0.90433982 0.74058362 1\n C C9 1 0.74619178 0.69949946 0.84410342 1\n C C10 1 0.62201603 0.22673345 0.75235571 1\n C C11 1 0.51457416 0.47551440 0.44408856 1\n C C12 1 0.28607870 0.89832994 0.91598721 1\n C C13 1 0.30983204 0.27278859 0.54847613 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68683000\n_cell_length_b 3.26851000\n_cell_length_c 5.72960000\n_cell_angle_alpha 55.19315000\n_cell_angle_beta 62.40570000\n_cell_angle_gamma 63.64147000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.68827639\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11869322 0.39450007 0.64782308 1\n C C1 1 1.11861743 0.76535604 0.14786476 1\n C C2 1 0.24931711 0.57151547 0.77625017 1\n C C3 1 0.44745889 0.08207427 1.01297768 1\n C C4 1 0.92027318 0.88411486 0.41118424 1\n C C5 1 0.44743774 1.01863904 0.51286713 1\n C C6 1 0.24936741 0.20081849 0.27620762 1\n C C7 1 0.92028842 0.94752425 0.91127463 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48164000\n_cell_length_b 3.68908000\n_cell_length_c 4.21817000\n_cell_angle_alpha 75.21739000\n_cell_angle_beta 89.97364000\n_cell_angle_gamma 109.65467000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00531858\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47196370 0.79312077 0.32482176 1\n C C1 1 -0.10665932 0.63595705 0.19410996 1\n C C2 1 0.21548782 0.27712319 0.89651907 1\n C C3 1 0.44051590 0.72275451 0.69003189 1\n C C4 1 0.69612844 0.23862996 0.11845800 1\n C C5 1 0.01864245 0.87916823 0.82104563 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48419000\n_cell_length_b 5.79651000\n_cell_length_c 4.59899000\n_cell_angle_alpha 69.72202000\n_cell_angle_beta 74.32962000\n_cell_angle_gamma 102.37174000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.22832936\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23623313 0.07078783 0.35525776 1\n C C1 1 0.09419916 0.46773236 0.04115547 1\n C C2 1 0.35447034 0.75251327 0.80510316 1\n C C3 1 0.96550183 0.53226133 0.35934357 1\n C C4 1 0.85157700 0.85074963 0.90915761 1\n C C5 1 0.67688301 0.28352217 0.68982267 1\n C C6 1 0.11110404 0.13560290 0.67365561 1\n C C7 1 0.61192971 0.89621557 0.43071386 1\n C C8 1 0.59099842 0.70701696 0.28353174 1\n C C9 1 0.52798415 0.31983208 0.02479235 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.37574000\n_cell_length_b 4.68977000\n_cell_length_c 5.74139000\n_cell_angle_alpha 84.55487000\n_cell_angle_beta 90.00653000\n_cell_angle_gamma 117.82634000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.59543669\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.23553767 0.83696180 0.84207112 1\n C C1 1 0.29588182 0.17889978 0.70416545 1\n C C2 1 0.54915426 0.48824994 0.55200047 1\n C C3 1 0.65429032 0.35875954 0.35492741 1\n C C4 1 0.08788508 0.48793140 1.05210147 1\n C C5 1 0.85306283 0.35878202 0.85498761 1\n C C6 1 0.80775221 0.85978665 0.09473414 1\n C C7 1 0.03142795 0.17857743 0.20442917 1\n C C8 1 0.20065288 0.85997713 0.59455302 1\n C C9 1 0.47159310 0.12477025 -0.05323785 1\n C C10 1 0.80229848 0.12496784 0.44690318 1\n C C11 1 0.45778437 0.78036670 0.98399591 1\n C C12 1 -0.07278704 0.62838291 0.21033502 1\n C C13 1 0.22165515 0.83698808 0.34193205 1\n C C14 1 0.47177600 0.78088232 0.48405952 1\n C C15 1 0.94194726 0.15701282 0.70463362 1\n C C16 1 0.36357649 0.15686370 0.20446051 1\n C C17 1 0.85034472 0.62853819 0.71041740 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46274000\n_cell_length_b 5.55367000\n_cell_length_c 6.30628000\n_cell_angle_alpha 111.62160000\n_cell_angle_beta 78.78332000\n_cell_angle_gamma 116.22812000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.87612781\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97644773 0.54558598 0.66404841 1\n C C1 1 0.41535853 0.93343477 0.56546308 1\n C C2 1 -0.29275241 0.02451549 0.16440321 1\n C C3 1 1.14928746 0.60269958 0.43552543 1\n C C4 1 0.23187541 0.86788135 0.79942450 1\n C C5 1 0.21245546 0.42377954 -0.04689356 1\n C C6 1 0.69640616 0.46476108 0.06767564 1\n C C7 1 0.74471145 0.94823972 0.93508347 1\n C C8 1 0.24596332 0.12676505 0.29122246 1\n C C9 1 0.30614056 0.39539868 0.70556292 1\n C C10 1 0.59019404 0.47704968 0.30444888 1\n C C11 1 0.09101619 0.09284137 0.53288778 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48101000\n_cell_length_b 3.68649000\n_cell_length_c 4.22191000\n_cell_angle_alpha 75.00969000\n_cell_angle_beta 89.95910000\n_cell_angle_gamma 70.40053000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98182125\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22357880 0.61043096 1.02597891 1\n C C1 1 0.34920619 0.36444094 0.39977040 1\n C C2 1 0.02746839 0.00777817 0.10195140 1\n C C3 1 0.77075006 0.52171136 0.53022369 1\n C C4 1 0.54695444 0.96785920 0.32340269 1\n C C5 1 0.80158853 0.45414576 0.89510290 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43824000\n_cell_length_b 2.55260000\n_cell_length_c 7.23327000\n_cell_angle_alpha 118.53286000\n_cell_angle_beta 90.35385000\n_cell_angle_gamma 89.41387000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.54885153\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95735500 0.44882823 0.94055008 1\n C C1 1 0.45764797 0.62120020 1.04818344 1\n C C2 1 0.45733698 0.59314823 0.38180376 1\n C C3 1 0.95758254 0.09602487 0.71940801 1\n C C4 1 0.45762351 0.95393001 0.27822989 1\n C C5 1 0.45728301 0.92432207 0.61187431 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43350000\n_cell_length_b 4.81624000\n_cell_length_c 4.22397000\n_cell_angle_alpha 90.59924000\n_cell_angle_beta 73.28793000\n_cell_angle_gamma 104.65704000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.76841605\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53048553 0.46404093 0.62304771 1\n C C1 1 0.38660959 0.71664556 0.16094461 1\n C C2 1 0.77310960 0.72345491 0.39692542 1\n C C3 1 0.68824201 0.25124192 1.09570779 1\n C C4 1 0.82526440 1.00429841 0.57050601 1\n C C5 1 0.62907849 0.97575263 0.93516525 1\n C C6 1 0.33307928 0.43531099 0.98774938 1\n C C7 1 0.47008549 0.18792017 0.46313732 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47037000\n_cell_length_b 3.23774000\n_cell_length_c 5.18096000\n_cell_angle_alpha 88.28192000\n_cell_angle_beta 90.02266000\n_cell_angle_gamma 112.36983000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.30106238\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70541499 0.92976881 0.65050461 1\n C C1 1 0.20569250 0.93010441 0.80332808 1\n C C2 1 0.89201790 0.30451522 0.42961050 1\n C C3 1 0.53118851 0.58199721 0.43106698 1\n C C4 1 0.71776343 -0.04395859 0.21219224 1\n C C5 1 0.21722569 -0.04498236 0.05923348 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47371000\n_cell_length_b 4.24869000\n_cell_length_c 4.47125000\n_cell_angle_alpha 111.39625000\n_cell_angle_beta 123.61778000\n_cell_angle_gamma 89.99648000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17905186\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43410482 0.66061340 0.39682058 1\n C C1 1 -0.00101906 0.38296812 -0.03800715 1\n C C2 1 0.47920693 0.15981940 -0.05784748 1\n C C3 1 0.59114867 0.38287317 0.55377624 1\n C C4 1 0.88776883 0.15972770 0.35030540 1\n C C5 1 0.04483791 0.88212341 0.50744071 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67231000\n_cell_length_b 4.44832000\n_cell_length_c 5.30554000\n_cell_angle_alpha 81.48099000\n_cell_angle_beta 97.54939000\n_cell_angle_gamma 59.01711000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.64674285\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41455859 0.57321797 0.37443195 1\n C C1 1 0.31670992 0.37990777 0.58970684 1\n C C2 1 0.11840530 0.61788702 0.74464003 1\n C C3 1 0.17046097 -0.05571777 0.76935960 1\n C C4 1 0.78203601 0.31710799 0.30771139 1\n C C5 1 0.07155146 0.75921292 0.16536424 1\n C C6 1 0.89695106 0.09991351 0.91661600 1\n C C7 1 0.80679306 0.44090722 1.02796987 1\n C C8 1 0.42723116 0.88008535 0.41873836 1\n C C9 1 0.51064057 0.85326257 0.93197788 1\n C C10 1 0.78586992 0.98278973 0.30342557 1\n C C11 1 0.12541844 0.45298531 1.03087936 1\n C C12 1 0.44571478 0.05775911 0.15429058 1\n C C13 1 0.13315597 1.17018214 0.50791822 1\n C C14 1 0.62340337 0.06347863 0.75972779 1\n C C15 1 0.76255593 0.83975635 0.57208052 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44106000\n_cell_length_b 6.04492000\n_cell_length_c 5.58924000\n_cell_angle_alpha 102.21611000\n_cell_angle_beta 90.07642000\n_cell_angle_gamma 101.71800000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.84279195\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50451494 0.97122266 0.83478050 1\n C C1 1 0.86257926 0.68055109 0.24562078 1\n C C2 1 -0.01144194 -0.06369006 0.23361761 1\n C C3 1 1.18232542 0.32150853 0.54635451 1\n C C4 1 0.86131958 0.67786076 0.51886604 1\n C C5 1 0.30201790 0.56145560 0.13961819 1\n C C6 1 -0.37509931 0.20643255 1.00645237 1\n C C7 1 0.97529454 0.91562541 0.67839575 1\n C C8 1 0.74303740 0.44355179 0.56059822 1\n C C9 1 0.51307945 0.98481030 0.10162408 1\n C C10 1 0.19033375 0.33644061 1.04423606 1\n C C11 1 0.05226431 0.06873765 0.49470188 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48516000\n_cell_length_b 4.68043000\n_cell_length_c 4.78062000\n_cell_angle_alpha 76.27302000\n_cell_angle_beta 58.65456000\n_cell_angle_gamma 74.58698000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44996646\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04795752 0.61926028 0.97448179 1\n C C1 1 0.35715506 0.76386810 0.09329292 1\n C C2 1 1.10807367 0.07493731 0.68643174 1\n C C3 1 1.29730711 0.30758879 0.38057412 1\n C C4 1 0.34655637 0.73397561 0.61854177 1\n C C5 1 0.38061098 1.07748381 0.91256797 1\n C C6 1 0.02516941 0.30556600 0.15421652 1\n C C7 1 0.05893048 0.64809080 0.44888787 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45788000\n_cell_length_b 4.74515000\n_cell_length_c 8.02031000\n_cell_angle_alpha 94.52557000\n_cell_angle_beta 89.99625000\n_cell_angle_gamma 121.23549000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 79.64057043\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83540733 0.51870126 1.08017050 1\n C C1 1 0.28789124 0.46873918 0.62343130 1\n C C2 1 0.54461571 0.72676868 0.48310453 1\n C C3 1 0.25202164 0.93439281 0.48068160 1\n C C4 1 0.42405585 0.10213887 0.86239257 1\n C C5 1 -0.23217683 -0.05406191 0.84550841 1\n C C6 1 0.40902640 0.58925386 0.81168681 1\n C C7 1 0.78300552 0.46285533 0.89304144 1\n C C8 1 0.59575179 0.27700513 0.57139993 1\n C C9 1 0.32126366 0.50541631 0.16221468 1\n C C10 1 0.24119004 0.42576575 0.33792007 1\n C C11 1 0.56002685 0.24449422 0.38368325 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43262000\n_cell_length_b 4.20266000\n_cell_length_c 6.20740000\n_cell_angle_alpha 67.90253000\n_cell_angle_beta 101.40314000\n_cell_angle_gamma 89.82749000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.42938529\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62541852 0.59180306 0.83449564 1\n C C1 1 0.79747682 0.65448062 0.32848132 1\n C C2 1 0.29671801 0.48761683 0.32815905 1\n C C3 1 0.29748346 0.15447727 0.32848497 1\n C C4 1 0.12612292 0.75872706 0.83468375 1\n C C5 1 0.62611451 0.25871515 0.83469567 1\n C C6 1 0.12543413 0.09179948 0.83450022 1\n C C7 1 0.79671764 -0.01239067 0.32817027 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48288000\n_cell_length_b 3.78091000\n_cell_length_c 8.00404000\n_cell_angle_alpha 109.25611000\n_cell_angle_beta 108.01836000\n_cell_angle_gamma 89.88400000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.03610499\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27940615 0.82644400 0.91053400 1\n C C1 1 0.65784385 0.32326086 0.29097535 1\n C C2 1 0.55150838 1.01964957 0.68574450 1\n C C3 1 0.03569854 0.23287476 0.16764566 1\n C C4 1 0.88465240 0.83878096 1.01642594 1\n C C5 1 1.02565405 0.63749877 0.15697285 1\n C C6 1 0.13039362 -0.05049811 0.76414873 1\n C C7 1 0.40276635 0.13707931 0.53765632 1\n C C8 1 0.79715036 0.12243087 0.43144368 1\n C C9 1 0.64716869 0.72777552 0.28040616 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.67083000\n_cell_length_b 5.65463000\n_cell_length_c 4.86023000\n_cell_angle_alpha 100.33029000\n_cell_angle_beta 112.63233000\n_cell_angle_gamma 121.41443000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.61406136\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84007623 0.59100469 0.57125012 1\n C C1 1 0.23837577 0.08505599 1.03516196 1\n C C2 1 -0.09200990 0.59387676 1.07800931 1\n C C3 1 0.79337461 0.73250487 0.83947998 1\n C C4 1 0.33088309 0.66215230 0.81490318 1\n C C5 1 0.86099493 0.73528568 0.34610319 1\n C C6 1 0.43418008 0.24256964 0.37433741 1\n C C7 1 0.37022368 0.66422779 0.10224210 1\n C C8 1 0.26680492 0.08371838 0.54343324 1\n C C9 1 0.46175828 0.24164310 -0.11778568 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38251000\n_cell_length_b 5.47638000\n_cell_length_c 4.88599000\n_cell_angle_alpha 115.89719000\n_cell_angle_beta 98.43832000\n_cell_angle_gamma 78.92318000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.69936639\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.14087887 0.32054121 0.69264579 1\n C C1 1 0.35040049 0.59840925 0.32123247 1\n C C2 1 0.81746228 1.00250360 0.69712670 1\n C C3 1 0.30726355 0.57940991 0.79279122 1\n C C4 1 0.58308716 0.58330230 0.06193312 1\n C C5 1 0.92254370 0.29807078 0.92249652 1\n C C6 1 0.60004505 0.58702443 0.59116134 1\n C C7 1 0.78556407 0.84553765 0.13260850 1\n C C8 1 0.15980882 0.32150638 0.21369515 1\n C C9 1 0.40923644 0.07003408 0.53388978 1\n C C10 1 0.85631925 0.32588164 0.43353720 1\n C C11 1 0.89566551 0.78224952 0.81672115 1\n C C12 1 0.09651926 0.86925555 0.40968434 1\n C C13 1 0.54167315 0.12550171 0.28475753 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42995000\n_cell_length_b 3.99473000\n_cell_length_c 7.41950000\n_cell_angle_alpha 93.40163000\n_cell_angle_beta 83.32285000\n_cell_angle_gamma 87.69046000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.32554864\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78460666 0.87437579 0.45581061 1\n C C1 1 1.38337283 0.47582620 0.25470797 1\n C C2 1 0.52143534 -0.05728912 -0.01336798 1\n C C3 1 0.58937400 0.67728192 0.85293260 1\n C C4 1 0.31726483 0.73933419 0.38961489 1\n C C5 1 0.71998199 0.13878725 0.58996522 1\n C C6 1 -0.01347634 0.07801270 0.05257828 1\n C C7 1 1.12249292 0.54078197 0.78820075 1\n C C8 1 -0.08212032 0.34191054 0.18740175 1\n C C9 1 0.18799770 0.27524146 0.65476673 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45229000\n_cell_length_b 4.54686000\n_cell_length_c 6.06354000\n_cell_angle_alpha 129.66792000\n_cell_angle_beta 101.59497000\n_cell_angle_gamma 105.77800000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.20790712\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08268703 -0.02036990 0.80055889 1\n C C1 1 0.11654567 0.17285416 0.67363256 1\n C C2 1 0.45688882 0.04228481 0.48482697 1\n C C3 1 0.57348014 0.90127210 0.86159434 1\n C C4 1 0.54128770 0.70840841 0.98855353 1\n C C5 1 0.20099294 0.83876561 0.17737679 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50628000\n_cell_length_b 2.44791000\n_cell_length_c 10.69486000\n_cell_angle_alpha 89.89421000\n_cell_angle_beta 104.20297000\n_cell_angle_gamma 90.32186000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.60787258\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12616387 0.52281907 0.69707166 1\n C C1 1 0.32042732 1.02231270 0.90664406 1\n C C2 1 0.29350803 0.02319130 0.38523834 1\n C C3 1 0.44823190 0.02316653 0.52542925 1\n C C4 1 0.58751168 0.02219635 0.17805503 1\n C C5 1 0.53042389 0.52287149 0.60303468 1\n C C6 1 0.38557468 0.52222420 0.97505066 1\n C C7 1 0.20263982 1.02265753 0.77400290 1\n C C8 1 0.52355966 0.52230316 0.11106044 1\n C C9 1 0.72508356 1.02280507 0.31946868 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47186000\n_cell_length_b 7.34322000\n_cell_length_c 5.30982000\n_cell_angle_alpha 93.69918000\n_cell_angle_beta 93.50029000\n_cell_angle_gamma 106.46570000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.91801056\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38151918 0.65140324 0.01368518 1\n C C1 1 0.70730350 0.16808255 0.10702164 1\n C C2 1 0.96268059 0.77315714 0.04239040 1\n C C3 1 0.44094321 0.90466052 0.69714347 1\n C C4 1 0.65443259 0.40379644 0.80397311 1\n C C5 1 0.07588680 0.89049573 0.28716501 1\n C C6 1 0.45594002 0.62004903 0.48837236 1\n C C7 1 0.09607827 0.75254264 0.49219763 1\n C C8 1 1.31153713 0.20101578 0.69924489 1\n C C9 1 0.69733153 0.10240253 0.58190424 1\n C C10 1 -0.02004754 0.91329394 0.85400673 1\n C C11 1 0.16344482 0.11600338 0.95324528 1\n C C12 1 0.65691463 1.02512825 0.31336682 1\n C C13 1 0.27104042 0.52093224 0.75777465 1\n C C14 1 0.34764524 0.49943540 0.21368219 1\n C C15 1 0.76310622 0.38601552 0.12464518 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47369000\n_cell_length_b 6.19431000\n_cell_length_c 7.80640000\n_cell_angle_alpha 60.43501000\n_cell_angle_beta 89.99065000\n_cell_angle_gamma 101.54790000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 101.24617122\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64221292 0.16633355 0.74297127 1\n C C1 1 0.81904953 0.51913725 0.45198205 1\n C C2 1 0.40353877 0.68574689 0.78691889 1\n C C3 1 0.32708826 0.53311680 0.71335519 1\n C C4 1 -0.10404142 0.67653164 1.05655559 1\n C C5 1 0.08271400 0.04521680 0.76993060 1\n C C6 1 0.33547323 0.55287570 0.35669863 1\n C C7 1 0.78405048 0.44650971 0.66468319 1\n C C8 1 0.94499188 0.76744286 0.83996223 1\n C C9 1 -0.03623230 1.08706062 0.25774927 1\n C C10 1 0.37726073 0.63735041 0.15307187 1\n C C11 1 0.46484312 1.08966076 0.25766854 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43921000\n_cell_length_b 6.00211000\n_cell_length_c 6.25235000\n_cell_angle_alpha 61.92377000\n_cell_angle_beta 89.95121000\n_cell_angle_gamma 78.25661000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.59559179\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54602810 0.65247431 0.76627575 1\n C C1 1 0.79393621 0.15198887 0.60579522 1\n C C2 1 0.55251535 0.63479694 0.17821000 1\n C C3 1 0.31040191 0.11694292 0.51912887 1\n C C4 1 0.21780724 0.30381313 0.08503756 1\n C C5 1 0.77673168 0.19195743 0.80650217 1\n C C6 1 0.34940824 0.04617194 0.32329846 1\n C C7 1 0.01338519 0.71517359 0.23122782 1\n C C8 1 0.02392936 0.69518160 0.64324484 1\n C C9 1 1.25752191 0.23144021 0.89005651 1\n C C10 1 0.93592647 0.87367261 0.36615432 1\n C C11 1 0.63152643 0.47606214 0.04310757 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.66597000\n_cell_length_b 3.84948000\n_cell_length_c 5.52600000\n_cell_angle_alpha 105.38880000\n_cell_angle_beta 106.06787000\n_cell_angle_gamma 79.37716000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.73076455\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02477553 0.64738134 -0.02763051 1\n C C1 1 0.42405888 0.24829780 0.73022917 1\n C C2 1 0.67626608 -0.00888609 0.60413676 1\n C C3 1 0.68202988 0.99650505 0.34166620 1\n C C4 1 1.18041520 0.49492788 0.35096158 1\n C C5 1 0.42185187 0.24593773 0.21291209 1\n C C6 1 0.33221152 0.34022798 -0.02748859 1\n C C7 1 0.92960366 0.73701845 0.21312121 1\n C C8 1 0.17667231 0.49149337 0.59314922 1\n C C9 1 -0.06741573 0.73877650 0.73042615 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48070000\n_cell_length_b 3.68833000\n_cell_length_c 4.84028000\n_cell_angle_alpha 111.48005000\n_cell_angle_beta 104.84821000\n_cell_angle_gamma 109.64559000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98710977\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06052502 -0.07896730 0.08389653 1\n C C1 1 -0.04460452 0.16017936 0.87749826 1\n C C2 1 0.91559661 0.57720809 0.38161340 1\n C C3 1 0.64074704 1.10357691 0.30571357 1\n C C4 1 0.66453972 0.44800161 0.00874122 1\n C C5 1 0.62488236 0.86486322 0.51243333 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51534000\n_cell_length_b 4.94949000\n_cell_length_c 5.66073000\n_cell_angle_alpha 83.13281000\n_cell_angle_beta 116.04298000\n_cell_angle_gamma 108.62222000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.98583541\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11015626 -0.16734053 0.37182845 1\n C C1 1 0.06890396 0.25089884 0.10269587 1\n C C2 1 0.45627752 0.56520184 0.77215158 1\n C C3 1 -0.13946036 0.82163547 0.88367110 1\n C C4 1 0.09002660 0.53720303 0.47442042 1\n C C5 1 0.99264815 0.93187066 0.12683411 1\n C C6 1 0.42135970 0.30977556 0.93202142 1\n C C7 1 1.01602017 1.06995032 0.72643537 1\n C C8 1 0.39049326 0.36069731 0.39060521 1\n C C9 1 0.35869304 1.08318072 0.55416128 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49580000\n_cell_length_b 4.35477000\n_cell_length_c 4.35559000\n_cell_angle_alpha 120.01862000\n_cell_angle_beta 89.99928000\n_cell_angle_gamma 90.00179000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.98935743\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63817293 0.46219020 0.32743629 1\n C C1 1 0.63794450 0.80734844 0.67259550 1\n C C2 1 0.13811943 0.35875033 0.12087839 1\n C C3 1 0.63822640 0.46224519 0.67263716 1\n C C4 1 0.13788142 0.01382391 0.77585882 1\n C C5 1 0.13814162 0.35883162 0.77580544 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43197000\n_cell_length_b 4.86132000\n_cell_length_c 6.01299000\n_cell_angle_alpha 69.99214000\n_cell_angle_beta 76.40166000\n_cell_angle_gamma 59.76057000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.53620852\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51160492 0.01929731 0.30694565 1\n C C1 1 0.46068558 0.73886318 0.80828607 1\n C C2 1 0.79460110 0.40583356 0.80819668 1\n C C3 1 0.51159199 0.51931226 0.30693161 1\n C C4 1 0.17767647 0.85234188 0.30702100 1\n C C5 1 0.17767585 0.35233244 0.30703392 1\n C C6 1 0.46067265 0.23887813 0.80827203 1\n C C7 1 0.79460172 0.90584300 0.80818376 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53955000\n_cell_length_b 4.83826000\n_cell_length_c 5.86486000\n_cell_angle_alpha 65.84036000\n_cell_angle_beta 77.49899000\n_cell_angle_gamma 91.37898000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.67537839\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78000584 0.32600159 0.55474077 1\n C C1 1 0.56077953 0.86807247 0.99748323 1\n C C2 1 -0.15949061 0.12481727 0.43647283 1\n C C3 1 0.65524519 0.19367220 0.81925902 1\n C C4 1 0.56932496 0.34211035 -0.00320736 1\n C C5 1 -0.02019051 0.18719323 0.16260548 1\n C C6 1 0.97376272 0.85722135 0.16300263 1\n C C7 1 -0.16466855 0.64570761 0.43727215 1\n C C8 1 0.63471831 0.67429946 0.85960970 1\n C C9 1 0.76246893 0.80774447 0.59288854 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45665000\n_cell_length_b 3.66650000\n_cell_length_c 6.91112000\n_cell_angle_alpha 67.54970000\n_cell_angle_beta 110.85037000\n_cell_angle_gamma 109.61051000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.30809487\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72544466 0.98674631 0.68745540 1\n C C1 1 0.26381156 0.23565192 0.60072688 1\n C C2 1 -0.03483492 0.97060765 0.93429388 1\n C C3 1 0.55063897 0.53690307 0.73814616 1\n C C4 1 0.12453775 0.43042345 0.36433140 1\n C C5 1 0.56636412 0.52685375 0.25822695 1\n C C6 1 0.42886576 0.72268079 0.02140592 1\n C C7 1 1.13812131 0.42024115 0.88380200 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48759000\n_cell_length_b 4.30486000\n_cell_length_c 4.97293000\n_cell_angle_alpha 125.28606000\n_cell_angle_beta 90.00461000\n_cell_angle_gamma 89.99900000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.46987133\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41969197 0.07163537 0.45364681 1\n C C1 1 0.42000247 0.82176206 0.07864289 1\n C C2 1 0.92015630 0.32170753 0.07853546 1\n C C3 1 -0.08002911 0.57176516 -0.04640750 1\n C C4 1 0.91971953 0.32163010 0.57859530 1\n C C5 1 0.41944603 0.82157720 0.57858935 1\n C C6 1 0.42012492 0.07171546 0.95358895 1\n C C7 1 0.91941661 0.57157871 0.45353845 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48275000\n_cell_length_b 3.84909000\n_cell_length_c 5.91159000\n_cell_angle_alpha 130.60726000\n_cell_angle_beta 114.84645000\n_cell_angle_gamma 89.98854000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.72576116\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67177827 0.79739014 0.85763660 1\n C C1 1 0.66815393 -0.00115893 0.35405017 1\n C C2 1 0.40475776 0.23518389 0.59076369 1\n C C3 1 0.66761817 0.58888646 0.35366504 1\n C C4 1 0.40434446 0.82515760 0.59047393 1\n C C5 1 0.40081721 1.02673635 1.08685397 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48689000\n_cell_length_b 3.51824000\n_cell_length_c 5.56076000\n_cell_angle_alpha 108.48148000\n_cell_angle_beta 132.11990000\n_cell_angle_gamma 89.97912000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.63246399\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.09503171 0.58300499 0.91708476 1\n C C1 1 0.09506708 0.24969864 0.25042032 1\n C C2 1 0.59496719 -0.00039492 0.25039879 1\n C C3 1 0.59500256 0.66629874 0.58373435 1\n C C4 1 0.59493879 0.33291440 0.91706610 1\n C C5 1 0.09509548 0.91638932 0.58375301 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.84734000\n_cell_length_b 4.94560000\n_cell_length_c 6.06634000\n_cell_angle_alpha 64.85269000\n_cell_angle_beta 74.43769000\n_cell_angle_gamma 71.44312000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.42141483\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.09823178 0.46731411 0.54458021 1\n C C1 1 0.56062661 0.42048240 0.93595328 1\n C C2 1 0.51103741 1.07445053 0.32642859 1\n C C3 1 0.35101762 0.39034191 0.17882550 1\n C C4 1 0.58687490 0.63374356 0.69377850 1\n C C5 1 0.38110792 0.94774447 0.58145752 1\n C C6 1 0.85512391 0.12151634 0.93550539 1\n C C7 1 0.82723631 0.90812093 0.17742898 1\n C C8 1 0.06448576 0.15162578 0.69233899 1\n C C9 1 0.03188864 0.59412046 0.28942484 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45769000\n_cell_length_b 4.87195000\n_cell_length_c 6.52281000\n_cell_angle_alpha 75.80796000\n_cell_angle_beta 67.84293000\n_cell_angle_gamma 90.02739000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.75042362\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92070019 0.51565518 0.17558216 1\n C C1 1 0.17598203 0.63030282 0.92276220 1\n C C2 1 0.01863026 -0.05691286 0.57867439 1\n C C3 1 0.51355156 0.38294613 0.58380454 1\n C C4 1 0.58628987 0.12657491 0.51100045 1\n C C5 1 0.67141029 0.12576337 0.92658137 1\n C C6 1 0.26563698 0.32832909 0.83279696 1\n C C7 1 0.84222060 0.21135684 0.25443542 1\n C C8 1 0.76404421 0.82078879 0.83458303 1\n C C9 1 0.41028294 0.07234599 0.18549527 1\n C C10 1 0.21317945 0.80323179 0.38151458 1\n C C11 1 0.71428983 0.63164784 0.38020492 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46863000\n_cell_length_b 5.00388000\n_cell_length_c 8.77050000\n_cell_angle_alpha 69.33328000\n_cell_angle_beta 65.02786000\n_cell_angle_gamma 60.38692000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.93938275\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03971950 0.66444565 0.84031552 1\n C C1 1 0.72223386 0.25170561 0.32414772 1\n C C2 1 0.92749164 0.73626952 0.19750564 1\n C C3 1 0.75958261 0.07425701 0.08493279 1\n C C4 1 -0.16234285 0.20549590 0.61246281 1\n C C5 1 -0.00968530 0.14224684 0.88694603 1\n C C6 1 0.62930264 0.54566604 0.18997917 1\n C C7 1 0.69182438 0.50506090 0.84552756 1\n C C8 1 0.21281241 0.12428229 0.41556701 1\n C C9 1 0.73631026 0.01606234 0.80702416 1\n C C10 1 0.56894584 0.78947157 0.40068563 1\n C C11 1 0.02598985 0.22257659 0.14175684 1\n C C12 1 1.08651969 0.65467368 0.47919200 1\n C C13 1 0.17757197 0.39387406 0.59342711 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50659000\n_cell_length_b 4.46923000\n_cell_length_c 6.77986000\n_cell_angle_alpha 111.43648000\n_cell_angle_beta 88.71141000\n_cell_angle_gamma 90.69341000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.67899417\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14671489 0.19660970 0.40301258 1\n C C1 1 0.28408266 0.40092411 0.64103005 1\n C C2 1 0.79006456 0.32490728 0.74712950 1\n C C3 1 -0.14050414 0.02781685 -0.02190412 1\n C C4 1 0.74083467 0.83582948 0.08663742 1\n C C5 1 0.85646925 -0.04043849 0.74628313 1\n C C6 1 0.63566662 -0.02398629 0.32584376 1\n C C7 1 0.51951305 0.68741735 0.40331663 1\n C C8 1 0.92809327 0.34188657 0.09386467 1\n C C9 1 0.03394484 0.47263346 0.31908700 1\n C C10 1 0.79029650 0.51717941 0.97928437 1\n C C11 1 0.37688011 0.76446066 0.64085660 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48826000\n_cell_length_b 4.30439000\n_cell_length_c 5.55994000\n_cell_angle_alpha 121.08080000\n_cell_angle_beta 116.60160000\n_cell_angle_gamma 89.99678000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47535769\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35381763 -0.00898976 0.41370485 1\n C C1 1 0.35377468 0.49115738 0.91370090 1\n C C2 1 0.85399696 0.49101018 0.41370798 1\n C C3 1 0.22799213 0.74102916 0.78853305 1\n C C4 1 0.22839289 0.24088060 0.28854238 1\n C C5 1 0.72817146 0.24102910 0.78853618 1\n C C6 1 0.72821441 0.74088196 0.28854013 1\n C C7 1 0.85359620 0.99115874 0.91369865 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47734000\n_cell_length_b 5.54499000\n_cell_length_c 6.71762000\n_cell_angle_alpha 60.65594000\n_cell_angle_beta 89.99822000\n_cell_angle_gamma 63.45414000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.06310345\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38410210 -0.01268814 0.56472021 1\n C C1 1 0.40648327 0.46428475 0.39966004 1\n C C2 1 1.20560901 0.16573208 0.30564676 1\n C C3 1 0.18328773 0.68855311 0.47075227 1\n C C4 1 -0.35623656 0.72695381 -0.00913472 1\n C C5 1 0.92535032 0.94577483 0.89592350 1\n C C6 1 0.71058124 0.66134292 0.61338367 1\n C C7 1 -0.12111054 0.49159987 0.25699856 1\n C C8 1 0.81746114 1.05377373 0.24678415 1\n C C9 1 0.77236989 0.09931932 0.62359369 1\n C C10 1 0.66516938 0.20684327 0.97447809 1\n C C11 1 -0.05375068 0.42599705 0.87949279 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46757000\n_cell_length_b 3.37200000\n_cell_length_c 6.14423000\n_cell_angle_alpha 121.87253000\n_cell_angle_beta 78.47556000\n_cell_angle_gamma 111.39821000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.42133069\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20538880 0.49133727 0.64045092 1\n C C1 1 0.57569737 0.83892083 0.24138625 1\n C C2 1 0.05004602 0.66300243 0.11777998 1\n C C3 1 0.42777006 1.01250998 0.71860007 1\n C C4 1 1.01444047 0.31132896 0.84349132 1\n C C5 1 0.61835107 0.19246973 0.51548397 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.54872000\n_cell_length_b 4.55293000\n_cell_length_c 3.39631000\n_cell_angle_alpha 68.08692000\n_cell_angle_beta 68.10515000\n_cell_angle_gamma 99.99797000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.41057716\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60706533 0.46056062 0.19359496 1\n C C1 1 0.45506067 0.61202979 0.84593274 1\n C C2 1 0.03363724 0.74208131 0.41564489 1\n C C3 1 0.16337226 0.32020727 0.98536102 1\n C C4 1 0.73673133 0.03871083 -0.08441984 1\n C C5 1 0.88531939 0.39059506 0.88272966 1\n C C6 1 0.04870982 0.05378140 0.50212050 1\n C C7 1 0.38537289 0.89047105 -0.05208180 1\n C C8 1 0.72218141 0.72736928 0.32879578 1\n C C9 1 0.31539226 0.16883408 0.63732390 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45623000\n_cell_length_b 3.66394000\n_cell_length_c 6.44302000\n_cell_angle_alpha 97.14805000\n_cell_angle_beta 79.00096000\n_cell_angle_gamma 70.39240000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.49278688\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61841870 0.70456868 0.01253389 1\n C C1 1 0.04352546 0.22575208 0.63920362 1\n C C2 1 0.22072297 0.82201874 0.68823899 1\n C C3 1 0.76096853 0.65550851 0.77520186 1\n C C4 1 0.62735539 0.20603979 0.49285527 1\n C C5 1 0.91038826 0.77607815 0.35694409 1\n C C6 1 1.05204167 -0.27070729 0.11968595 1\n C C7 1 0.45013592 0.60998494 0.44434592 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30391000\n_cell_length_b 3.30080000\n_cell_length_c 4.82662000\n_cell_angle_alpha 77.38414000\n_cell_angle_beta 102.60693000\n_cell_angle_gamma 100.17781000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.66541065\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42912436 0.56064194 0.53341270 1\n C C1 1 0.06682171 0.19836642 0.53339331 1\n C C2 1 0.74617965 0.24294372 0.70767297 1\n C C3 1 0.38423918 0.88130619 0.70768301 1\n C C4 1 0.52248866 0.77838920 0.24851089 1\n C C5 1 0.96460952 0.33616030 0.99263710 1\n C C6 1 0.29077920 0.66240018 -0.00734916 1\n C C7 1 0.84853813 0.10469964 0.24853429 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32980000\n_cell_length_b 4.31954000\n_cell_length_c 4.89181000\n_cell_angle_alpha 114.93473000\n_cell_angle_beta 103.69607000\n_cell_angle_gamma 88.49185000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.77128671\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12001847 -0.04777928 0.28368455 1\n C C1 1 0.77462884 0.19257054 0.75322182 1\n C C2 1 0.26503525 0.69382453 0.42062535 1\n C C3 1 0.47797209 1.08176468 0.21781364 1\n C C4 1 0.60939110 0.45370813 -0.04914718 1\n C C5 1 0.67919089 0.83662187 0.70081392 1\n C C6 1 0.90660797 0.56454910 0.48677725 1\n C C7 1 0.88323732 0.21911467 0.49327088 1\n C C8 1 0.70576705 0.81003719 1.00369136 1\n C C9 1 0.50268283 0.42758418 0.21162191 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47642000\n_cell_length_b 4.25658000\n_cell_length_c 5.94393000\n_cell_angle_alpha 69.02484000\n_cell_angle_beta 77.96583000\n_cell_angle_gamma 89.99869000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.02662700\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41866227 0.16823226 0.99343104 1\n C C1 1 0.27662045 0.02439388 0.27880309 1\n C C2 1 0.61049497 0.16420887 0.61597056 1\n C C3 1 0.11039700 0.37971448 0.61591117 1\n C C4 1 0.47912177 0.90154056 -0.12736331 1\n C C5 1 0.73547411 0.15809147 0.35938746 1\n C C6 1 1.23931801 0.64658910 0.35011720 1\n C C7 1 -0.06037488 0.68749954 0.95312684 1\n C C8 1 -0.20474130 0.54604291 0.23846452 1\n C C9 1 0.97377959 0.38059734 0.88211653 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46452000\n_cell_length_b 3.38676000\n_cell_length_c 5.82178000\n_cell_angle_alpha 100.87511000\n_cell_angle_beta 115.05356000\n_cell_angle_gamma 68.65890000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.96797811\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75696241 0.48977306 0.93288522 1\n C C1 1 0.90840347 0.03905373 0.85982026 1\n C C2 1 0.37509075 0.85539524 0.73437717 1\n C C3 1 1.13427451 0.78623174 0.45904145 1\n C C4 1 0.52843197 -0.25255177 0.33338323 1\n C C5 1 0.28915298 0.67519550 0.05818397 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43128000\n_cell_length_b 4.20584000\n_cell_length_c 5.86533000\n_cell_angle_alpha 73.67423000\n_cell_angle_beta 86.13800000\n_cell_angle_gamma 90.08882000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.41421377\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38786615 0.27672947 0.12261897 1\n C C1 1 0.81577433 0.94043718 0.62341152 1\n C C2 1 0.31598854 0.77394514 0.62172703 1\n C C3 1 0.81615787 0.27385246 0.62194065 1\n C C4 1 0.88765194 0.44322151 0.12430346 1\n C C5 1 0.31600906 0.44053504 0.62315468 1\n C C6 1 0.88763142 0.77663161 1.12287581 1\n C C7 1 0.38748261 -0.05668581 1.12408984 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48915000\n_cell_length_b 5.19492000\n_cell_length_c 5.97119000\n_cell_angle_alpha 78.31640000\n_cell_angle_beta 65.31194000\n_cell_angle_gamma 90.00619000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.38994603\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01787235 0.27957436 0.40852948 1\n C C1 1 0.68373793 -0.00431407 0.24343539 1\n C C2 1 0.03719887 0.00852460 0.38958942 1\n C C3 1 0.82202624 0.76898171 0.60146415 1\n C C4 1 0.70250086 0.72487139 0.22427201 1\n C C5 1 1.37507068 0.32687775 0.55078629 1\n C C6 1 0.59899075 0.90478772 0.82747402 1\n C C7 1 0.12055101 0.09908549 0.80538957 1\n C C8 1 0.32665726 0.38128214 0.09834716 1\n C C9 1 0.34492444 0.67738328 0.08209300 1\n C C10 1 0.89311184 0.23509382 0.03174622 1\n C C11 1 0.38832207 0.62256742 0.53507590 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27328000\n_cell_length_b 4.23553000\n_cell_length_c 4.24544000\n_cell_angle_alpha 59.92905000\n_cell_angle_beta 49.60006000\n_cell_angle_gamma 55.99595000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25189951\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05374941 0.72815952 0.94993434 1\n C C1 1 1.11531162 0.34665607 0.21741091 1\n C C2 1 0.28384098 0.96503743 0.16272068 1\n C C3 1 0.11486046 0.34662407 0.53418678 1\n C C4 1 0.94633110 0.72824271 0.58887701 1\n C C5 1 0.28392149 -0.03487938 0.80166334 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43207000\n_cell_length_b 4.01109000\n_cell_length_c 4.63245000\n_cell_angle_alpha 95.75066000\n_cell_angle_beta 74.25845000\n_cell_angle_gamma 89.64240000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.25058167\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07923016 -0.02288810 0.03485687 1\n C C1 1 0.52520218 -0.13516767 0.14542503 1\n C C2 1 0.41348928 0.64150757 0.36656572 1\n C C3 1 0.85934313 0.52929787 0.47733534 1\n C C4 1 0.74578534 0.31118584 0.70195511 1\n C C5 1 0.19197330 0.19797150 0.81213073 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51245000\n_cell_length_b 4.11017000\n_cell_length_c 4.18981000\n_cell_angle_alpha 60.60161000\n_cell_angle_beta 72.39106000\n_cell_angle_gamma 89.97952000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.35234135\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63896476 0.42860692 0.63136268 1\n C C1 1 0.44920328 0.08425383 0.01935634 1\n C C2 1 0.83531641 0.47268130 0.24308211 1\n C C3 1 0.63928949 0.75953726 0.63112447 1\n C C4 1 0.83548444 0.10393050 0.24264500 1\n C C5 1 0.44943373 0.71579139 0.01896220 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47502000\n_cell_length_b 4.88695000\n_cell_length_c 6.92761000\n_cell_angle_alpha 90.07317000\n_cell_angle_beta 79.70225000\n_cell_angle_gamma 59.55974000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.65999052\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05878791 0.18470012 0.74757892 1\n C C1 1 0.08497157 0.30997076 0.44292475 1\n C C2 1 0.09148642 0.66712802 0.71823100 1\n C C3 1 -0.20829286 0.74353783 0.16387385 1\n C C4 1 0.07367598 0.93090033 0.22489570 1\n C C5 1 0.77636331 1.00590291 0.67053613 1\n C C6 1 0.80091760 0.09230163 0.44563523 1\n C C7 1 0.06366120 0.58108572 0.94333021 1\n C C8 1 -0.21296808 0.25584345 0.14757943 1\n C C9 1 0.78070380 0.36322111 -0.05385328 1\n C C10 1 1.07692876 0.41871738 0.24176310 1\n C C11 1 0.80819580 0.48833214 0.64146585 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.18416000\n_cell_length_b 4.40042000\n_cell_length_c 4.88296000\n_cell_angle_alpha 96.94492000\n_cell_angle_beta 89.66262000\n_cell_angle_gamma 94.91457000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 88.91669352\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16506343 0.73470196 0.93865336 1\n C C1 1 0.82320734 0.59375648 0.89964958 1\n C C2 1 0.18728952 0.25712251 0.69034022 1\n C C3 1 0.30749604 0.61098153 0.68505797 1\n C C4 1 0.80234400 0.78384940 0.43863504 1\n C C5 1 0.64441750 1.07309567 0.90439699 1\n C C6 1 0.67009003 0.56115776 1.18522861 1\n C C7 1 0.17308542 0.76425437 0.43795658 1\n C C8 1 0.29910363 0.58261019 0.18594826 1\n C C9 1 0.67737126 0.11275499 0.43594203 1\n C C10 1 0.64848264 0.75269561 0.72436597 1\n C C11 1 0.79276899 0.23185343 0.18729995 1\n C C12 1 0.82506944 0.27250602 0.71866457 1\n C C13 1 0.28186357 1.08964065 0.93316966 1\n C C14 1 0.30509866 0.09502188 0.43436751 1\n C C15 1 0.16670162 0.25187945 0.18953410 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46300000\n_cell_length_b 4.43492000\n_cell_length_c 4.80917000\n_cell_angle_alpha 86.86399000\n_cell_angle_beta 94.06494000\n_cell_angle_gamma 92.40880000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.50972644\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45776959 0.50677171 0.01590974 1\n C C1 1 0.07580584 0.13038673 0.16895843 1\n C C2 1 0.82577264 -0.12783180 0.66926649 1\n C C3 1 0.83837116 0.88328492 0.16995008 1\n C C4 1 0.45774190 0.50575050 0.32209111 1\n C C5 1 0.70100762 0.74704607 0.41592809 1\n C C6 1 0.70065802 0.74633574 0.92447217 1\n C C7 1 0.08402802 0.14179341 0.66934852 1\n C C8 1 1.21112343 0.26758623 0.41429042 1\n C C9 1 0.21041420 0.26675699 0.92248013 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48764000\n_cell_length_b 4.30521000\n_cell_length_c 4.30414000\n_cell_angle_alpha 99.59007000\n_cell_angle_beta 90.00698000\n_cell_angle_gamma 106.79192000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.45737170\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67918929 0.85003761 0.22274786 1\n C C1 1 0.42981020 0.35010075 0.47264922 1\n C C2 1 -0.13294889 0.22489148 0.28482238 1\n C C3 1 1.17949554 0.85014857 0.72273708 1\n C C4 1 0.11654127 0.72492072 0.03490626 1\n C C5 1 0.61683186 0.72493790 0.53494080 1\n C C6 1 0.36695425 0.22495230 0.78479450 1\n C C7 1 0.92955238 0.35008248 -0.02737840 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50850000\n_cell_length_b 5.24762000\n_cell_length_c 6.50552000\n_cell_angle_alpha 101.46418000\n_cell_angle_beta 90.25024000\n_cell_angle_gamma 90.06799000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.92691539\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53773314 0.02842064 0.67667283 1\n C C1 1 0.53707562 0.24633487 0.56173976 1\n C C2 1 0.53983371 0.42798306 0.23570157 1\n C C3 1 0.54084749 0.46023616 0.00944151 1\n C C4 1 0.03767600 0.66054591 0.67096483 1\n C C5 1 0.53666768 0.75314884 0.57665292 1\n C C6 1 1.03810228 0.38775131 0.66220060 1\n C C7 1 0.53767757 0.69340991 0.35046450 1\n C C8 1 0.03964066 0.82093561 0.89776647 1\n C C9 1 0.54076636 0.76311513 1.01178357 1\n C C10 1 0.54005434 0.90351741 0.23680277 1\n C C11 1 0.53830753 1.18638778 0.32369604 1\n C C12 1 1.03964263 0.34598992 0.89410215 1\n C C13 1 0.03932219 0.06390186 0.81693758 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35486000\n_cell_length_b 3.45713000\n_cell_length_c 5.36893000\n_cell_angle_alpha 98.05145000\n_cell_angle_beta 98.73882000\n_cell_angle_gamma 90.82668000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.89971036\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31233176 0.34383023 0.81364757 1\n C C1 1 0.21528323 -0.08466069 0.11961144 1\n C C2 1 0.87971116 0.21956423 0.11641607 1\n C C3 1 0.45066409 0.96157517 0.39244292 1\n C C4 1 0.63253450 0.65434112 0.80643763 1\n C C5 1 1.01343203 0.53685385 0.97264077 1\n C C6 1 0.79653482 0.28107388 0.38911620 1\n C C7 1 0.20919552 0.27456195 0.52998969 1\n C C8 1 0.50642502 1.02853534 -0.05127711 1\n C C9 1 0.53906608 0.59856422 0.50768512 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50983000\n_cell_length_b 5.30455000\n_cell_length_c 4.97865000\n_cell_angle_alpha 84.46794000\n_cell_angle_beta 90.06855000\n_cell_angle_gamma 61.76474000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.04162153\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94603596 0.06024643 0.20113188 1\n C C1 1 0.49818116 1.00804105 0.03926290 1\n C C2 1 0.77541208 0.73222810 -0.09693533 1\n C C3 1 0.45608276 0.55112722 0.94540704 1\n C C4 1 0.47386502 0.52900083 0.44145940 1\n C C5 1 0.60074572 0.90412215 0.62173428 1\n C C6 1 0.64316035 0.36044807 0.71670807 1\n C C7 1 0.62207673 0.38321105 0.22090187 1\n C C8 1 0.15205708 -0.14833388 0.45993718 1\n C C9 1 0.32446014 0.17913158 0.75862162 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46825000\n_cell_length_b 3.34794000\n_cell_length_c 5.97091000\n_cell_angle_alpha 59.87827000\n_cell_angle_beta 78.93947000\n_cell_angle_gamma 69.23078000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.89872822\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04508347 0.97526828 0.95049078 1\n C C1 1 1.37145523 0.26728467 0.82610663 1\n C C2 1 0.79923922 0.80411568 0.43070210 1\n C C3 1 0.17649146 0.45591268 0.03302297 1\n C C4 1 0.75984882 0.16242292 0.15783638 1\n C C5 1 0.32886794 0.62199427 0.55183933 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47570000\n_cell_length_b 3.69356000\n_cell_length_c 6.45170000\n_cell_angle_alpha 68.27432000\n_cell_angle_beta 78.93006000\n_cell_angle_gamma 89.95309000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.62500569\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20170634 0.25660096 0.84487741 1\n C C1 1 0.86175747 0.14257551 0.52615536 1\n C C2 1 0.86224596 0.73665762 0.52468366 1\n C C3 1 0.52534515 0.14790925 0.19735237 1\n C C4 1 0.76929989 0.31994971 0.71042542 1\n C C5 1 0.43419996 0.32889624 0.38100686 1\n C C6 1 1.09215645 0.20746106 0.06334410 1\n C C7 1 0.43301117 0.73487616 0.38339383 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47917000\n_cell_length_b 4.83149000\n_cell_length_c 4.88586000\n_cell_angle_alpha 44.59889000\n_cell_angle_beta 59.69465000\n_cell_angle_gamma 75.32955000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.92923158\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03699866 0.74837725 0.19887976 1\n C C1 1 0.07824555 0.83611680 0.61527850 1\n C C2 1 0.32777499 0.59134770 0.48672867 1\n C C3 1 0.36957100 0.67944660 0.90292067 1\n C C4 1 1.05351728 0.19400274 -0.04010349 1\n C C5 1 0.35351442 0.23377181 0.14218918 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60651000\n_cell_length_b 4.19858000\n_cell_length_c 6.45549000\n_cell_angle_alpha 109.35611000\n_cell_angle_beta 113.79982000\n_cell_angle_gamma 80.35887000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.93868917\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02973296 0.23086898 0.58305821 1\n C C1 1 -0.11070376 0.43486961 0.97384109 1\n C C2 1 0.75930394 0.64341004 0.35115289 1\n C C3 1 0.81230059 -0.02972812 0.35385182 1\n C C4 1 0.73466615 0.03962062 0.14520985 1\n C C5 1 0.68355833 0.17907083 0.73160383 1\n C C6 1 0.59862415 0.38277317 0.12113173 1\n C C7 1 0.83367957 0.57334505 0.55883614 1\n C C8 1 0.78673978 0.77833063 -0.04634760 1\n C C9 1 0.78252231 0.83504110 0.75061264 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43751000\n_cell_length_b 6.52578000\n_cell_length_c 4.23373000\n_cell_angle_alpha 84.29046000\n_cell_angle_beta 90.00477000\n_cell_angle_gamma 100.76603000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.81908749\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46893727 0.74878186 0.80771447 1\n C C1 1 0.13089553 0.07433243 0.85358439 1\n C C2 1 0.50717190 0.81432522 0.46036939 1\n C C3 1 0.30366275 0.43791028 0.21008974 1\n C C4 1 0.01764092 0.84372713 -0.05264598 1\n C C5 1 1.01297691 0.82737425 0.30099257 1\n C C6 1 0.79363141 0.40789046 0.72282265 1\n C C7 1 0.79758023 0.42426122 0.36929102 1\n C C8 1 0.34148017 0.50289385 -0.13758127 1\n C C9 1 0.68196231 0.17704112 0.81552863 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48122000\n_cell_length_b 3.68788000\n_cell_length_c 4.22116000\n_cell_angle_alpha 74.93600000\n_cell_angle_beta 89.92652000\n_cell_angle_gamma 70.34112000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96614278\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12935899 0.36493367 0.42817021 1\n C C1 1 0.70804536 1.20786852 0.29766731 1\n C C2 1 0.90476936 -0.18887032 0.22126553 1\n C C3 1 0.58507725 0.45499709 -0.07661326 1\n C C4 1 0.16332276 0.29830477 0.79267996 1\n C C5 1 0.38466818 0.85213368 0.99934145 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.63979000\n_cell_length_b 4.20337000\n_cell_length_c 5.61344000\n_cell_angle_alpha 56.67810000\n_cell_angle_beta 58.85778000\n_cell_angle_gamma 59.13706000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.20308965\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18919630 0.63355194 0.16124819 1\n C C1 1 0.97265317 0.03735820 -0.02994883 1\n C C2 1 0.12896075 0.19170164 0.66004490 1\n C C3 1 0.53084438 0.97887352 0.46934047 1\n C C4 1 0.57270297 0.25032910 0.16052666 1\n C C5 1 0.91492022 0.59555609 0.46862641 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48311000\n_cell_length_b 4.48109000\n_cell_length_c 6.28488000\n_cell_angle_alpha 80.38775000\n_cell_angle_beta 78.62701000\n_cell_angle_gamma 89.98460000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.55780029\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11147715 0.45118869 0.70810795 1\n C C1 1 0.11527302 1.09322042 0.70064509 1\n C C2 1 0.99822539 0.90292391 0.93185755 1\n C C3 1 0.99711865 0.52895543 0.93418204 1\n C C4 1 0.43870598 1.00210966 0.05198126 1\n C C5 1 0.76103829 0.35769593 0.40624206 1\n C C6 1 0.67596869 0.54790693 0.57820174 1\n C C7 1 0.44008146 0.37624104 0.04964655 1\n C C8 1 0.32509542 0.45376820 0.27596062 1\n C C9 1 0.31958264 0.81264762 0.28406663 1\n C C10 1 0.68587899 0.07046259 0.55919222 1\n C C11 1 -0.25015578 0.83509616 0.42518550 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42927000\n_cell_length_b 3.58360000\n_cell_length_c 6.06456000\n_cell_angle_alpha 85.65010000\n_cell_angle_beta 109.41316000\n_cell_angle_gamma 116.92660000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.21998766\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74742945 0.90420499 0.30053526 1\n C C1 1 1.08035832 0.12653618 0.52236957 1\n C C2 1 0.08035832 -0.20679716 0.18903624 1\n C C3 1 0.08035832 0.45986951 0.85570291 1\n C C4 1 0.74742945 0.57087166 0.96720193 1\n C C5 1 0.74742945 0.23753832 0.63386859 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44944000\n_cell_length_b 5.22495000\n_cell_length_c 5.43725000\n_cell_angle_alpha 115.12144000\n_cell_angle_beta 89.97033000\n_cell_angle_gamma 90.02377000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.00477506\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00518279 0.33584832 0.31778252 1\n C C1 1 0.50568874 0.31107293 -0.09312255 1\n C C2 1 1.00604093 0.54625555 0.63162235 1\n C C3 1 0.50587338 0.40239253 0.67435150 1\n C C4 1 1.00440914 0.74026951 0.19680259 1\n C C5 1 0.50496037 0.19094925 0.35894506 1\n C C6 1 0.50438209 0.88196500 0.24769322 1\n C C7 1 1.00655066 -0.14412510 0.74148298 1\n C C8 1 1.00531631 0.42638224 0.08465473 1\n C C9 1 0.50643650 -0.00252564 0.79402560 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48150000\n_cell_length_b 3.68797000\n_cell_length_c 4.21906000\n_cell_angle_alpha 75.02513000\n_cell_angle_beta 89.91534000\n_cell_angle_gamma 70.36626000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97674715\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56704994 0.37298658 0.68816640 1\n C C1 1 0.02623932 0.46199067 0.18377363 1\n C C2 1 0.60487511 0.30472711 0.05332490 1\n C C3 1 0.14540221 0.21625215 0.55751552 1\n C C4 1 0.34677585 0.81855428 0.48164546 1\n C C5 1 0.82639097 0.85935852 0.25964390 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04708000\n_cell_length_b 4.21047000\n_cell_length_c 4.84870000\n_cell_angle_alpha 52.72322000\n_cell_angle_beta 59.13314000\n_cell_angle_gamma 74.09278000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.42712515\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79866223 0.29463467 0.06701322 1\n C C1 1 0.46791035 0.29271256 0.40173702 1\n C C2 1 0.13454428 0.62603011 0.73509467 1\n C C3 1 0.80125644 0.95935600 0.06840188 1\n C C4 1 0.46533062 0.62797503 0.40035281 1\n C C5 1 1.13203938 0.96130182 0.73367470 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55977000\n_cell_length_b 2.47830000\n_cell_length_c 5.73383000\n_cell_angle_alpha 102.43272000\n_cell_angle_beta 90.27156000\n_cell_angle_gamma 89.97734000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.52130600\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79713486 0.31862967 0.38519032 1\n C C1 1 0.79520332 0.74184382 0.23066276 1\n C C2 1 0.29376575 0.66394762 0.07025646 1\n C C3 1 0.29950034 0.97117303 0.69026108 1\n C C4 1 0.29946024 0.39855546 0.54608408 1\n C C5 1 0.29454799 0.09183230 0.92525170 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49394000\n_cell_length_b 3.42022000\n_cell_length_c 7.19723000\n_cell_angle_alpha 61.88068000\n_cell_angle_beta 80.03367000\n_cell_angle_gamma 68.63469000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.42388707\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78402318 0.31494824 0.30912766 1\n C C1 1 0.00675329 0.36729956 0.80956264 1\n C C2 1 0.78387518 -0.13095172 0.75410174 1\n C C3 1 0.59480025 0.85410420 0.14872805 1\n C C4 1 0.59357281 1.08884654 0.91479189 1\n C C5 1 1.00785965 0.92214206 0.25450089 1\n C C6 1 0.19728727 0.38312058 0.41470593 1\n C C7 1 0.19753458 0.14770913 0.64870480 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46610000\n_cell_length_b 6.89439000\n_cell_length_c 7.79108000\n_cell_angle_alpha 69.03825000\n_cell_angle_beta 92.63447000\n_cell_angle_gamma 88.16507000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 123.40165002\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09610085 0.92980483 0.27364731 1\n C C1 1 0.59290547 0.55483705 0.25505400 1\n C C2 1 0.49227131 0.39504380 0.74943685 1\n C C3 1 0.30326191 0.92599254 0.77203868 1\n C C4 1 1.05856456 0.37145496 0.09287750 1\n C C5 1 0.97719696 0.52814951 0.75841555 1\n C C6 1 0.54107356 0.59498626 0.42630479 1\n C C7 1 0.80530560 0.93295458 0.64803547 1\n C C8 1 0.04033725 0.72511357 0.43374055 1\n C C9 1 1.23257013 0.25372580 0.44895187 1\n C C10 1 0.61499326 0.05588753 0.27859693 1\n C C11 1 0.73001510 0.11856911 0.45918527 1\n C C12 1 0.58089173 0.18933027 0.91276883 1\n C C13 1 0.46512699 0.70624654 -0.07400436 1\n C C14 1 -0.43329146 0.75318227 0.09671181 1\n C C15 1 1.11459242 0.05986474 0.91317202 1\n C C16 1 0.07709781 0.87897036 0.09698757 1\n C C17 1 0.94732817 0.73680906 0.61217761 1\n C C18 1 0.57571795 0.24477462 0.09327925 1\n C C19 1 0.44757794 0.38530339 0.56424786 1\n C C20 1 0.11602336 0.42783027 0.26075762 1\n C C21 1 0.98718742 0.57546564 0.92901083 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44874000\n_cell_length_b 4.87195000\n_cell_length_c 6.07299000\n_cell_angle_alpha 98.65912000\n_cell_angle_beta 107.60795000\n_cell_angle_gamma 95.44777000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.50704488\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82603521 0.72305303 0.55856328 1\n C C1 1 0.54989757 0.55541669 0.89158955 1\n C C2 1 0.72947622 0.44197543 0.39586963 1\n C C3 1 -0.11449097 0.08071255 0.10808199 1\n C C4 1 0.60713865 0.04859955 0.85701773 1\n C C5 1 1.11881067 0.39596598 0.23597982 1\n C C6 1 0.83471115 0.23571343 0.56356269 1\n C C7 1 0.16135490 0.60155216 1.05203106 1\n C C8 1 0.67739696 0.94880817 0.43100753 1\n C C9 1 0.44804246 0.76174139 0.72399193 1\n C C10 1 0.45590005 0.27427049 0.72893392 1\n C C11 1 0.39370254 0.91629573 0.18064127 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43279000\n_cell_length_b 4.85758000\n_cell_length_c 5.78231000\n_cell_angle_alpha 79.39642000\n_cell_angle_beta 89.04797000\n_cell_angle_gamma 59.80680000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.82109251\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24373716 0.31713102 0.26634007 1\n C C1 1 0.90994769 0.65026909 0.26554252 1\n C C2 1 0.38514566 0.66194100 0.76160752 1\n C C3 1 -0.09005629 1.15026295 0.26555689 1\n C C4 1 0.71907478 0.32872666 0.76236764 1\n C C5 1 0.38519332 0.16189737 0.76157841 1\n C C6 1 0.24371220 0.81716342 0.26634355 1\n C C7 1 0.71901987 0.82878088 0.76233310 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47537000\n_cell_length_b 4.91708000\n_cell_length_c 4.47006000\n_cell_angle_alpha 53.59425000\n_cell_angle_beta 56.39796000\n_cell_angle_gamma 59.78195000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.20976148\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64335018 0.15780257 0.49714224 1\n C C1 1 0.20829916 0.43593598 0.65399690 1\n C C2 1 0.75501604 0.93523467 0.10813961 1\n C C3 1 0.59831767 0.65711973 0.54295401 1\n C C4 1 0.05160078 0.15782104 0.08881130 1\n C C5 1 0.16326664 0.93525314 0.69980867 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43118000\n_cell_length_b 4.36372000\n_cell_length_c 4.40111000\n_cell_angle_alpha 94.06419000\n_cell_angle_beta 88.01675000\n_cell_angle_gamma 71.63628000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.12215241\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.17221675 0.10518015 0.33617663 1\n C C1 1 0.28368746 0.88312273 0.55782781 1\n C C2 1 0.50584761 0.43824201 0.00252844 1\n C C3 1 0.95052352 0.54967524 -0.10902406 1\n C C4 1 0.61687015 0.21653742 0.22452132 1\n C C5 1 -0.16096409 0.77171515 0.66935915 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46500000\n_cell_length_b 6.45274000\n_cell_length_c 8.20628000\n_cell_angle_alpha 123.92868000\n_cell_angle_beta 116.85609000\n_cell_angle_gamma 78.98215000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 96.29404710\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52613575 1.01727554 0.10104698 1\n C C1 1 0.40285944 0.26211327 0.10235524 1\n C C2 1 0.45282472 0.96879594 0.36900004 1\n C C3 1 0.33342583 0.48577856 0.79619774 1\n C C4 1 0.46316561 0.29093832 0.81894325 1\n C C5 1 0.60551566 0.81242393 0.75275869 1\n C C6 1 0.83196892 1.01132731 0.30252345 1\n C C7 1 0.06130729 0.18632493 0.84959708 1\n C C8 1 1.10099461 0.64297331 0.35968113 1\n C C9 1 -0.01519440 0.40310067 0.20380207 1\n C C10 1 0.78387564 0.61050685 0.80450672 1\n C C11 1 0.66343752 0.79464104 0.45185919 1\n C C12 1 0.97841858 -0.10408058 0.69638861 1\n C C13 1 -0.09175480 0.88809319 0.97987223 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43469000\n_cell_length_b 4.89749000\n_cell_length_c 4.85869000\n_cell_angle_alpha 113.79177000\n_cell_angle_beta 82.40362000\n_cell_angle_gamma 115.44362000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.44706635\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49266797 0.21302232 0.91888119 1\n C C1 1 0.75717734 0.25468304 0.65409638 1\n C C2 1 0.54247835 0.25802312 0.40520158 1\n C C3 1 0.13016131 0.93379604 0.27263166 1\n C C4 1 0.82298832 0.91772208 0.05778856 1\n C C5 1 0.86520648 0.89152256 0.53658437 1\n C C6 1 0.79962325 0.22905167 0.13424290 1\n C C7 1 0.46099100 0.56016584 0.46464752 1\n C C8 1 0.27171044 0.44239269 0.14381023 1\n C C9 1 0.35088359 0.70401728 0.04856631 1\n C C10 1 1.08002876 0.88862923 0.78590428 1\n C C11 1 0.16193799 0.58680763 0.72762592 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48732000\n_cell_length_b 2.48761000\n_cell_length_c 7.45917000\n_cell_angle_alpha 59.97365000\n_cell_angle_beta 59.97130000\n_cell_angle_gamma 59.97308000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61521855\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86775382 0.36167507 0.31627060 1\n C C1 1 0.61674707 1.11267554 0.56635122 1\n C C2 1 0.28430266 0.77822391 0.23302150 1\n C C3 1 0.53330219 0.02923066 0.98294088 1\n C C4 1 0.20007010 0.69619528 0.64960313 1\n C C5 1 -0.05021755 0.44590763 0.89968897 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.65618000\n_cell_length_b 3.75561000\n_cell_length_c 5.86866000\n_cell_angle_alpha 105.82402000\n_cell_angle_beta 121.91177000\n_cell_angle_gamma 103.09591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.67986937\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88272747 0.81732672 1.05613102 1\n C C1 1 0.72028868 0.07082524 0.14334348 1\n C C2 1 0.95131846 0.48994551 0.40052636 1\n C C3 1 0.88271163 0.09290014 0.67590509 1\n C C4 1 0.34380385 0.48720239 0.23908075 1\n C C5 1 0.34427944 0.88030679 0.95787135 1\n C C6 1 0.18142994 0.74076513 0.32654713 1\n C C7 1 0.53200805 0.43171798 0.78214264 1\n C C8 1 0.18141045 0.46500319 0.70656427 1\n C C9 1 0.11288393 0.06806191 0.98203018 1\n C C10 1 0.53221911 1.12621891 0.60055099 1\n C C11 1 0.71978849 0.67740969 0.42480574 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42908000\n_cell_length_b 5.05193000\n_cell_length_c 5.27327000\n_cell_angle_alpha 71.09821000\n_cell_angle_beta 95.66361000\n_cell_angle_gamma 84.03724000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.28515207\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26805624 1.01965700 0.37721293 1\n C C1 1 -0.23289363 0.27193845 0.62455261 1\n C C2 1 0.26422227 0.52792012 0.86946706 1\n C C3 1 0.76479508 0.44294779 0.78705353 1\n C C4 1 0.76768913 0.93724888 0.29316889 1\n C C5 1 0.26512997 0.69300020 1.03789074 1\n C C6 1 1.26779706 0.18695890 0.54274807 1\n C C7 1 0.76614498 0.77414967 1.12364668 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45051000\n_cell_length_b 4.38580000\n_cell_length_c 5.68591000\n_cell_angle_alpha 82.44780000\n_cell_angle_beta 89.95881000\n_cell_angle_gamma 106.20940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.12585545\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21571532 -0.01801084 0.52525113 1\n C C1 1 -0.03530839 0.47895618 0.33898139 1\n C C2 1 0.71086681 0.96958291 1.15236741 1\n C C3 1 0.88715207 0.32562421 0.12332089 1\n C C4 1 1.14565824 0.84032060 0.29091090 1\n C C5 1 -0.09167677 0.36889286 0.85747762 1\n C C6 1 0.73101009 0.01284079 0.88669558 1\n C C7 1 0.47261165 0.49784887 0.71905279 1\n C C8 1 0.65352329 0.85876066 0.67203484 1\n C C9 1 0.40240907 0.35565346 0.48492605 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46847000\n_cell_length_b 3.36638000\n_cell_length_c 5.21342000\n_cell_angle_alpha 88.41659000\n_cell_angle_beta 89.76535000\n_cell_angle_gamma 68.90711000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.40360413\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.20682519 0.72194939 0.06254574 1\n C C1 1 0.42200923 0.46713717 0.66382771 1\n C C2 1 0.38060170 0.54668399 0.93822091 1\n C C3 1 -0.05185766 0.41438198 0.54045296 1\n C C4 1 0.98297812 0.33935995 0.26567394 1\n C C5 1 0.56982639 0.16430861 0.14132405 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42747000\n_cell_length_b 5.90484000\n_cell_length_c 5.45060000\n_cell_angle_alpha 111.23970000\n_cell_angle_beta 104.28768000\n_cell_angle_gamma 65.44629000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.80763816\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24878221 0.30866819 0.30621539 1\n C C1 1 0.11375999 0.22525056 0.80912344 1\n C C2 1 0.72313051 0.09123633 0.76630342 1\n C C3 1 0.94533167 0.80405301 0.64862564 1\n C C4 1 0.63817159 0.44272990 0.34824908 1\n C C5 1 0.14290485 0.90704730 0.28636533 1\n C C6 1 0.50774218 0.03763275 0.27900187 1\n C C7 1 0.41818607 0.72964015 0.46587013 1\n C C8 1 0.85575550 0.49625176 0.83597525 1\n C C9 1 0.21948954 0.62691415 0.82829206 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.50879000\n_cell_length_b 4.72151000\n_cell_length_c 4.35505000\n_cell_angle_alpha 85.21598000\n_cell_angle_beta 99.45407000\n_cell_angle_gamma 98.21050000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.34420833\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80848007 0.81840894 0.48346185 1\n C C1 1 0.50783760 0.64758394 0.38708006 1\n C C2 1 0.04824313 0.34099888 0.55777747 1\n C C3 1 0.50865399 0.37227775 0.89318247 1\n C C4 1 0.01371602 0.16261791 0.87106352 1\n C C5 1 0.80382115 0.15213518 0.35086080 1\n C C6 1 0.45429245 0.12700320 0.36709096 1\n C C7 1 0.01752490 0.62552721 0.07138583 1\n C C8 1 0.34364012 0.11878224 1.01457865 1\n C C9 1 0.37822950 0.61854593 0.04379541 1\n C C10 1 0.83385841 -0.13379012 0.83615607 1\n C C11 1 0.39634486 0.36548687 0.53988740 1\n C C12 1 0.34427506 0.84572011 0.52086660 1\n C C13 1 0.04338709 0.67480795 0.42426957 1\n C C14 1 -0.16157569 0.32872579 0.03683445 1\n C C15 1 0.47355064 0.87288662 -0.13629210 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50980000\n_cell_length_b 4.20714000\n_cell_length_c 4.20966000\n_cell_angle_alpha 119.94146000\n_cell_angle_beta 90.38960000\n_cell_angle_gamma 89.26197000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.51443616\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61831697 0.78344336 0.20220222 1\n C C1 1 0.61838053 0.45027893 0.86893830 1\n C C2 1 0.61838389 0.78361472 0.53560937 1\n C C3 1 0.61831117 0.11677490 0.86887014 1\n C C4 1 0.61837808 0.11694626 0.20227729 1\n C C5 1 0.61831453 0.45011069 0.53554122 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48097000\n_cell_length_b 6.38296000\n_cell_length_c 6.76508000\n_cell_angle_alpha 75.19696000\n_cell_angle_beta 100.56108000\n_cell_angle_gamma 101.20659000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 100.58712255\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53398824 0.23913265 0.65918440 1\n C C1 1 0.70416921 0.26975580 0.97323323 1\n C C2 1 1.12801049 0.12614085 0.96593012 1\n C C3 1 0.87324664 0.90735447 0.67090185 1\n C C4 1 0.77560183 -0.02626935 0.40739997 1\n C C5 1 0.53746515 0.53712822 0.37004910 1\n C C6 1 0.12153318 0.63167640 0.44394885 1\n C C7 1 0.35792671 0.78239438 0.76520351 1\n C C8 1 0.67756837 0.42837804 0.75954545 1\n C C9 1 0.45278458 0.29749900 0.43935902 1\n C C10 1 0.87068448 0.22435766 0.34808388 1\n C C11 1 1.01221092 0.11584582 0.73881472 1\n C C12 1 1.21448815 0.56709252 0.69571765 1\n C C13 1 0.47345853 0.77095633 0.01683819 1\n C C14 1 0.42180406 0.53496233 0.14233230 1\n C C15 1 0.06721346 0.88719059 1.08832000 1\n C C16 1 0.18812756 0.87173263 0.33559673 1\n C C17 1 0.84720912 0.39129478 0.13521034 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31990000\n_cell_length_b 3.41879000\n_cell_length_c 6.66936000\n_cell_angle_alpha 83.33040000\n_cell_angle_beta 83.20327000\n_cell_angle_gamma 92.67384000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.51672309\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15740269 0.39726432 0.48029400 1\n C C1 1 0.91910777 0.66085362 0.81906411 1\n C C2 1 0.65958015 0.90136996 0.46436027 1\n C C3 1 0.29111065 1.03228413 0.59566320 1\n C C4 1 0.71259663 0.41470351 1.00166378 1\n C C5 1 0.52506378 0.58498525 0.34353328 1\n C C6 1 0.36385131 0.06534539 1.01594733 1\n C C7 1 0.05555568 0.32482287 0.12798585 1\n C C8 1 -0.03617198 0.70767181 0.59241793 1\n C C9 1 0.41307490 0.65488066 0.12724527 1\n C C10 1 0.85544254 0.27410426 0.34529230 1\n C C11 1 0.21654949 -0.05185016 0.82522718 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34862000\n_cell_length_b 3.40531000\n_cell_length_c 4.58253000\n_cell_angle_alpha 89.17381000\n_cell_angle_beta 68.52986000\n_cell_angle_gamma 87.90453000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.59639376\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78939872 0.64868890 0.37576528 1\n C C1 1 0.56023400 0.80384541 0.17049478 1\n C C2 1 0.12604136 0.95871538 0.37554047 1\n C C3 1 0.14829404 0.94861787 0.69496803 1\n C C4 1 0.04750702 0.30383719 0.19436011 1\n C C5 1 0.82187912 0.13764052 0.98043576 1\n C C6 1 0.44662446 0.65975672 0.69512097 1\n C C7 1 0.48692637 0.47066701 -0.01933478 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36310000\n_cell_length_b 3.43774000\n_cell_length_c 10.54349000\n_cell_angle_alpha 89.99661000\n_cell_angle_beta 61.41446000\n_cell_angle_gamma 89.99841000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 107.03924411\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88881648 0.88138386 0.85369899 1\n C C1 1 0.66749235 0.70450467 0.67390370 1\n C C2 1 0.72760691 0.69301913 0.18507480 1\n C C3 1 0.20610763 0.53727739 1.08627729 1\n C C4 1 -0.33847522 0.69302644 0.33902947 1\n C C5 1 0.38894274 0.38212768 0.18503096 1\n C C6 1 0.18768818 0.53649177 0.76513972 1\n C C7 1 0.69089369 1.03628386 0.76299339 1\n C C8 1 0.99420182 0.38185588 0.33893900 1\n C C9 1 0.15513252 0.19288812 1.00735314 1\n C C10 1 0.90182080 0.86833572 0.51856149 1\n C C11 1 1.19214745 0.53666507 0.42964041 1\n C C12 1 0.22149092 0.19259717 0.85362016 1\n C C13 1 1.21577503 0.20497597 0.51869869 1\n C C14 1 -0.32323960 0.03740507 0.10587466 1\n C C15 1 0.69541101 1.03695047 0.42749255 1\n C C16 1 0.98160993 0.36796602 0.67407575 1\n C C17 1 0.49368786 -0.11780789 1.00732983 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30816000\n_cell_length_b 3.29079000\n_cell_length_c 4.82796000\n_cell_angle_alpha 77.71168000\n_cell_angle_beta 102.25594000\n_cell_angle_gamma 99.96630000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.73257471\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54756207 0.18099952 0.30980119 1\n C C1 1 0.22149941 0.85400950 0.30968132 1\n C C2 1 0.66330414 0.41238424 0.05427173 1\n C C3 1 0.76538745 0.27561256 0.59486897 1\n C C4 1 0.12923059 0.63898864 0.59490234 1\n C C5 1 0.98974635 0.73888865 0.05431140 1\n C C6 1 0.08196966 -0.03965796 0.76888673 1\n C C7 1 0.44478154 0.32337446 0.76867232 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.22628000\n_cell_length_b 3.63356000\n_cell_length_c 4.33233000\n_cell_angle_alpha 97.71772000\n_cell_angle_beta 102.21736000\n_cell_angle_gamma 112.54213000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.52016791\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09394640 0.71760613 0.55922581 1\n C C1 1 0.90304004 0.93237843 0.36860587 1\n C C2 1 0.09364268 0.33579669 0.55816425 1\n C C3 1 0.59075541 0.77403893 0.05868866 1\n C C4 1 0.39958618 0.98859985 0.86793070 1\n C C5 1 0.40052929 0.37076057 0.86916362 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46621000\n_cell_length_b 3.19816000\n_cell_length_c 7.83558000\n_cell_angle_alpha 109.54447000\n_cell_angle_beta 90.00904000\n_cell_angle_gamma 67.30877000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.13916892\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52163768 0.58187474 0.39180415 1\n C C1 1 -0.02500116 0.67035082 0.84235601 1\n C C2 1 0.42322328 0.77506271 0.94236324 1\n C C3 1 0.62608143 0.36963421 0.55066764 1\n C C4 1 0.77650850 1.07245119 0.23448537 1\n C C5 1 0.07228873 0.47617271 0.65822157 1\n C C6 1 0.88272712 0.85936636 0.39262053 1\n C C7 1 0.32831233 0.96747247 0.12685539 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42545000\n_cell_length_b 5.92808000\n_cell_length_c 4.16835000\n_cell_angle_alpha 72.02950000\n_cell_angle_beta 90.10235000\n_cell_angle_gamma 78.33556000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.69986081\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15202638 0.42480634 0.63512659 1\n C C1 1 0.17995351 0.37935443 0.00565492 1\n C C2 1 0.69529488 0.34671408 0.17441189 1\n C C3 1 0.47629177 0.77291442 0.25041436 1\n C C4 1 0.38672145 0.95066158 0.92849105 1\n C C5 1 0.71323675 0.30095833 0.54458834 1\n C C6 1 1.02359970 0.68005366 0.40256620 1\n C C7 1 -0.15963894 0.04511546 0.77716884 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48974000\n_cell_length_b 3.93841000\n_cell_length_c 5.94962000\n_cell_angle_alpha 97.65014000\n_cell_angle_beta 102.04318000\n_cell_angle_gamma 90.01637000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.52414323\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09960127 0.41830725 0.40424797 1\n C C1 1 0.76282399 0.18147999 0.73541283 1\n C C2 1 -0.00356993 1.11571956 0.20446428 1\n C C3 1 0.21707881 0.32568889 0.64446690 1\n C C4 1 0.73567766 0.81538660 0.68258083 1\n C C5 1 0.28191791 0.67159146 0.77423537 1\n C C6 1 0.50152894 0.88060148 0.21407211 1\n C C7 1 0.39884253 0.57823187 1.01422819 1\n C C8 1 0.89282736 0.33888596 1.00229990 1\n C C9 1 0.60546546 0.65727894 0.41589861 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48261000\n_cell_length_b 3.79298000\n_cell_length_c 5.96382000\n_cell_angle_alpha 95.45085000\n_cell_angle_beta 102.04129000\n_cell_angle_gamma 90.07000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.66150622\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44338574 0.88835878 0.65757785 1\n C C1 1 0.11076355 0.23169095 -0.00956164 1\n C C2 1 0.87465975 0.89367151 0.52127791 1\n C C3 1 0.10854961 0.64291164 -0.01496241 1\n C C4 1 0.19858174 -0.03761661 0.16570788 1\n C C5 1 -0.23307579 0.95750716 0.30216603 1\n C C6 1 0.53457028 0.20769803 0.83890152 1\n C C7 1 0.53215491 0.61881723 0.83293765 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43054000\n_cell_length_b 4.59483000\n_cell_length_c 3.95833000\n_cell_angle_alpha 82.97967000\n_cell_angle_beta 90.46446000\n_cell_angle_gamma 105.11025000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.34493605\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73143388 0.12232404 0.81633181 1\n C C1 1 0.17831404 0.01323832 0.70252890 1\n C C2 1 0.39906864 0.45720444 0.14749435 1\n C C3 1 0.06526677 0.79001654 0.48145402 1\n C C4 1 0.84591793 0.34807800 0.03366626 1\n C C5 1 0.51201494 0.68053427 0.36854346 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46312000\n_cell_length_b 4.24802000\n_cell_length_c 4.91140000\n_cell_angle_alpha 99.00086000\n_cell_angle_beta 120.09920000\n_cell_angle_gamma 89.99943000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.72743407\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42004270 0.29181552 0.99965583 1\n C C1 1 0.62757899 0.76417549 0.83839298 1\n C C2 1 -0.08641516 0.28925110 0.36334262 1\n C C3 1 0.15509881 0.64161885 0.48575093 1\n C C4 1 0.75688765 0.12839919 0.83629622 1\n C C5 1 0.51941365 0.77781036 0.35001914 1\n C C6 1 0.28682381 0.65559506 -0.00229989 1\n C C7 1 0.52248394 0.13021213 0.47223636 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.61846000\n_cell_length_b 4.21226000\n_cell_length_c 6.20817000\n_cell_angle_alpha 114.92786000\n_cell_angle_beta 107.55364000\n_cell_angle_gamma 89.52584000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.64140461\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44445488 0.47083695 0.70412173 1\n C C1 1 1.04411294 0.50883276 0.48844940 1\n C C2 1 0.28032904 0.66080686 0.19711615 1\n C C3 1 0.80100347 0.84730958 0.23257207 1\n C C4 1 0.96545777 0.65714981 0.73963162 1\n C C5 1 0.20096821 0.80920146 0.44807162 1\n C C6 1 0.44441925 0.11390177 0.70223871 1\n C C7 1 0.21917549 0.26678766 0.10906752 1\n C C8 1 -0.19879062 0.20386758 0.23450402 1\n C C9 1 0.02697529 1.05137846 0.82762966 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46923000\n_cell_length_b 5.21330000\n_cell_length_c 3.37180000\n_cell_angle_alpha 91.58086000\n_cell_angle_beta 111.42130000\n_cell_angle_gamma 89.96233000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.38879581\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11968331 0.91686608 0.20369143 1\n C C1 1 0.70699072 0.79218340 0.37820353 1\n C C2 1 0.74942350 0.51855138 0.46093519 1\n C C3 1 1.27551698 0.39493721 0.51317507 1\n C C4 1 -0.10347193 0.99550467 0.76101058 1\n C C5 1 0.31011912 0.12053535 0.58779689 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47083000\n_cell_length_b 7.44968000\n_cell_length_c 5.87193000\n_cell_angle_alpha 95.49632000\n_cell_angle_beta 99.18643000\n_cell_angle_gamma 102.25655000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.31943808\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96234847 -0.12222949 0.15488638 1\n C C1 1 1.08350669 0.54301263 0.91125092 1\n C C2 1 0.27647838 0.08362972 0.58514482 1\n C C3 1 0.29191175 0.57599509 0.19118550 1\n C C4 1 0.37289573 0.31557054 0.58933868 1\n C C5 1 0.78158351 0.22662485 0.04581645 1\n C C6 1 0.46573797 0.42913177 0.82872666 1\n C C7 1 0.83553239 0.34396952 0.44505459 1\n C C8 1 0.72929603 0.16723456 0.26778953 1\n C C9 1 0.15863065 0.72614653 0.81084525 1\n C C10 1 0.44507999 0.78721330 0.23628488 1\n C C11 1 0.74576935 0.98162882 0.65740338 1\n C C12 1 0.56042914 0.80254056 0.49133699 1\n C C13 1 0.84486714 0.52773872 0.33873007 1\n C C14 1 0.77614387 0.84928160 0.87883212 1\n C C15 1 0.17152579 0.06324641 0.31157808 1\n C C16 1 0.01872923 0.69717315 0.54348417 1\n C C17 1 0.30799382 0.28051152 0.96891101 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43232000\n_cell_length_b 4.00842000\n_cell_length_c 4.61905000\n_cell_angle_alpha 84.01145000\n_cell_angle_beta 75.21147000\n_cell_angle_gamma 89.20710000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.30137971\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11279867 0.09227944 0.22371919 1\n C C1 1 0.55819681 0.20606436 0.33350101 1\n C C2 1 0.89095388 0.53782742 0.66778980 1\n C C3 1 0.22470091 0.87347969 -0.00049433 1\n C C4 1 0.77975165 0.76113310 0.88905242 1\n C C5 1 0.44600807 0.42551229 0.55724761 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44310000\n_cell_length_b 6.43028000\n_cell_length_c 4.85929000\n_cell_angle_alpha 80.09237000\n_cell_angle_beta 59.77996000\n_cell_angle_gamma 100.93699000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.46097738\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83630775 0.48107748 0.23708247 1\n C C1 1 0.52799107 0.92212293 0.76585850 1\n C C2 1 0.48135581 0.87316044 0.28694640 1\n C C3 1 0.78716820 0.83203327 -0.03823390 1\n C C4 1 0.50362476 0.58640366 0.12316649 1\n C C5 1 0.47849306 0.27470291 0.49200374 1\n C C6 1 0.83476955 0.88345036 0.43916472 1\n C C7 1 0.81121720 0.16854244 0.60581777 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49455000\n_cell_length_b 3.42203000\n_cell_length_c 7.20812000\n_cell_angle_alpha 118.24685000\n_cell_angle_beta 80.00755000\n_cell_angle_gamma 111.39794000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.46781588\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96654312 0.79677494 0.94758471 1\n C C1 1 0.74314775 0.40428845 1.00229110 1\n C C2 1 0.96672428 0.35169712 0.50253746 1\n C C3 1 0.15596661 0.33605725 0.10775241 1\n C C4 1 0.74344835 0.84977719 0.44733725 1\n C C5 1 0.55319110 0.86453178 0.84192543 1\n C C6 1 0.15650639 0.57066454 0.34182510 1\n C C7 1 0.55316388 0.63038294 0.60790345 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42702000\n_cell_length_b 6.39631000\n_cell_length_c 5.45152000\n_cell_angle_alpha 126.80161000\n_cell_angle_beta 102.53811000\n_cell_angle_gamma 79.33945000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.98419047\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38460295 0.25792845 0.09405074 1\n C C1 1 0.20638143 0.03034359 0.49897724 1\n C C2 1 0.21540579 0.75995201 0.25037130 1\n C C3 1 0.44484254 0.96858052 0.92277880 1\n C C4 1 0.47055963 0.43284532 0.44590006 1\n C C5 1 0.73629256 0.62481721 0.15945477 1\n C C6 1 -0.02658765 0.56349777 0.58268544 1\n C C7 1 0.71006543 0.16044192 0.63708941 1\n C C8 1 0.79570991 0.33531206 -0.01113668 1\n C C9 1 -0.03535729 0.83373005 0.83075782 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56560000\n_cell_length_b 4.59325000\n_cell_length_c 7.01612000\n_cell_angle_alpha 96.10414000\n_cell_angle_beta 78.15719000\n_cell_angle_gamma 55.54486000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.14024814\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51700616 0.49428587 0.65015210 1\n C C1 1 -0.28501716 0.38917740 0.43964542 1\n C C2 1 1.08437338 0.87015624 0.77334537 1\n C C3 1 0.14799167 1.01345917 0.31641228 1\n C C4 1 0.36748621 0.47286673 -0.01132383 1\n C C5 1 0.98620054 0.85447714 -0.01144068 1\n C C6 1 0.86503320 0.41055950 1.10084698 1\n C C7 1 0.71266929 0.24177078 0.77328296 1\n C C8 1 0.24752058 0.02889118 0.10086036 1\n C C9 1 0.51999163 0.64175129 0.31645223 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.82362000\n_cell_length_b 3.63971000\n_cell_length_c 4.81719000\n_cell_angle_alpha 112.26952000\n_cell_angle_beta 104.14726000\n_cell_angle_gamma 90.95030000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.09462013\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.09218342 0.78565333 0.58599802 1\n C C1 1 0.90772736 0.99907676 0.39494600 1\n C C2 1 0.90559525 0.34554008 0.08636458 1\n C C3 1 0.90725669 0.38061199 0.39486983 1\n C C4 1 -0.09487542 0.72707531 0.08628840 1\n C C5 1 0.90503536 -0.05950127 0.89523638 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42864000\n_cell_length_b 3.44602000\n_cell_length_c 7.33616000\n_cell_angle_alpha 95.30919000\n_cell_angle_beta 84.28271000\n_cell_angle_gamma 77.84093000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.31339495\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57495393 0.25716998 0.83069827 1\n C C1 1 0.07427533 0.34183684 0.74720775 1\n C C2 1 1.07439592 0.50867843 0.58098568 1\n C C3 1 0.57499136 -0.24302270 0.33057731 1\n C C4 1 0.07438452 0.84146360 0.24704987 1\n C C5 1 0.07459149 1.00830006 0.08085632 1\n C C6 1 0.57478624 0.59045837 0.49686654 1\n C C7 1 0.57490211 1.09025370 0.99685596 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.99178000\n_cell_length_b 4.20734000\n_cell_length_c 4.20820000\n_cell_angle_alpha 60.01213000\n_cell_angle_beta 77.27948000\n_cell_angle_gamma 101.71899000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.56526154\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66204172 0.32816641 0.30732868 1\n C C1 1 0.65308987 0.99178953 0.31045509 1\n C C2 1 0.65336458 0.65855168 -0.02301735 1\n C C3 1 0.66193820 0.99483095 0.97408522 1\n C C4 1 0.66234281 0.66161072 0.64057406 1\n C C5 1 0.65337653 0.32527473 0.64365960 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.85949000\n_cell_length_b 4.85306000\n_cell_length_c 5.97409000\n_cell_angle_alpha 66.15794000\n_cell_angle_beta 84.57020000\n_cell_angle_gamma 71.37640000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.80185841\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52931777 0.10182377 0.73445276 1\n C C1 1 0.53318881 0.65747283 0.13861826 1\n C C2 1 0.52791253 0.45559166 0.02569885 1\n C C3 1 0.52519834 0.58366435 0.77079672 1\n C C4 1 0.52716272 0.41696126 0.62254855 1\n C C5 1 0.52496284 0.63005391 0.37992029 1\n C C6 1 0.52391988 0.89964048 0.62195674 1\n C C7 1 0.53134822 0.97384721 0.98954593 1\n C C8 1 0.52892331 0.14081103 0.13761237 1\n C C9 1 0.53032037 0.92822322 0.38046861 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43211000\n_cell_length_b 3.96577000\n_cell_length_c 4.67217000\n_cell_angle_alpha 95.76962000\n_cell_angle_beta 74.25028000\n_cell_angle_gamma 89.55762000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.12354237\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70489682 0.25740835 0.63350434 1\n C C1 1 0.48349484 0.81137108 0.07679455 1\n C C2 1 0.15074081 0.14330831 0.74269176 1\n C C3 1 0.81743826 0.47589326 0.40861941 1\n C C4 1 0.37204035 0.58857896 0.29882655 1\n C C5 1 0.03800052 0.92433624 -0.03283301 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30335000\n_cell_length_b 4.83513000\n_cell_length_c 5.23844000\n_cell_angle_alpha 142.17595000\n_cell_angle_beta 85.23279000\n_cell_angle_gamma 102.27294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.63188927\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26131332 0.12284829 1.05662632 1\n C C1 1 0.57563009 0.98160938 0.74255745 1\n C C2 1 0.78953431 0.36053556 -0.16312544 1\n C C3 1 0.67627028 0.38204591 0.60095486 1\n C C4 1 0.11488998 0.68609177 0.16244213 1\n C C5 1 0.35091470 0.05638831 0.27538053 1\n C C6 1 0.89774584 0.75923032 0.69326143 1\n C C7 1 0.21178837 0.61819155 0.37907862 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28037000\n_cell_length_b 4.97591000\n_cell_length_c 5.65443000\n_cell_angle_alpha 102.83900000\n_cell_angle_beta 106.65965000\n_cell_angle_gamma 111.53165000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.49860030\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87048157 0.79238917 0.36015236 1\n C C1 1 0.84368547 0.30381023 0.35327530 1\n C C2 1 0.64986744 0.31374768 0.58150158 1\n C C3 1 0.15464681 0.61959252 0.35969528 1\n C C4 1 0.66708277 0.79365369 0.57709191 1\n C C5 1 0.24851116 0.29475559 -0.02419839 1\n C C6 1 0.91532602 0.14829937 0.69550192 1\n C C7 1 0.22333735 0.79435143 0.97559741 1\n C C8 1 0.12016741 0.14660040 0.47686199 1\n C C9 1 0.36482903 0.61612265 0.13373257 1\n C C10 1 0.43924996 0.13028614 0.08975035 1\n C C11 1 0.83818991 0.63962713 0.74268522 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.13330000\n_cell_length_b 3.16513000\n_cell_length_c 6.35358000\n_cell_angle_alpha 76.90754000\n_cell_angle_beta 102.95232000\n_cell_angle_gamma 134.61570000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.49432530\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34111957 0.48963407 -0.04595196 1\n C C1 1 0.23033787 0.60073706 0.73175969 1\n C C2 1 0.89754731 -0.06650466 0.06531532 1\n C C3 1 0.00734359 0.82311076 0.28760050 1\n C C4 1 0.56449723 0.26609828 0.39801438 1\n C C5 1 0.67382333 1.15693859 0.62039146 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47438000\n_cell_length_b 4.28146000\n_cell_length_c 4.80323000\n_cell_angle_alpha 116.44905000\n_cell_angle_beta 104.90355000\n_cell_angle_gamma 90.01066000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.63764500\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.19985847 0.05600562 0.93431985 1\n C C1 1 0.63640452 0.15961647 0.80823037 1\n C C2 1 -0.05025466 0.47233367 0.43441769 1\n C C3 1 0.38599408 0.24266168 0.30818690 1\n C C4 1 0.70003739 0.55608493 -0.06550454 1\n C C5 1 0.13647405 0.65956523 0.80827888 1\n C C6 1 0.44989493 -0.02758340 0.43442918 1\n C C7 1 0.88625683 0.74273470 0.30834986 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43120000\n_cell_length_b 4.20145000\n_cell_length_c 6.47912000\n_cell_angle_alpha 116.18552000\n_cell_angle_beta 103.72076000\n_cell_angle_gamma 90.21725000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.24615946\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47315164 0.14574114 0.33490140 1\n C C1 1 0.47406614 0.47900771 0.33531138 1\n C C2 1 0.63881532 0.76393677 0.83122192 1\n C C3 1 0.97319335 0.64579978 0.33499324 1\n C C4 1 0.63960061 0.09705696 0.83141778 1\n C C5 1 1.13960380 0.59707831 0.83143867 1\n C C6 1 -0.02605611 0.97892046 0.33517681 1\n C C7 1 0.13879824 0.26391436 0.83119252 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43865000\n_cell_length_b 4.39091000\n_cell_length_c 6.39189000\n_cell_angle_alpha 112.88478000\n_cell_angle_beta 115.50968000\n_cell_angle_gamma 67.68542000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 77.58786638\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31149266 0.68384547 0.06925257 1\n C C1 1 0.96211406 0.49583470 0.85332390 1\n C C2 1 0.75362829 0.39993706 0.13394105 1\n C C3 1 0.13624931 0.30901661 0.63930109 1\n C C4 1 0.16849707 0.58326339 0.56705080 1\n C C5 1 0.57879491 1.04924182 0.71573387 1\n C C6 1 0.90143413 0.21784939 0.92006611 1\n C C7 1 0.34403230 -0.04218773 0.99657174 1\n C C8 1 0.57555063 0.20683286 0.21933659 1\n C C9 1 0.90453822 0.06004576 0.41678870 1\n C C10 1 0.27220276 0.79063838 0.31728074 1\n C C11 1 0.72635239 -0.13326129 0.50208470 1\n C C12 1 0.20718488 0.47632657 0.31880295 1\n C C13 1 0.51856799 0.77100060 0.78275129 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33826000\n_cell_length_b 3.33559000\n_cell_length_c 8.36710000\n_cell_angle_alpha 78.05768000\n_cell_angle_beta 58.29054000\n_cell_angle_gamma 78.30151000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.04887301\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32435059 0.77805189 0.18665642 1\n C C1 1 0.90279298 0.68097366 0.54380751 1\n C C2 1 0.51783188 0.80365704 0.71675874 1\n C C3 1 0.61855406 0.21934297 0.37340347 1\n C C4 1 0.68717899 0.41381965 0.18700287 1\n C C5 1 0.80285221 1.26992615 0.88750388 1\n C C6 1 -0.05489144 0.89602466 0.37329190 1\n C C7 1 0.18484950 0.13817005 0.71683650 1\n C C8 1 0.73426438 0.07679106 0.07410620 1\n C C9 1 1.09768183 0.71329591 0.07426768 1\n C C10 1 0.23477391 0.34777395 0.54389982 1\n C C11 1 0.47702721 0.59369849 0.88769391 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43066000\n_cell_length_b 3.09768000\n_cell_length_c 6.41656000\n_cell_angle_alpha 113.62964000\n_cell_angle_beta 100.91036000\n_cell_angle_gamma 90.26714000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.28758087\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30084198 0.16241081 0.39133082 1\n C C1 1 0.63361936 0.16057627 0.05743113 1\n C C2 1 0.52393844 0.16304433 0.83608362 1\n C C3 1 0.85770874 1.16548626 0.50343323 1\n C C4 1 -0.03242557 1.16304196 0.72479903 1\n C C5 1 0.19050746 0.16374006 0.16968377 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48267000\n_cell_length_b 3.79431000\n_cell_length_c 5.95638000\n_cell_angle_alpha 84.14238000\n_cell_angle_beta 102.04445000\n_cell_angle_gamma 89.98349000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.57407186\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13831162 0.83474929 0.67877151 1\n C C1 1 0.47349871 0.59291094 0.35093800 1\n C C2 1 1.04693989 0.15633850 0.49724977 1\n C C3 1 0.05004556 0.56721080 0.50351353 1\n C C4 1 0.81476184 -0.09144969 1.03352085 1\n C C5 1 0.47062306 0.18199840 0.34520017 1\n C C6 1 0.70707878 0.83972125 0.81519707 1\n C C7 1 0.38318145 0.91418930 0.17007361 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45660000\n_cell_length_b 4.38979000\n_cell_length_c 9.44867000\n_cell_angle_alpha 109.06533000\n_cell_angle_beta 90.00540000\n_cell_angle_gamma 90.00460000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 96.30483903\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32085098 0.27642762 0.81597237 1\n C C1 1 0.32030823 0.49648534 0.23232344 1\n C C2 1 0.82049397 0.65559976 0.30301411 1\n C C3 1 0.32053725 0.14204442 0.37549111 1\n C C4 1 0.31986746 0.20126868 0.13516432 1\n C C5 1 0.81960977 0.70984666 -0.00062247 1\n C C6 1 0.32082028 0.16228593 0.53347058 1\n C C7 1 0.82092789 0.02498042 0.58046093 1\n C C8 1 0.82112727 0.65863175 0.48154730 1\n C C9 1 -0.18027686 0.01463738 0.12514911 1\n C C10 1 0.82105685 1.15795186 0.74779015 1\n C C11 1 0.82035409 -0.00862482 0.29651249 1\n C C12 1 0.32110689 0.47441497 0.49242224 1\n C C13 1 0.31980224 0.56787354 -0.05686958 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49877000\n_cell_length_b 4.26075000\n_cell_length_c 4.84279000\n_cell_angle_alpha 68.43548000\n_cell_angle_beta 89.83379000\n_cell_angle_gamma 90.00985000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.95023074\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14024757 0.54453611 0.93797751 1\n C C1 1 0.64019187 0.36031708 0.91173899 1\n C C2 1 0.13969960 0.92654387 0.85792438 1\n C C3 1 0.13885736 0.88044319 0.19800499 1\n C C4 1 0.64011081 0.13139417 0.73230419 1\n C C5 1 0.63900487 0.29409163 0.40336272 1\n C C6 1 0.63881442 0.06397507 0.22505515 1\n C C7 1 1.13942679 0.49875359 0.27758206 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42051000\n_cell_length_b 2.69479000\n_cell_length_c 12.85457000\n_cell_angle_alpha 80.01927000\n_cell_angle_beta 84.07325000\n_cell_angle_gamma 85.66949000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.99483264\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48451417 0.49719273 0.87459580 1\n C C1 1 0.89703104 0.50438544 0.03830586 1\n C C2 1 0.20794251 1.23136535 0.42594915 1\n C C3 1 0.78672364 0.40586577 0.25902098 1\n C C4 1 0.36959750 0.49619527 0.09321125 1\n C C5 1 1.15246647 0.11783181 0.54177608 1\n C C6 1 -0.04366552 0.50253876 0.92900694 1\n C C7 1 0.73185037 0.29562970 0.37094572 1\n C C8 1 0.12922062 0.57688285 0.59360940 1\n C C9 1 1.07132103 0.50950893 0.70961566 1\n C C10 1 0.54410762 0.49990271 0.76398973 1\n C C11 1 0.31232017 0.44561368 0.20382581 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29358000\n_cell_length_b 3.30370000\n_cell_length_c 4.82305000\n_cell_angle_alpha 102.27441000\n_cell_angle_beta 77.71604000\n_cell_angle_gamma 100.21966000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.62333460\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02320860 0.85071792 0.85138499 1\n C C1 1 0.48555806 0.07762619 0.31079256 1\n C C2 1 0.38679067 0.21466124 -0.14851803 1\n C C3 1 0.60109458 0.30757747 0.56622785 1\n C C4 1 0.15952852 0.74934580 0.31063989 1\n C C5 1 0.92739398 0.63574985 0.56640481 1\n C C6 1 0.70804172 0.16604748 0.02492086 1\n C C7 1 1.07122598 0.52973206 1.02484236 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48152000\n_cell_length_b 3.68736000\n_cell_length_c 4.22167000\n_cell_angle_alpha 74.99571000\n_cell_angle_beta 90.03813000\n_cell_angle_gamma 109.60362000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99152838\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06196423 0.96509205 0.81762214 1\n C C1 1 0.86545216 0.56823571 0.74139546 1\n C C2 1 0.28686298 0.41119816 0.61095497 1\n C C3 1 0.31878391 0.47821707 0.24626831 1\n C C4 1 0.54146921 0.92426992 0.03975720 1\n C C5 1 0.74040602 0.32129660 0.11575682 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48907000\n_cell_length_b 4.72223000\n_cell_length_c 6.15949000\n_cell_angle_alpha 101.06189000\n_cell_angle_beta 99.02764000\n_cell_angle_gamma 97.39307000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.22513630\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90744220 0.95277391 0.83639377 1\n C C1 1 0.72879765 0.51001618 0.58472055 1\n C C2 1 0.31698377 0.93072975 0.44631980 1\n C C3 1 0.29244489 0.51179426 0.72258372 1\n C C4 1 0.83275099 0.86597084 0.57281551 1\n C C5 1 0.11136782 0.69012733 0.23251160 1\n C C6 1 0.52468615 0.26940874 0.37242362 1\n C C7 1 0.40520337 0.80521581 0.88535890 1\n C C8 1 0.93422294 0.24549096 0.98181207 1\n C C9 1 0.00870488 0.33292262 0.24561441 1\n C C10 1 0.54692522 0.68745005 0.09417523 1\n C C11 1 0.43570543 0.39365325 -0.06825868 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42564000\n_cell_length_b 4.21781000\n_cell_length_c 4.21874000\n_cell_angle_alpha 90.19365000\n_cell_angle_beta 89.96940000\n_cell_angle_gamma 90.00693000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.16120619\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20533826 0.48659977 -0.09301456 1\n C C1 1 0.70547376 0.92405993 0.47169626 1\n C C2 1 0.20534728 0.83491110 -0.03206745 1\n C C3 1 0.70533761 0.33064492 0.88034220 1\n C C4 1 0.70545678 0.98281483 0.81942668 1\n C C5 1 1.20553522 -0.10384445 0.31557417 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47285000\n_cell_length_b 5.23777000\n_cell_length_c 4.09268000\n_cell_angle_alpha 109.99216000\n_cell_angle_beta 89.96159000\n_cell_angle_gamma 90.15140000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.81474346\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05020387 0.32514954 0.84017917 1\n C C1 1 0.55020856 0.27128719 0.63220098 1\n C C2 1 0.05090012 0.90396195 0.18575497 1\n C C3 1 1.05010869 0.40716695 0.18487099 1\n C C4 1 0.55073689 0.77255273 0.63441007 1\n C C5 1 0.55018675 0.45915314 0.39271031 1\n C C6 1 0.05088449 0.82470686 0.84166526 1\n C C7 1 0.55092063 0.95771386 0.39338125 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48383000\n_cell_length_b 4.08691000\n_cell_length_c 4.67576000\n_cell_angle_alpha 83.26345000\n_cell_angle_beta 74.65500000\n_cell_angle_gamma 89.97152000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.43327203\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29035742 0.35760208 0.85351251 1\n C C1 1 1.06089760 0.07050054 0.31064175 1\n C C2 1 0.94822113 0.76454904 0.54185735 1\n C C3 1 0.55979305 0.29564545 0.31242948 1\n C C4 1 0.44955109 0.53777365 0.53912589 1\n C C5 1 -0.22375466 0.83125750 0.88385776 1\n C C6 1 0.23222427 1.00166029 0.96990201 1\n C C7 1 0.71775969 0.47575424 0.99783184 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.50171000\n_cell_length_b 4.20334000\n_cell_length_c 4.85662000\n_cell_angle_alpha 60.81667000\n_cell_angle_beta 77.21489000\n_cell_angle_gamma 79.26955000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.60494968\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71792392 0.50370931 0.10539648 1\n C C1 1 0.62341354 0.10310438 0.64181887 1\n C C2 1 0.34329266 0.60464166 0.71840134 1\n C C3 1 0.00879934 0.35604188 0.89366813 1\n C C4 1 0.40083915 0.88510110 0.35103705 1\n C C5 1 0.52980706 0.18848996 0.36210478 1\n C C6 1 0.43255225 0.78873255 0.89836363 1\n C C7 1 0.80895986 0.68736116 0.28537901 1\n C C8 1 0.75196969 0.40675080 0.65273919 1\n C C9 1 0.14317223 0.93640611 0.11006572 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48365000\n_cell_length_b 4.27143000\n_cell_length_c 7.83052000\n_cell_angle_alpha 74.19955000\n_cell_angle_beta 99.13580000\n_cell_angle_gamma 89.99031000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.83675667\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10026294 0.51137431 0.35730150 1\n C C1 1 0.95673496 0.32796335 0.07130364 1\n C C2 1 0.19630726 0.28025689 0.54555350 1\n C C3 1 0.46299129 0.81752636 1.08420613 1\n C C4 1 0.42271677 0.52806507 1.00326170 1\n C C5 1 0.82802235 0.11803493 0.81578310 1\n C C6 1 0.78567885 0.83550224 0.73025589 1\n C C7 1 0.69409690 1.06570300 0.54128587 1\n C C8 1 -0.43208387 0.71388550 0.29524010 1\n C C9 1 -0.07073987 0.01799455 0.01546469 1\n C C10 1 1.31541990 0.63328001 0.79150146 1\n C C11 1 0.59558570 1.03052986 0.34834890 1\n C C12 1 0.28974877 0.31614742 0.73845374 1\n C C13 1 0.05555456 0.22882173 0.27091368 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45351000\n_cell_length_b 4.18449000\n_cell_length_c 6.15378000\n_cell_angle_alpha 103.94623000\n_cell_angle_beta 126.39538000\n_cell_angle_gamma 90.05064000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.51184442\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18944733 0.18646927 0.32283564 1\n C C1 1 0.87052027 0.72265462 0.44307925 1\n C C2 1 0.46070797 0.92613806 0.50341827 1\n C C3 1 0.06073597 0.47535020 0.90442063 1\n C C4 1 0.77994075 0.39007075 0.38326787 1\n C C5 1 0.58586066 0.63677088 0.92161178 1\n C C6 1 0.67346029 0.00281489 0.97975072 1\n C C7 1 0.97466067 0.10920034 0.84633153 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51820000\n_cell_length_b 3.51679000\n_cell_length_c 3.31760000\n_cell_angle_alpha 90.00273000\n_cell_angle_beta 90.00347000\n_cell_angle_gamma 59.95491000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53236456\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25285355 -0.01298909 0.62305949 1\n C C1 1 0.71575735 1.06024346 0.12294238 1\n C C2 1 0.25227739 0.29169945 0.95723333 1\n C C3 1 0.94813040 0.29198210 0.28925655 1\n C C4 1 0.02112317 0.75508608 0.78926368 1\n C C5 1 0.71646923 0.75534609 0.45726228 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48747000\n_cell_length_b 2.48665000\n_cell_length_c 6.57995000\n_cell_angle_alpha 79.08789000\n_cell_angle_beta 55.42894000\n_cell_angle_gamma 89.96476000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61905730\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13889320 0.27249217 0.74529781 1\n C C1 1 1.13889320 0.60582550 0.07863114 1\n C C2 1 0.88880103 0.68911036 0.91196266 1\n C C3 1 0.88880103 0.35577703 0.57862932 1\n C C4 1 0.88880103 0.02244370 0.24529599 1\n C C5 1 0.13889320 0.93915884 0.41196448 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48483000\n_cell_length_b 4.08660000\n_cell_length_c 4.67943000\n_cell_angle_alpha 83.34464000\n_cell_angle_beta 105.38382000\n_cell_angle_gamma 89.98440000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.48216408\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17509958 0.01035968 0.37076595 1\n C C1 1 0.90106370 0.94782416 0.82908491 1\n C C2 1 0.52031286 0.41642553 0.05920938 1\n C C3 1 0.23091034 0.65459708 0.48518462 1\n C C4 1 0.74659393 0.12836947 0.51555644 1\n C C5 1 0.01937843 0.18958204 0.05721846 1\n C C6 1 0.39986040 0.72230400 0.82646229 1\n C C7 1 0.68943307 0.48388454 0.39994124 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33278000\n_cell_length_b 3.31793000\n_cell_length_c 4.68405000\n_cell_angle_alpha 89.86400000\n_cell_angle_beta 69.08666000\n_cell_angle_gamma 89.93620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.38352035\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00786861 0.77136838 0.97969534 1\n C C1 1 0.69573984 0.02247441 0.49637447 1\n C C2 1 1.03758495 0.39069465 0.80755701 1\n C C3 1 0.51863212 0.28765978 0.31033782 1\n C C4 1 0.83752315 0.64179995 0.32301028 1\n C C5 1 0.05601182 0.34806638 0.47710878 1\n C C6 1 0.38101644 0.06343918 0.82646565 1\n C C7 1 0.67526677 0.12334997 -0.00629374 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25475000\n_cell_length_b 3.28181000\n_cell_length_c 4.23830000\n_cell_angle_alpha 55.98079000\n_cell_angle_beta 95.11271000\n_cell_angle_gamma 80.89100000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.16610369\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98107881 0.45651616 0.32828283 1\n C C1 1 0.55497288 0.54589289 0.09062487 1\n C C2 1 -0.07389331 0.34192764 0.70983048 1\n C C3 1 0.19392775 0.90666557 0.09109635 1\n C C4 1 0.60994500 0.66048140 0.70907722 1\n C C5 1 0.34212395 0.09574347 0.32781135 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48114000\n_cell_length_b 3.68930000\n_cell_length_c 4.21852000\n_cell_angle_alpha 75.21768000\n_cell_angle_beta 90.02506000\n_cell_angle_gamma 70.34594000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00353730\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03372844 0.10334085 0.76018467 1\n C C1 1 0.93403539 0.17424718 0.39489289 1\n C C2 1 0.19068828 0.65781898 0.96647905 1\n C C3 1 0.38784898 0.26015798 0.89108459 1\n C C4 1 0.70977204 0.61963919 0.18839676 1\n C C5 1 0.51226135 1.01737343 0.26403064 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51548000\n_cell_length_b 5.69712000\n_cell_length_c 4.84377000\n_cell_angle_alpha 120.33624000\n_cell_angle_beta 101.75321000\n_cell_angle_gamma 86.12324000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.60410481\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20016902 0.60197358 0.39824478 1\n C C1 1 0.66984699 0.41482844 0.30007544 1\n C C2 1 0.78309921 0.28380941 0.52007507 1\n C C3 1 0.23927301 0.81071905 0.28235889 1\n C C4 1 0.50533967 0.22690894 0.93296619 1\n C C5 1 0.97977264 0.05080898 0.79380425 1\n C C6 1 0.25602626 0.67674677 0.93468212 1\n C C7 1 -0.20932642 -0.01399101 0.43529114 1\n C C8 1 0.36225105 0.38472431 0.74549452 1\n C C9 1 0.15506527 0.78454051 0.74765750 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31847000\n_cell_length_b 3.51964000\n_cell_length_c 6.09058000\n_cell_angle_alpha 89.99896000\n_cell_angle_beta 90.00434000\n_cell_angle_gamma 89.98284000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.13687317\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20706459 0.66681757 0.27514785 1\n C C1 1 0.53925204 0.81854387 0.42679787 1\n C C2 1 0.70728703 0.97137003 0.04320363 1\n C C3 1 1.20713299 0.16688051 0.77515497 1\n C C4 1 0.37311363 0.16705071 0.54314934 1\n C C5 1 0.03941611 0.81869677 0.89036356 1\n C C6 1 0.70722926 0.47132801 0.54320198 1\n C C7 1 0.03933726 0.31862346 0.39036593 1\n C C8 1 0.37317273 0.66708827 0.04314425 1\n C C9 1 0.53934784 0.31859833 0.92679216 1\n C C10 1 0.87302248 0.47132000 0.77526808 1\n C C11 1 0.87294762 -0.02873874 0.27528067 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48834000\n_cell_length_b 6.50765000\n_cell_length_c 4.75979000\n_cell_angle_alpha 68.53768000\n_cell_angle_beta 58.44432000\n_cell_angle_gamma 78.96681000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.12499951\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54693348 0.97481603 0.03871521 1\n C C1 1 0.34674970 0.66323877 -0.10434881 1\n C C2 1 0.36282769 0.28239407 0.56837734 1\n C C3 1 0.73089094 0.28267378 0.19994933 1\n C C4 1 0.72736455 0.18913635 0.75007076 1\n C C5 1 0.36627732 0.18959130 0.11139138 1\n C C6 1 0.74902852 0.66325282 0.49345656 1\n C C7 1 1.04693452 0.84171984 0.10560616 1\n C C8 1 0.73724360 0.53966921 0.06654028 1\n C C9 1 0.35845558 0.53953094 0.44607920 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50517000\n_cell_length_b 3.77029000\n_cell_length_c 6.33331000\n_cell_angle_alpha 126.53317000\n_cell_angle_beta 90.01287000\n_cell_angle_gamma 89.98493000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.06569806\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37448350 0.76946086 0.63297873 1\n C C1 1 0.37444973 0.55608515 0.90769184 1\n C C2 1 0.37447737 0.15741975 0.63328473 1\n C C3 1 0.87447549 0.59573628 0.26549103 1\n C C4 1 0.37446676 0.42338777 0.09322971 1\n C C5 1 -0.12553226 0.50348145 0.47341134 1\n C C6 1 0.37453194 0.92130144 0.90813937 1\n C C7 1 0.87441047 0.10348721 0.47333797 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.75054000\n_cell_length_b 4.69416000\n_cell_length_c 3.45626000\n_cell_angle_alpha 47.31782000\n_cell_angle_beta 53.85281000\n_cell_angle_gamma 51.31439000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.24468147\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07572906 0.11730477 0.04517183 1\n C C1 1 0.04879551 0.61090329 0.06810515 1\n C C2 1 0.55497812 0.51857652 0.84942090 1\n C C3 1 0.73178437 0.37213064 0.19426187 1\n C C4 1 0.72139799 0.71488159 0.20434984 1\n C C5 1 0.23803599 0.27954166 0.97547690 1\n C C6 1 0.21082083 0.77363763 0.99770916 1\n C C7 1 0.56549573 0.17551590 0.83952146 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.57760000\n_cell_length_b 3.40492000\n_cell_length_c 4.58267000\n_cell_angle_alpha 89.06558000\n_cell_angle_beta 137.04778000\n_cell_angle_gamma 89.42007000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.63763790\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83990068 0.42840492 0.29384156 1\n C C1 1 0.79912999 0.62056723 0.96838961 1\n C C2 1 0.39978945 0.26099206 0.06786097 1\n C C3 1 0.50139414 0.90828100 0.66965992 1\n C C4 1 0.91242607 0.76068052 0.55636836 1\n C C5 1 0.47820094 0.91569025 0.32733476 1\n C C6 1 0.17481863 0.09559521 0.62838454 1\n C C7 1 0.14102720 0.60667561 -0.00943082 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45253000\n_cell_length_b 4.58665000\n_cell_length_c 5.35841000\n_cell_angle_alpha 95.55953000\n_cell_angle_beta 90.13933000\n_cell_angle_gamma 74.68106000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.84428765\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49309026 0.18293624 0.80220704 1\n C C1 1 0.27901137 0.60943755 0.16757163 1\n C C2 1 -0.05187190 0.27332192 0.65179963 1\n C C3 1 0.69696745 0.77453897 0.08281897 1\n C C4 1 0.43650711 0.29794421 0.07286172 1\n C C5 1 0.05560537 0.05370424 0.41560947 1\n C C6 1 0.23131821 0.70234272 0.45065341 1\n C C7 1 0.66062593 0.84388027 0.82347769 1\n C C8 1 0.54697485 0.07061029 0.24897595 1\n C C9 1 0.77596135 0.61687920 0.59714151 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46180000\n_cell_length_b 5.69782000\n_cell_length_c 6.36427000\n_cell_angle_alpha 115.94947000\n_cell_angle_beta 92.94537000\n_cell_angle_gamma 91.20621000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.07036472\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58606423 0.62720932 0.74808603 1\n C C1 1 0.68074812 0.17519704 0.46466407 1\n C C2 1 0.65736424 0.07903097 0.97592794 1\n C C3 1 0.81696171 0.38506247 0.39191337 1\n C C4 1 0.11919132 0.87780743 0.58192846 1\n C C5 1 1.19423904 0.49793914 1.10053158 1\n C C6 1 0.15487249 0.33052546 0.84212598 1\n C C7 1 0.64016196 0.36055719 0.72716276 1\n C C8 1 0.15444360 0.78817400 0.13996598 1\n C C9 1 0.63623839 0.82956062 1.01323137 1\n C C10 1 1.13905093 0.07070374 0.83071747 1\n C C11 1 0.03882584 0.63085327 0.59860886 1\n C C12 1 0.16214042 -0.01133375 0.40507442 1\n C C13 1 0.71348072 0.37872230 0.16659962 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46014000\n_cell_length_b 3.39560000\n_cell_length_c 6.00358000\n_cell_angle_alpha 71.12567000\n_cell_angle_beta 101.89612000\n_cell_angle_gamma 68.86761000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.19778003\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03427289 -0.13936657 0.58710562 1\n C C1 1 0.27832880 0.64689871 0.86286740 1\n C C2 1 0.50437613 0.79255164 0.45981382 1\n C C3 1 0.13576694 0.33255282 0.26546323 1\n C C4 1 0.66546682 0.40168562 0.39229339 1\n C C5 1 -0.10793817 0.54450119 -0.01042616 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47123000\n_cell_length_b 4.94533000\n_cell_length_c 5.97806000\n_cell_angle_alpha 106.59284000\n_cell_angle_beta 97.17797000\n_cell_angle_gamma 94.48956000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.96643739\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61637417 0.35428460 0.68120373 1\n C C1 1 0.67624379 0.95230025 0.31419819 1\n C C2 1 0.76246638 0.81135642 0.51382008 1\n C C3 1 0.06757482 0.84799144 -0.01044155 1\n C C4 1 0.54274428 0.17941124 0.83846538 1\n C C5 1 0.12923061 0.44370906 0.62137924 1\n C C6 1 0.98250784 -0.01197084 0.78993704 1\n C C7 1 0.14466478 0.38644264 0.22204404 1\n C C8 1 0.16199481 0.08372967 0.24193715 1\n C C9 1 0.58170409 0.71740968 0.06210271 1\n C C10 1 0.60004875 0.41453315 0.08142457 1\n C C11 1 0.20289429 0.62051088 0.46543362 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43813000\n_cell_length_b 5.73258000\n_cell_length_c 4.84916000\n_cell_angle_alpha 75.64617000\n_cell_angle_beta 82.80088000\n_cell_angle_gamma 97.04838000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.30312941\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30333093 -0.04348412 0.73462073 1\n C C1 1 0.68724457 0.60213156 1.02782519 1\n C C2 1 1.13900661 0.50594225 0.14218529 1\n C C3 1 0.07364486 0.30889968 0.41009066 1\n C C4 1 0.63907330 0.06298465 0.15464823 1\n C C5 1 0.75094109 0.79858803 0.76006955 1\n C C6 1 0.52188554 1.15054167 0.43555493 1\n C C7 1 0.14759930 0.50224127 0.56190908 1\n C C8 1 0.67533186 0.60646866 0.60690293 1\n C C9 1 0.18741564 0.04378956 1.01556681 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.95585000\n_cell_length_b 4.20305000\n_cell_length_c 7.47707000\n_cell_angle_alpha 104.50948000\n_cell_angle_beta 40.38288000\n_cell_angle_gamma 108.50961000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.06498475\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83668632 0.07050445 0.94170206 1\n C C1 1 0.33601325 0.57042698 0.69170434 1\n C C2 1 0.33417467 0.90316835 0.19173244 1\n C C3 1 0.33587070 0.57042460 0.19177267 1\n C C4 1 0.33431535 0.90315289 0.69164738 1\n C C5 1 0.83663963 1.07054080 0.44173292 1\n C C6 1 0.83520397 0.40334063 0.94172763 1\n C C7 1 0.83512761 0.40331179 0.44176956 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.59905000\n_cell_length_b 4.84137000\n_cell_length_c 5.61904000\n_cell_angle_alpha 95.17664000\n_cell_angle_beta 99.36840000\n_cell_angle_gamma 113.06273000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.59320948\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24845060 0.25091336 0.76004264 1\n C C1 1 0.97970436 0.31373852 0.93005338 1\n C C2 1 0.86568002 0.77448427 0.89388439 1\n C C3 1 0.23736620 0.93989154 0.78974884 1\n C C4 1 0.38955491 0.71870398 0.39892023 1\n C C5 1 0.38825580 0.40829490 0.38171884 1\n C C6 1 0.82846972 0.91098294 0.38900443 1\n C C7 1 0.65000121 0.98262623 0.92953933 1\n C C8 1 0.70532178 0.44844961 0.78612793 1\n C C9 1 0.02904728 0.23855457 0.49427851 1\n C C10 1 0.78910232 0.43603013 0.52692362 1\n C C11 1 0.08946646 0.76239705 0.52389355 1\n C C12 1 0.30993503 0.52300655 0.14822768 1\n C C13 1 0.70587521 0.79932965 0.11919893 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48761000\n_cell_length_b 3.51633000\n_cell_length_c 8.96229000\n_cell_angle_alpha 78.68692000\n_cell_angle_beta 82.03464000\n_cell_angle_gamma 90.00329000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 76.10060735\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80157647 1.07898024 0.14845640 1\n C C1 1 0.87587499 0.40032631 0.00594339 1\n C C2 1 0.72984422 0.25700356 0.29178540 1\n C C3 1 0.30152364 0.82855268 0.14849705 1\n C C4 1 0.09699753 0.36475933 0.57697159 1\n C C5 1 0.52588734 0.79345754 0.71994675 1\n C C6 1 0.16295610 0.68674951 0.43427914 1\n C C7 1 -0.33702489 0.93570116 0.43433317 1\n C C8 1 0.37588222 0.64934123 0.00598490 1\n C C9 1 0.22997305 0.50761097 0.29173217 1\n C C10 1 0.45175748 -0.02850863 0.86268974 1\n C C11 1 0.59706792 0.11521073 0.57697982 1\n C C12 1 1.02574668 0.54266638 0.72008340 1\n C C13 1 0.95173076 0.22133149 0.86266268 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48150000\n_cell_length_b 3.84179000\n_cell_length_c 3.74614000\n_cell_angle_alpha 89.86350000\n_cell_angle_beta 89.97446000\n_cell_angle_gamma 90.00096000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.71335323\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60503388 0.88888769 0.94301564 1\n C C1 1 0.10527321 0.88944839 0.70609655 1\n C C2 1 0.10503125 0.59471230 0.43941047 1\n C C3 1 0.60509919 0.59403610 0.21041677 1\n C C4 1 0.10526506 0.30011682 0.70692523 1\n C C5 1 0.60505121 0.29953899 0.94387273 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43159000\n_cell_length_b 4.81679000\n_cell_length_c 4.22683000\n_cell_angle_alpha 97.76941000\n_cell_angle_beta 106.76166000\n_cell_angle_gamma 75.32073000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.75271203\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10375727 0.99834940 0.77733248 1\n C C1 1 0.71742929 0.24569123 0.25195712 1\n C C2 1 1.18008362 0.42979104 0.35936303 1\n C C3 1 0.93689669 -0.02952623 0.41265955 1\n C C4 1 0.34796978 0.45768952 0.72423823 1\n C C5 1 -0.04733849 0.71103935 0.18632820 1\n C C6 1 0.33026108 0.71749151 -0.04966709 1\n C C7 1 0.56442186 0.18243507 0.88495659 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51586000\n_cell_length_b 4.30534000\n_cell_length_c 4.30459000\n_cell_angle_alpha 109.44925000\n_cell_angle_beta 114.07855000\n_cell_angle_gamma 114.11673000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.45188960\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98874602 0.74378907 0.11659205 1\n C C1 1 0.98874602 0.24378907 0.61659205 1\n C C2 1 -0.01137194 0.61874218 0.74148653 1\n C C3 1 0.48874602 -0.00621093 0.86659205 1\n C C4 1 0.48862806 0.36874218 0.99148653 1\n C C5 1 0.48862806 0.86874218 0.49148653 1\n C C6 1 -0.01137194 0.11874218 0.24148653 1\n C C7 1 0.48874602 0.49378907 0.36659205 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48402000\n_cell_length_b 3.82378000\n_cell_length_c 5.22685000\n_cell_angle_alpha 98.89720000\n_cell_angle_beta 90.04613000\n_cell_angle_gamma 108.97057000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31560718\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32163278 0.29135191 0.32205420 1\n C C1 1 -0.25158141 0.14299384 -0.06311810 1\n C C2 1 -0.01427940 0.62085483 0.71566345 1\n C C3 1 0.49780391 0.64091627 0.15998361 1\n C C4 1 0.95079320 0.54671629 0.99452020 1\n C C5 1 1.20136166 0.04889752 0.77140463 1\n C C6 1 0.37466581 0.39822735 0.60925071 1\n C C7 1 0.71099776 1.06922480 0.21577569 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43279000\n_cell_length_b 4.08152000\n_cell_length_c 10.09978000\n_cell_angle_alpha 60.55670000\n_cell_angle_beta 89.87748000\n_cell_angle_gamma 90.29516000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.33053236\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04241356 0.31919787 -0.14176244 1\n C C1 1 1.04244292 1.21280149 0.74590450 1\n C C2 1 0.54244780 1.15305188 0.69146357 1\n C C3 1 0.04240084 0.98253666 0.52584486 1\n C C4 1 0.54237816 0.48104931 0.02631474 1\n C C5 1 0.54238299 0.37612306 0.91357722 1\n C C6 1 1.04242843 0.65121260 0.19202248 1\n C C7 1 1.04237205 0.53966056 0.08110604 1\n C C8 1 0.54241552 -0.18083010 0.35822841 1\n C C9 1 0.54243630 0.71162180 0.24625260 1\n C C10 1 0.54239481 1.04175468 0.58045451 1\n C C11 1 1.04239173 -0.12318601 0.41334552 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45781000\n_cell_length_b 3.40719000\n_cell_length_c 5.34423000\n_cell_angle_alpha 81.01504000\n_cell_angle_beta 89.98590000\n_cell_angle_gamma 68.80167000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.13660410\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40148167 0.12327171 0.22034352 1\n C C1 1 0.43716226 1.06440084 0.49682209 1\n C C2 1 0.79881617 0.32734839 1.09184769 1\n C C3 1 0.96592993 -0.00533493 0.89975454 1\n C C4 1 0.56733101 0.79079025 0.02775835 1\n C C5 1 -0.05630433 1.05105604 0.62317571 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47437000\n_cell_length_b 4.91545000\n_cell_length_c 7.96829000\n_cell_angle_alpha 62.64248000\n_cell_angle_beta 62.26123000\n_cell_angle_gamma 59.74621000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.81256701\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.16084250 0.46302528 0.08924436 1\n C C1 1 0.65724082 0.30444944 0.31535664 1\n C C2 1 0.19126247 0.71660730 0.68638816 1\n C C3 1 0.53234452 0.82965030 0.04974859 1\n C C4 1 0.58164567 0.35878136 0.99716814 1\n C C5 1 0.22953290 0.54528721 0.44037680 1\n C C6 1 1.22672072 0.10761214 0.40048535 1\n C C7 1 -0.11096081 0.99184988 1.03684005 1\n C C8 1 0.90299263 0.09225419 0.62784116 1\n C C9 1 0.18899482 0.27919675 0.64595215 1\n C C10 1 0.76145856 0.51954738 0.77108255 1\n C C11 1 0.51494990 0.73211747 0.45908035 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46028000\n_cell_length_b 3.39687000\n_cell_length_c 6.02941000\n_cell_angle_alpha 61.35314000\n_cell_angle_beta 78.19410000\n_cell_angle_gamma 68.73262000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.18058838\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11459773 -0.03354241 0.62536323 1\n C C1 1 0.34329188 0.65222315 1.02788623 1\n C C2 1 0.37310519 0.86472634 0.75220877 1\n C C3 1 0.92069662 0.17582426 0.34980300 1\n C C4 1 0.51847489 1.10821448 0.22300840 1\n C C5 1 0.74600965 0.71926097 0.15478287 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46631000\n_cell_length_b 6.32227000\n_cell_length_c 5.18420000\n_cell_angle_alpha 94.34162000\n_cell_angle_beta 93.09802000\n_cell_angle_gamma 82.52379000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.83849408\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41779067 0.34567207 0.33309140 1\n C C1 1 0.71873292 0.66376428 0.24823275 1\n C C2 1 0.22053188 0.69804118 0.41488145 1\n C C3 1 0.52660562 1.01804207 0.61379509 1\n C C4 1 0.47771423 0.11681428 0.35302041 1\n C C5 1 1.39531741 0.49884174 0.56347880 1\n C C6 1 0.94201905 0.31946680 0.90679047 1\n C C7 1 0.07942476 0.87432167 0.62450433 1\n C C8 1 0.58039963 0.79246847 1.02143145 1\n C C9 1 0.93693990 0.50488921 0.73082931 1\n C C10 1 0.52187378 1.02241203 0.09708136 1\n C C11 1 0.87050098 0.41638832 0.18508661 1\n C C12 1 0.48755002 0.17122740 0.87138076 1\n C C13 1 0.05056305 0.73818858 0.85828951 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42671000\n_cell_length_b 4.14431000\n_cell_length_c 6.40644000\n_cell_angle_alpha 68.73322000\n_cell_angle_beta 79.02529000\n_cell_angle_gamma 90.00890000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.77526091\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53953315 0.94521247 0.20988213 1\n C C1 1 -0.01000484 0.80282794 0.30976801 1\n C C2 1 -0.14354655 0.18556484 0.59197702 1\n C C3 1 0.34154933 0.01420540 0.62228195 1\n C C4 1 -0.12798228 0.55926844 0.55180617 1\n C C5 1 0.31354331 0.63795881 0.66736025 1\n C C6 1 0.63913407 0.25569814 0.01218817 1\n C C7 1 0.19004991 0.39747775 0.91143550 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46431000\n_cell_length_b 4.06230000\n_cell_length_c 6.90575000\n_cell_angle_alpha 79.64399000\n_cell_angle_beta 80.02277000\n_cell_angle_gamma 91.88518000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.83071769\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33453634 0.07540304 0.36614311 1\n C C1 1 0.68628060 0.47935468 0.05300417 1\n C C2 1 1.13307506 0.56640130 0.16320138 1\n C C3 1 0.08939831 0.13429142 0.80975787 1\n C C4 1 0.65291014 0.62011777 0.83808222 1\n C C5 1 0.64117514 0.32974535 0.73760248 1\n C C6 1 -0.12436754 0.31070679 0.36591606 1\n C C7 1 -0.23079271 0.52681022 0.52451347 1\n C C8 1 0.84476265 0.10902811 0.04351799 1\n C C9 1 0.28063166 0.75661590 0.52760796 1\n C C10 1 0.18430910 0.80655884 0.75272139 1\n C C11 1 0.28184154 0.94960398 0.15671719 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47402000\n_cell_length_b 4.23484000\n_cell_length_c 7.34205000\n_cell_angle_alpha 54.74215000\n_cell_angle_beta 70.28826000\n_cell_angle_gamma 89.97748000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.21164746\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02710587 0.13996526 0.28158175 1\n C C1 1 0.08220835 0.57549558 0.67483052 1\n C C2 1 0.38679520 0.88198989 0.36801950 1\n C C3 1 0.86887988 0.36569289 0.38738652 1\n C C4 1 0.49580625 0.66100469 0.76103905 1\n C C5 1 -0.00212299 0.15085132 0.75954572 1\n C C6 1 0.73345318 0.75186184 0.02121570 1\n C C7 1 0.60335809 1.09870112 0.65469605 1\n C C8 1 0.23325358 0.53101145 0.02128577 1\n C C9 1 0.47231415 0.62726276 0.28301362 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.07105000\n_cell_length_b 3.50634000\n_cell_length_c 5.60677000\n_cell_angle_alpha 74.50923000\n_cell_angle_beta 83.23387000\n_cell_angle_gamma 76.36182000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.82313566\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37828417 0.33547450 0.45290954 1\n C C1 1 0.91697565 0.68756218 0.19119246 1\n C C2 1 1.21577038 0.32533816 0.20956635 1\n C C3 1 0.91383230 0.53238104 0.71104753 1\n C C4 1 0.16976471 0.70889470 0.53853162 1\n C C5 1 0.75314364 -0.03302556 0.96597494 1\n C C6 1 0.54273748 0.34198872 0.05113177 1\n C C7 1 0.70617664 0.35142368 0.29374817 1\n C C8 1 0.01135605 0.14175732 0.79492494 1\n C C9 1 0.00531417 -0.01175550 0.31355418 1\n C C10 1 0.60204653 0.71869972 0.83881895 1\n C C11 1 0.32148578 0.95821485 0.66420974 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43550000\n_cell_length_b 4.19374000\n_cell_length_c 8.67435000\n_cell_angle_alpha 86.40134000\n_cell_angle_beta 106.21783000\n_cell_angle_gamma 89.97920000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 84.89037605\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32958671 0.13922210 0.04321728 1\n C C1 1 -0.35228389 0.47556745 0.36860298 1\n C C2 1 0.90496231 0.97813699 0.11888967 1\n C C3 1 0.08909502 0.98547302 0.30607654 1\n C C4 1 0.86460311 0.64313244 0.07177464 1\n C C5 1 0.57377396 0.04260366 0.79095647 1\n C C6 1 0.34815144 0.48848573 0.05627447 1\n C C7 1 0.13118680 0.32085040 0.35296341 1\n C C8 1 1.42043918 -0.06844443 0.63352444 1\n C C9 1 0.84316264 0.88536021 0.55687157 1\n C C10 1 0.15150220 0.08538369 0.86828847 1\n C C11 1 0.66511282 0.82502225 0.38241146 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48170000\n_cell_length_b 3.68915000\n_cell_length_c 4.21777000\n_cell_angle_alpha 75.20583000\n_cell_angle_beta 89.97531000\n_cell_angle_gamma 70.37248000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01103493\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57630480 0.12035655 0.21272559 1\n C C1 1 -0.00170550 0.27659670 0.34387961 1\n C C2 1 0.45592320 0.36298286 0.83974979 1\n C C3 1 0.25732090 0.76054466 0.91522002 1\n C C4 1 0.77717243 0.72197192 0.13761068 1\n C C5 1 0.03468077 0.20576471 0.70897411 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50118000\n_cell_length_b 4.45997000\n_cell_length_c 8.79325000\n_cell_angle_alpha 67.19236000\n_cell_angle_beta 106.09156000\n_cell_angle_gamma 90.01985000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.24065699\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14764414 0.59311483 0.36030513 1\n C C1 1 0.21029486 0.95851662 0.90725474 1\n C C2 1 0.91707358 0.31772155 0.62585599 1\n C C3 1 0.20666628 0.28359444 0.90222897 1\n C C4 1 0.73230051 0.02487238 0.44639940 1\n C C5 1 0.93461192 -0.17755078 0.63837940 1\n C C6 1 0.72542711 0.39180792 0.44063435 1\n C C7 1 0.15181708 0.94877655 0.36373983 1\n C C8 1 1.03384043 -0.00260110 0.73620770 1\n C C9 1 0.37494895 0.31122897 0.07345000 1\n C C10 1 0.02456745 0.49538208 0.72343807 1\n C C11 1 0.37648711 0.67385940 0.07555697 1\n C C12 1 0.96074037 0.74339170 0.16313391 1\n C C13 1 0.96094629 0.10638214 0.16286103 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43004000\n_cell_length_b 4.55857000\n_cell_length_c 5.84177000\n_cell_angle_alpha 112.53189000\n_cell_angle_beta 94.21592000\n_cell_angle_gamma 102.61737000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.43489215\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58110863 0.40611184 0.61787506 1\n C C1 1 0.33115206 0.90607073 -0.13190318 1\n C C2 1 0.91448617 1.07288785 0.95178278 1\n C C3 1 0.66446563 0.57268277 0.20243831 1\n C C4 1 0.08104326 0.40599295 0.11811478 1\n C C5 1 0.83110849 0.90590079 0.36850200 1\n C C6 1 0.41445289 0.07282299 0.45196627 1\n C C7 1 0.16452186 0.57288218 0.70200097 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63153000\n_cell_length_b 3.27468000\n_cell_length_c 3.27204000\n_cell_angle_alpha 80.81513000\n_cell_angle_beta 104.49818000\n_cell_angle_gamma 104.53411000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.27171480\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67792764 0.36056932 0.33723555 1\n C C1 1 0.29680114 0.77715029 0.70856323 1\n C C2 1 0.05955621 -0.01081993 0.91990315 1\n C C3 1 0.67826423 1.04324889 0.65342316 1\n C C4 1 0.29635930 0.41533683 0.06967305 1\n C C5 1 0.05922779 0.62887350 0.28167715 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39763000\n_cell_length_b 3.39817000\n_cell_length_c 4.11548000\n_cell_angle_alpha 78.53857000\n_cell_angle_beta 78.48874000\n_cell_angle_gamma 93.84808000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.34908247\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49208236 0.95275942 0.04549210 1\n C C1 1 0.43602002 0.89711188 0.70102316 1\n C C2 1 0.84970910 0.30876848 0.04215625 1\n C C3 1 0.62913127 0.56987409 0.25567863 1\n C C4 1 0.30082777 0.28002039 0.49009964 1\n C C5 1 0.10908690 1.08805840 0.25646099 1\n C C6 1 1.07999344 0.53949331 0.70439570 1\n C C7 1 0.81895084 0.75991463 0.49098153 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48028000\n_cell_length_b 3.69020000\n_cell_length_c 5.97973000\n_cell_angle_alpha 54.85730000\n_cell_angle_beta 51.47313000\n_cell_angle_gamma 70.32049000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99191608\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44839254 -0.04172758 0.39414342 1\n C C1 1 0.89553268 0.67052155 0.52520147 1\n C C2 1 0.32456291 0.43107770 0.31888527 1\n C C3 1 1.06636762 0.61367705 0.09674038 1\n C C4 1 0.94411805 0.08681405 1.02098154 1\n C C5 1 0.49632649 0.37449743 0.89019581 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.54370000\n_cell_length_b 5.42621000\n_cell_length_c 4.51718000\n_cell_angle_alpha 61.21274000\n_cell_angle_beta 76.24784000\n_cell_angle_gamma 65.05843000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.42020536\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34904353 0.93178196 1.18371499 1\n C C1 1 0.90499843 0.63463538 0.73891286 1\n C C2 1 0.34972076 1.17596531 0.18101952 1\n C C3 1 0.46790348 0.46447043 0.30069704 1\n C C4 1 0.14372328 0.94008030 0.97804930 1\n C C5 1 -0.09395712 0.14225014 0.73985482 1\n C C6 1 0.23034145 0.64362881 1.06385974 1\n C C7 1 0.14477079 0.47633600 -0.02394817 1\n C C8 1 0.55500473 0.16806482 0.38616415 1\n C C9 1 0.55352984 0.63150451 0.38880154 1\n C C10 1 0.79331024 0.47363921 0.62541373 1\n C C11 1 0.79232568 0.96641263 0.62432529 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48688000\n_cell_length_b 4.53162000\n_cell_length_c 6.31607000\n_cell_angle_alpha 87.33017000\n_cell_angle_beta 101.34708000\n_cell_angle_gamma 105.93825000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.10334884\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01754879 0.35445933 0.81448772 1\n C C1 1 -0.01395079 0.82121767 0.28877957 1\n C C2 1 0.63062113 0.27286872 0.12692935 1\n C C3 1 0.78693700 0.63125979 0.07945996 1\n C C4 1 0.86202507 0.27612257 0.57944561 1\n C C5 1 0.14413553 0.17949096 0.24780148 1\n C C6 1 0.47523282 0.19450642 0.89196939 1\n C C7 1 0.22450520 0.65191625 0.93431636 1\n C C8 1 0.50562681 0.72778242 0.41892418 1\n C C9 1 0.26819926 0.89726384 0.77172670 1\n C C10 1 0.34807290 0.36958215 0.45832256 1\n C C11 1 0.70657650 0.91858397 0.62734952 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.65312000\n_cell_length_b 4.80724000\n_cell_length_c 4.29069000\n_cell_angle_alpha 109.28977000\n_cell_angle_beta 57.60287000\n_cell_angle_gamma 91.12189000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.75341119\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53666965 0.54928007 0.04264571 1\n C C1 1 0.26954426 0.85597712 0.31272467 1\n C C2 1 0.91848322 0.54936894 0.65974203 1\n C C3 1 0.32333974 0.35693432 0.25541475 1\n C C4 1 0.47921641 0.04845415 0.10035455 1\n C C5 1 -0.11460557 0.85617010 0.69589150 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43210000\n_cell_length_b 4.20405000\n_cell_length_c 6.09767000\n_cell_angle_alpha 111.07038000\n_cell_angle_beta 82.51511000\n_cell_angle_gamma 90.12351000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.61512220\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23251778 0.84842731 0.32647664 1\n C C1 1 -0.26704847 0.68098121 0.32605804 1\n C C2 1 0.23304405 0.18108537 0.32624965 1\n C C3 1 0.55407795 0.64036021 0.82434476 1\n C C4 1 0.55375978 0.30771389 0.82456407 1\n C C5 1 0.73267738 0.34842703 0.32645601 1\n C C6 1 0.05371186 0.80773721 0.82463099 1\n C C7 1 1.05401968 0.14039146 0.82439883 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47049000\n_cell_length_b 6.24215000\n_cell_length_c 6.57078000\n_cell_angle_alpha 87.34906000\n_cell_angle_beta 79.17229000\n_cell_angle_gamma 78.57108000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 97.54735479\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37829390 0.27545680 -0.22415886 1\n C C1 1 0.16355221 0.04443669 0.42905357 1\n C C2 1 1.03935572 0.28173694 0.44461003 1\n C C3 1 0.16979382 0.70482723 0.76807886 1\n C C4 1 0.54848217 0.36764191 0.34113974 1\n C C5 1 1.43082128 0.61375741 0.33442565 1\n C C6 1 0.43654220 1.05312465 0.88806002 1\n C C7 1 0.54697977 0.61646393 0.09768723 1\n C C8 1 0.88891937 0.35790679 0.67083909 1\n C C9 1 1.00381071 0.92046253 -0.11403710 1\n C C10 1 0.76291248 0.62203946 0.66482087 1\n C C11 1 -0.32211484 0.35258493 0.10447628 1\n C C12 1 -0.16296643 0.70077357 0.43504072 1\n C C13 1 0.26988693 0.26539093 1.00895399 1\n C C14 1 0.05219677 0.70282032 1.00047625 1\n C C15 1 0.71788244 -0.06083431 0.42569748 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52776000\n_cell_length_b 4.29549000\n_cell_length_c 4.87520000\n_cell_angle_alpha 108.08807000\n_cell_angle_beta 71.14121000\n_cell_angle_gamma 85.09675000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.59039451\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23461730 0.76627812 0.80943782 1\n C C1 1 0.85594866 0.95880326 0.13148080 1\n C C2 1 0.27036669 0.17462722 0.25065151 1\n C C3 1 0.31349800 0.87765565 0.58263654 1\n C C4 1 0.69334323 0.68545464 0.26098376 1\n C C5 1 0.45651978 0.41250974 0.78176318 1\n C C6 1 0.09271209 0.23064231 0.60856705 1\n C C7 1 0.27927846 0.46975507 0.14112412 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48765000\n_cell_length_b 4.30392000\n_cell_length_c 4.30441000\n_cell_angle_alpha 109.47278000\n_cell_angle_beta 90.00210000\n_cell_angle_gamma 90.00754000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.44968712\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30469998 0.54378500 0.99280349 1\n C C1 1 0.80462237 0.54368076 0.49281254 1\n C C2 1 0.80474038 0.66878467 0.86777292 1\n C C3 1 0.80469998 0.04378500 -0.00719651 1\n C C4 1 0.30474038 0.16878467 0.86777292 1\n C C5 1 0.80466277 0.16868042 0.36778198 1\n C C6 1 0.30466277 0.66868042 0.36778198 1\n C C7 1 0.30462237 0.04368076 0.49281254 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51561000\n_cell_length_b 6.07070000\n_cell_length_c 4.84371000\n_cell_angle_alpha 112.96242000\n_cell_angle_beta 101.71386000\n_cell_angle_gamma 110.57653000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.59048041\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.21555604 0.15359980 0.00133676 1\n C C1 1 0.48598608 0.32967431 0.14042754 1\n C C2 1 0.71481909 0.77879489 0.53550018 1\n C C3 1 0.44937100 0.09671529 0.41388177 1\n C C4 1 0.57811674 0.59595247 0.18601775 1\n C C5 1 0.58369062 0.70381403 -0.00091041 1\n C C6 1 0.43232805 0.96593322 0.63432487 1\n C C7 1 0.73953355 0.39456248 0.49861533 1\n C C8 1 0.46618143 0.57006399 0.65116674 1\n C C9 1 0.76933348 0.99567962 0.18840167 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43075000\n_cell_length_b 6.13428000\n_cell_length_c 5.93497000\n_cell_angle_alpha 57.43510000\n_cell_angle_beta 78.21960000\n_cell_angle_gamma 89.92495000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.37666933\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78843793 0.24710902 0.01475388 1\n C C1 1 0.92328324 -0.01853529 0.74655352 1\n C C2 1 0.38829619 1.04703268 0.81488810 1\n C C3 1 0.52638517 0.78180929 0.54607659 1\n C C4 1 0.59314467 0.64765289 0.41405005 1\n C C5 1 0.19126785 0.44743229 0.21431188 1\n C C6 1 0.12659674 0.58172809 0.34616721 1\n C C7 1 0.72384079 0.38133956 0.14668137 1\n C C8 1 -0.00876199 0.84733842 0.61448510 1\n C C9 1 0.32172521 0.18118344 -0.05309020 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51306000\n_cell_length_b 6.78876000\n_cell_length_c 5.97342000\n_cell_angle_alpha 131.30129000\n_cell_angle_beta 105.58885000\n_cell_angle_gamma 93.31186000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.74148913\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06482595 0.63211600 0.32019537 1\n C C1 1 0.14673918 0.99867853 0.32311550 1\n C C2 1 0.49197169 0.12031291 0.67847621 1\n C C3 1 0.16265096 0.29104598 0.85705429 1\n C C4 1 0.57135141 0.06886234 0.23035761 1\n C C5 1 0.36156553 0.89084055 0.65874394 1\n C C6 1 0.94703410 0.69167105 1.11491855 1\n C C7 1 0.46301411 0.45669175 0.22174842 1\n C C8 1 0.59173270 0.38348565 0.41711098 1\n C C9 1 0.21528403 0.54001758 0.65144859 1\n C C10 1 0.38617401 0.85803247 0.85745874 1\n C C11 1 0.29544511 0.54389341 0.90903240 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48520000\n_cell_length_b 5.12541000\n_cell_length_c 5.12657000\n_cell_angle_alpha 66.68062000\n_cell_angle_beta 89.98290000\n_cell_angle_gamma 90.00037000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.96631186\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92178908 1.04354126 0.16766862 1\n C C1 1 -0.07839783 0.18083364 0.61190579 1\n C C2 1 0.42165760 0.72272252 0.57861287 1\n C C3 1 0.92169504 0.73097626 0.39171065 1\n C C4 1 0.42170284 0.45474998 0.84680862 1\n C C5 1 0.42167715 0.14123753 0.26497338 1\n C C6 1 0.42159475 0.02968560 0.57527605 1\n C C7 1 -0.07832532 0.26770061 0.85492890 1\n C C8 1 0.42165122 0.45151524 0.15363214 1\n C C9 1 0.92152047 0.48806036 0.30467178 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48898000\n_cell_length_b 2.48769000\n_cell_length_c 6.57862000\n_cell_angle_alpha 79.09911000\n_cell_angle_beta 67.76283000\n_cell_angle_gamma 59.95612000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.63818947\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20996075 0.32842383 0.86929750 1\n C C1 1 0.95973072 0.66185697 0.45275223 1\n C C2 1 0.20996075 0.66175717 0.20263084 1\n C C3 1 0.20996075 0.99509050 0.53596417 1\n C C4 1 0.95973072 0.32852363 0.11941890 1\n C C5 1 -0.04026928 -0.00480970 0.78608556 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.76248000\n_cell_length_b 5.57146000\n_cell_length_c 3.41268000\n_cell_angle_alpha 84.04676000\n_cell_angle_beta 105.05717000\n_cell_angle_gamma 121.27205000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.00337319\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11454917 0.42675812 0.36190095 1\n C C1 1 1.08428829 0.80655978 0.74048415 1\n C C2 1 0.52152872 0.42703515 0.36059682 1\n C C3 1 0.24943388 0.65903860 0.58966419 1\n C C4 1 0.32170133 0.04727317 0.98135389 1\n C C5 1 0.78604580 0.19626800 0.13409362 1\n C C6 1 0.62087440 0.65774767 0.58804454 1\n C C7 1 0.15716614 0.19506241 0.13230375 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48178000\n_cell_length_b 3.68887000\n_cell_length_c 4.21793000\n_cell_angle_alpha 75.09659000\n_cell_angle_beta 90.03591000\n_cell_angle_gamma 70.33765000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97861865\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31734875 0.63476810 0.78564416 1\n C C1 1 0.86517847 0.54562045 0.29039693 1\n C C2 1 0.44333895 0.38933707 0.15948239 1\n C C3 1 0.89590686 0.47745552 0.65522222 1\n C C4 1 0.11984585 0.03163373 0.86186183 1\n C C5 1 0.64006542 -0.00841156 0.08408357 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42930000\n_cell_length_b 4.02466000\n_cell_length_c 9.38299000\n_cell_angle_alpha 92.05027000\n_cell_angle_beta 98.50293000\n_cell_angle_gamma 125.62678000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.89516879\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25856296 0.68650828 0.51576324 1\n C C1 1 0.92340545 0.21800358 0.78286667 1\n C C2 1 0.25745019 0.08527632 0.71606956 1\n C C3 1 -0.07613777 0.81828467 0.58280757 1\n C C4 1 0.25889515 0.48669274 0.91575201 1\n C C5 1 0.26071030 0.28856943 0.31529294 1\n C C6 1 0.92683367 0.02134920 0.18207290 1\n C C7 1 0.26076811 -0.11138534 0.11527719 1\n C C8 1 0.92519035 0.61982918 -0.01755331 1\n C C9 1 0.92567678 0.42026533 0.38232494 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42691000\n_cell_length_b 6.02435000\n_cell_length_c 6.13649000\n_cell_angle_alpha 133.36274000\n_cell_angle_beta 78.43578000\n_cell_angle_gamma 78.58909000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.37084393\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62547153 0.31473450 0.36447997 1\n C C1 1 0.62624668 0.85048993 0.82428634 1\n C C2 1 0.56117388 0.67791041 0.12119199 1\n C C3 1 0.33120466 0.81649223 0.44130306 1\n C C4 1 0.72903658 0.87152180 0.59159768 1\n C C5 1 0.16450568 0.62204380 0.97035582 1\n C C6 1 0.27518136 0.64039612 0.73541550 1\n C C7 1 0.27937204 0.17653420 0.19484723 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45539000\n_cell_length_b 4.14761000\n_cell_length_c 6.98409000\n_cell_angle_alpha 90.36793000\n_cell_angle_beta 79.87399000\n_cell_angle_gamma 90.02650000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.01661775\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60110050 0.88068165 0.50086248 1\n C C1 1 0.42391481 0.62428543 0.84540837 1\n C C2 1 0.97168691 0.62461516 0.74944604 1\n C C3 1 0.78710015 0.19518627 0.12332825 1\n C C4 1 0.79805862 0.88004469 0.09466021 1\n C C5 1 0.13979036 0.37136420 0.41855129 1\n C C6 1 0.31349808 0.69195768 0.06339214 1\n C C7 1 0.26202667 0.37180710 0.17446297 1\n C C8 1 0.61595470 0.19436882 0.46809964 1\n C C9 1 0.08424529 0.69283879 0.53255390 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48688000\n_cell_length_b 4.53333000\n_cell_length_c 6.31650000\n_cell_angle_alpha 86.49654000\n_cell_angle_beta 78.64601000\n_cell_angle_gamma 74.08665000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.14011562\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87961857 0.60668239 0.40113102 1\n C C1 1 0.86946466 -0.01744386 1.04666760 1\n C C2 1 1.08080420 0.24946764 0.35400365 1\n C C3 1 0.65372304 0.60466715 0.85429689 1\n C C4 1 -0.04326205 0.68528539 0.16681633 1\n C C5 1 0.57504580 0.52573391 0.08860806 1\n C C6 1 1.07152984 0.05885522 0.56282601 1\n C C7 1 0.45996920 0.15245707 0.69339693 1\n C C8 1 0.45239591 0.96174644 0.90163500 1\n C C9 1 0.66419298 0.22830631 0.20855116 1\n C C10 1 0.27314976 0.70024033 0.52201688 1\n C C11 1 0.26195799 0.51101441 0.73317427 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41346000\n_cell_length_b 3.57771000\n_cell_length_c 8.59174000\n_cell_angle_alpha 85.27649000\n_cell_angle_beta 90.01561000\n_cell_angle_gamma 109.77230000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.54582238\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12711067 0.82468438 0.86892446 1\n C C1 1 0.15811654 0.39871371 0.39086299 1\n C C2 1 0.54794016 0.17868216 0.46333622 1\n C C3 1 0.49466119 0.07112747 0.63250438 1\n C C4 1 0.46689114 1.01306413 0.21115493 1\n C C5 1 0.33655356 0.75141833 0.94714056 1\n C C6 1 0.29593008 0.67085671 0.11581135 1\n C C7 1 -0.04586182 0.98866388 0.70847365 1\n C C8 1 1.10699324 0.29057913 0.21315797 1\n C C9 1 0.37326356 0.82650130 0.37236908 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47515000\n_cell_length_b 4.24984000\n_cell_length_c 3.72173000\n_cell_angle_alpha 116.02117000\n_cell_angle_beta 90.05759000\n_cell_angle_gamma 89.97485000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18038864\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51117253 0.20606186 0.59312543 1\n C C1 1 0.51129009 0.48380933 0.43613801 1\n C C2 1 1.01117919 0.98317059 0.39001822 1\n C C3 1 0.51183260 0.20581195 0.00159644 1\n C C4 1 0.01155844 0.98297062 0.98136934 1\n C C5 1 1.01120285 0.70509964 0.54627016 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48136000\n_cell_length_b 3.68867000\n_cell_length_c 4.89473000\n_cell_angle_alpha 67.04212000\n_cell_angle_beta 59.51623000\n_cell_angle_gamma 70.34791000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00506338\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60926302 1.03851182 0.73115320 1\n C C1 1 0.92367953 0.55498646 0.15944340 1\n C C2 1 -0.09390173 0.00041760 0.95334042 1\n C C3 1 0.59355792 0.48366285 0.52471605 1\n C C4 1 0.88376251 0.64081920 0.65572299 1\n C C5 1 0.63260415 0.39866078 0.02850664 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.77957000\n_cell_length_b 4.81588000\n_cell_length_c 3.63857000\n_cell_angle_alpha 112.37243000\n_cell_angle_beta 94.74423000\n_cell_angle_gamma 98.34687000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.05340165\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21066237 0.32912148 0.87424968 1\n C C1 1 1.21467607 0.82899735 0.93475077 1\n C C2 1 0.21149735 0.13815409 0.08813636 1\n C C3 1 0.21549345 0.63787326 0.14829582 1\n C C4 1 0.21021065 0.32922891 0.49262549 1\n C C5 1 0.21602621 0.63800901 0.53023348 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29985000\n_cell_length_b 4.83292000\n_cell_length_c 4.21903000\n_cell_angle_alpha 89.95303000\n_cell_angle_beta 129.91445000\n_cell_angle_gamma 102.22885000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.61078210\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02634251 0.54436002 0.45251472 1\n C C1 1 0.02535767 0.54435248 0.12650032 1\n C C2 1 0.90232858 0.28640247 0.89043140 1\n C C3 1 0.77780687 1.00204403 -0.01615501 1\n C C4 1 0.90133636 0.28638398 0.56455534 1\n C C5 1 0.14976069 0.82870170 1.03321705 1\n C C6 1 0.77794413 1.00217445 0.34702222 1\n C C7 1 0.14963138 0.82862728 0.66967426 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48116000\n_cell_length_b 3.68921000\n_cell_length_c 4.21756000\n_cell_angle_alpha 75.28208000\n_cell_angle_beta 90.00505000\n_cell_angle_gamma 109.63425000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01336620\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65863166 0.04568257 0.51514025 1\n C C1 1 0.33889161 0.40616138 0.81236995 1\n C C2 1 0.88079167 0.49075586 0.30884958 1\n C C3 1 0.91734631 0.56298162 0.94339464 1\n C C4 1 0.13950631 1.00805490 0.73710397 1\n C C5 1 0.45924636 0.64757609 0.43987427 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45107000\n_cell_length_b 5.45500000\n_cell_length_c 5.44782000\n_cell_angle_alpha 65.67315000\n_cell_angle_beta 64.27499000\n_cell_angle_gamma 89.62173000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.46424878\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63160387 0.17599678 0.06194812 1\n C C1 1 0.08288170 0.55819489 0.10752721 1\n C C2 1 0.97245222 0.31813635 0.72759483 1\n C C3 1 0.15936419 0.17455137 0.53743360 1\n C C4 1 0.42968019 0.71194147 0.76385020 1\n C C5 1 0.40194779 0.88424594 0.28146874 1\n C C6 1 0.56082431 0.50703176 0.63252315 1\n C C7 1 0.07949162 0.88316149 0.60735492 1\n C C8 1 0.89240153 0.71366932 0.29521290 1\n C C9 1 0.49170228 0.36362703 0.20552162 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28844000\n_cell_length_b 4.76555000\n_cell_length_c 10.40119000\n_cell_angle_alpha 92.14296000\n_cell_angle_beta 69.39992000\n_cell_angle_gamma 113.95104000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 138.37582966\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.35695407 0.35156576 0.16006926 1\n C C1 1 -0.08765866 0.67209325 1.09005091 1\n C C2 1 0.93512987 0.27549640 0.83316004 1\n C C3 1 0.65262151 0.60316311 0.53711001 1\n C C4 1 0.90966711 0.17905319 0.16892870 1\n C C5 1 1.00044563 0.07598761 0.39428042 1\n C C6 1 0.53018714 0.30574009 0.59359988 1\n C C7 1 0.97684458 0.76005770 0.39743158 1\n C C8 1 0.58985509 1.10025261 0.95684682 1\n C C9 1 1.17990020 0.30954811 0.27738930 1\n C C10 1 0.49811186 0.81524953 0.60782455 1\n C C11 1 0.62363080 0.84486208 0.16833319 1\n C C12 1 0.94325683 0.58746320 0.83791098 1\n C C13 1 0.39725096 0.27940058 1.05225976 1\n C C14 1 0.20317390 0.14994488 0.72779292 1\n C C15 1 0.23920712 0.64281211 0.29447632 1\n C C16 1 0.43870949 0.81236285 1.03397510 1\n C C17 1 0.66733408 0.60094614 0.97986016 1\n C C18 1 0.70736176 0.09637876 0.52186446 1\n C C19 1 0.18471862 0.83634735 0.73673943 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48449000\n_cell_length_b 4.67945000\n_cell_length_c 4.08615000\n_cell_angle_alpha 83.33288000\n_cell_angle_beta 89.99749000\n_cell_angle_gamma 74.55201000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45619132\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20061899 0.26319026 0.60888152 1\n C C1 1 0.48513247 0.69006582 0.84683427 1\n C C2 1 0.81225965 0.03371465 1.13992525 1\n C C3 1 0.02917185 0.60397099 0.67692963 1\n C C4 1 0.31366609 0.03101586 0.91507338 1\n C C5 1 0.70136457 0.26139832 0.38201877 1\n C C6 1 0.54280413 0.57520241 0.20275979 1\n C C7 1 0.96956386 0.72002369 0.32144859 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48212000\n_cell_length_b 3.66856000\n_cell_length_c 5.56937000\n_cell_angle_alpha 109.21368000\n_cell_angle_beta 102.90581000\n_cell_angle_gamma 90.00758000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.52939701\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76731091 0.70733483 0.22349941 1\n C C1 1 0.53247059 0.47581015 0.75715545 1\n C C2 1 0.26765381 0.46952506 0.22396535 1\n C C3 1 -0.07992563 0.86374337 0.53280773 1\n C C4 1 0.42037570 0.62582684 0.53327977 1\n C C5 1 1.15084281 1.09557757 0.99933675 1\n C C6 1 0.03253649 0.23739844 -0.24283421 1\n C C7 1 0.65072962 -0.14286336 -0.00084576 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48730000\n_cell_length_b 4.78394000\n_cell_length_c 6.28392000\n_cell_angle_alpha 112.38664000\n_cell_angle_beta 78.61580000\n_cell_angle_gamma 90.00622000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.54462084\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73685089 0.78571280 0.76513856 1\n C C1 1 0.07983410 0.68430019 0.08493336 1\n C C2 1 0.73744807 0.26293586 0.76516239 1\n C C3 1 0.43283887 0.15746896 0.38475560 1\n C C4 1 0.65661367 0.10673693 0.92994662 1\n C C5 1 0.08608034 0.17878675 0.07332110 1\n C C6 1 0.00587987 0.02226882 0.23788553 1\n C C7 1 0.31028607 0.77426240 0.61836059 1\n C C8 1 1.00532828 0.49939123 0.23828522 1\n C C9 1 0.43221162 0.51069708 0.38521500 1\n C C10 1 0.31099892 0.12732442 0.61815020 1\n C C11 1 0.66170612 0.60112495 0.91863324 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31081000\n_cell_length_b 4.89421000\n_cell_length_c 5.24554000\n_cell_angle_alpha 98.13173000\n_cell_angle_beta 120.70356000\n_cell_angle_gamma 89.88731000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.10106339\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65060320 0.68096671 0.60251907 1\n C C1 1 0.11601654 0.70430948 0.09300537 1\n C C2 1 0.85542977 0.93379595 1.06211884 1\n C C3 1 0.25716526 0.32231256 0.85014341 1\n C C4 1 0.54472445 -0.07717503 0.74055726 1\n C C5 1 0.99596294 0.55135328 0.82054929 1\n C C6 1 0.89488497 0.13581587 0.29702633 1\n C C7 1 0.21982881 0.12125370 0.61522195 1\n C C8 1 0.56906502 0.33399059 0.17198852 1\n C C9 1 0.46488016 0.57575428 0.31092407 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47726000\n_cell_length_b 4.14539000\n_cell_length_c 6.07631000\n_cell_angle_alpha 85.41439000\n_cell_angle_beta 78.18253000\n_cell_angle_gamma 90.00563000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.87216886\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67277795 0.57375785 0.09100307 1\n C C1 1 0.78722933 0.76398032 0.86413974 1\n C C2 1 -0.08577391 0.80014621 0.60247814 1\n C C3 1 0.11699735 0.70467222 0.20192287 1\n C C4 1 1.15595355 0.06258704 0.12097512 1\n C C5 1 0.62367997 0.23179330 0.18595979 1\n C C6 1 0.28279936 0.97415761 0.87302360 1\n C C7 1 0.49511741 0.31945624 0.44086220 1\n C C8 1 0.99378532 0.53769121 0.44358090 1\n C C9 1 0.41527957 0.01983930 0.60072636 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46130000\n_cell_length_b 3.35483000\n_cell_length_c 4.91400000\n_cell_angle_alpha 102.47647000\n_cell_angle_beta 65.42586000\n_cell_angle_gamma 75.53013000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.28834679\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.29649342 0.43919699 0.78316670 1\n C C1 1 0.52525037 0.77853347 0.46139184 1\n C C2 1 0.67825426 0.19305120 0.01708785 1\n C C3 1 0.96728293 0.29872082 0.22784780 1\n C C4 1 0.94407971 0.05180752 0.46128957 1\n C C5 1 0.12216586 0.71265569 0.78322255 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63879000\n_cell_length_b 4.05623000\n_cell_length_c 3.33281000\n_cell_angle_alpha 80.97197000\n_cell_angle_beta 91.55937000\n_cell_angle_gamma 64.74770000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.69471658\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01819295 0.88160486 0.17940327 1\n C C1 1 0.13518696 0.57469228 0.48903760 1\n C C2 1 0.54097440 0.38295585 0.68125612 1\n C C3 1 -0.07848668 0.38279364 0.68147611 1\n C C4 1 1.19526881 1.07375959 0.98707110 1\n C C5 1 0.57599445 0.07312558 -0.01284551 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45422000\n_cell_length_b 5.64563000\n_cell_length_c 6.90470000\n_cell_angle_alpha 122.58568000\n_cell_angle_beta 85.67418000\n_cell_angle_gamma 93.27908000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.36407929\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58426928 0.02951918 0.29279033 1\n C C1 1 0.09404801 0.63183467 0.01641430 1\n C C2 1 0.07909107 0.47123990 0.30656917 1\n C C3 1 0.46450862 0.90231028 0.59619352 1\n C C4 1 0.01353679 0.78336865 0.43297660 1\n C C5 1 0.59533899 0.34769731 0.14951213 1\n C C6 1 0.59082467 0.29231234 0.52754916 1\n C C7 1 0.11014994 0.45373323 0.52677118 1\n C C8 1 0.58766279 0.44225239 -0.04056931 1\n C C9 1 1.06217608 -0.13657767 0.26572702 1\n C C10 1 0.54432112 0.21266521 0.70800754 1\n C C11 1 0.62066024 1.03999163 0.07494179 1\n C C12 1 0.14318834 0.85795296 0.94616707 1\n C C13 1 0.23731377 0.74925592 0.70736482 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49915000\n_cell_length_b 4.26042000\n_cell_length_c 4.83646000\n_cell_angle_alpha 68.70507000\n_cell_angle_beta 90.03366000\n_cell_angle_gamma 90.00573000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.97989000\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59329409 0.59946073 0.20774912 1\n C C1 1 1.09348353 0.16527735 0.15334646 1\n C C2 1 0.59303660 0.64383038 -0.13277288 1\n C C3 1 1.09300653 0.45910523 0.84190157 1\n C C4 1 0.09322019 0.22994065 0.66159510 1\n C C5 1 0.09337796 0.39483222 0.33318408 1\n C C6 1 0.59348858 -0.01922442 0.12759605 1\n C C7 1 0.59327582 1.02526607 0.78689700 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43048000\n_cell_length_b 6.13423000\n_cell_length_c 6.06614000\n_cell_angle_alpha 120.27998000\n_cell_angle_beta 105.79405000\n_cell_angle_gamma 94.18702000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.70806280\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22969965 0.61973783 0.81405793 1\n C C1 1 0.43279520 0.22059274 0.21502946 1\n C C2 1 0.96507057 0.15369701 1.28195576 1\n C C3 1 0.56269823 -0.04677915 0.48128543 1\n C C4 1 0.36612911 0.35417513 1.08251525 1\n C C5 1 0.16207184 0.75311400 0.68131330 1\n C C6 1 0.62881356 0.81963083 0.61383260 1\n C C7 1 0.76443074 0.55381228 -0.11788898 1\n C C8 1 0.83235828 0.42052482 1.01488529 1\n C C9 1 0.03061662 0.02012242 0.41440835 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48118000\n_cell_length_b 3.68942000\n_cell_length_c 4.21533000\n_cell_angle_alpha 75.26279000\n_cell_angle_beta 90.02864000\n_cell_angle_gamma 70.35199000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98822516\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78139331 0.32760682 0.20022722 1\n C C1 1 0.55707566 0.77288722 0.99407927 1\n C C2 1 0.10328624 0.68754338 0.49794166 1\n C C3 1 0.30056340 0.28973286 0.42278876 1\n C C4 1 0.52494470 0.84445353 0.62897177 1\n C C5 1 0.97887909 0.92950519 0.12522942 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45034000\n_cell_length_b 5.68356000\n_cell_length_c 4.38822000\n_cell_angle_alpha 82.42501000\n_cell_angle_beta 106.26050000\n_cell_angle_gamma 90.01174000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.11333583\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73510586 0.96560356 0.60652109 1\n C C1 1 0.22032582 0.60459751 0.57601069 1\n C C2 1 0.29722924 0.81929907 0.72975117 1\n C C3 1 1.06297216 0.36792288 0.26358637 1\n C C4 1 0.47793776 0.77264408 0.09085514 1\n C C5 1 0.54800879 0.00687043 0.23278496 1\n C C6 1 0.80570768 0.19986114 0.74884197 1\n C C7 1 -0.01402248 0.15264266 0.10973703 1\n C C8 1 0.24112611 0.33877885 0.61965691 1\n C C9 1 1.04322345 0.63383142 0.22020698 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42835000\n_cell_length_b 3.35646000\n_cell_length_c 6.32702000\n_cell_angle_alpha 121.11991000\n_cell_angle_beta 96.71414000\n_cell_angle_gamma 94.16900000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.30433881\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03858050 0.67117648 0.82676371 1\n C C1 1 0.59409927 0.89235292 0.93849269 1\n C C2 1 0.26076593 0.55901959 0.27182603 1\n C C3 1 0.92743260 0.22568626 0.60515936 1\n C C4 1 0.70524717 0.33784314 0.16009704 1\n C C5 1 0.37191383 1.00450981 0.49343037 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.00875000\n_cell_length_b 2.42810000\n_cell_length_c 5.98060000\n_cell_angle_alpha 98.96380000\n_cell_angle_beta 95.72021000\n_cell_angle_gamma 95.59448000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.65819618\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40408826 1.00630218 0.13902579 1\n C C1 1 0.96204135 0.78347473 0.69319320 1\n C C2 1 0.73712107 0.67296125 0.47239554 1\n C C3 1 0.29550255 0.45015177 1.02652505 1\n C C4 1 1.07089712 0.33964910 0.80567755 1\n C C5 1 0.62847616 0.11680017 0.35989587 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31255000\n_cell_length_b 3.39590000\n_cell_length_c 5.86954000\n_cell_angle_alpha 63.98484000\n_cell_angle_beta 80.86354000\n_cell_angle_gamma 87.44940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.56065392\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10940956 0.11472382 0.42850421 1\n C C1 1 0.98856945 0.36829476 -0.00100327 1\n C C2 1 0.32202717 0.67971657 0.00035234 1\n C C3 1 0.69616934 0.64949446 0.83076105 1\n C C4 1 -0.09484639 0.09418439 0.68082723 1\n C C5 1 0.41642269 0.49546477 0.27436020 1\n C C6 1 0.46279843 0.77035563 0.41248273 1\n C C7 1 0.56941708 0.43427396 0.67454828 1\n C C8 1 0.77476202 0.16370386 0.27443471 1\n C C9 1 0.19477525 0.13720118 0.84827492 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48724000\n_cell_length_b 4.69508000\n_cell_length_c 5.29240000\n_cell_angle_alpha 47.49334000\n_cell_angle_beta 89.99077000\n_cell_angle_gamma 89.98960000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.56149477\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35436482 0.59268418 -0.02076288 1\n C C1 1 0.85433751 0.08231688 0.44541398 1\n C C2 1 0.85421650 0.58109961 0.41375952 1\n C C3 1 0.85415309 0.50623541 0.18051420 1\n C C4 1 0.85449586 1.00721981 0.21238905 1\n C C5 1 0.35465009 0.23761157 -0.01270503 1\n C C6 1 0.35438487 0.99575412 0.64665999 1\n C C7 1 0.35439755 0.35062751 0.63880196 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44967000\n_cell_length_b 3.36582000\n_cell_length_c 8.12979000\n_cell_angle_alpha 68.32076000\n_cell_angle_beta 107.55676000\n_cell_angle_gamma 111.29004000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.94228838\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32263028 0.87762173 0.80395862 1\n C C1 1 0.64449782 0.76189986 0.18279204 1\n C C2 1 0.75030115 0.58857035 0.37534775 1\n C C3 1 0.29989925 0.50618102 0.46704740 1\n C C4 1 0.42608099 0.36313351 0.66330697 1\n C C5 1 1.09533050 0.84519448 0.09075652 1\n C C6 1 0.06936146 0.46788774 0.75480639 1\n C C7 1 0.96682455 0.98419811 0.89461421 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.53740000\n_cell_length_b 5.57233000\n_cell_length_c 5.35027000\n_cell_angle_alpha 91.47880000\n_cell_angle_beta 82.00855000\n_cell_angle_gamma 100.68229000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 102.62811115\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94172313 0.15167492 -0.07351355 1\n C C1 1 0.78875054 0.58894660 0.95317978 1\n C C2 1 0.31493989 0.47848114 0.66449342 1\n C C3 1 1.04481377 0.54502000 0.50820958 1\n C C4 1 0.71077600 0.88186378 0.56634248 1\n C C5 1 0.34064803 0.24466539 0.24373118 1\n C C6 1 0.38424114 0.47919111 0.09849623 1\n C C7 1 0.59022209 0.07758371 0.12820569 1\n C C8 1 0.13801991 0.28145446 0.49733345 1\n C C9 1 0.09174793 0.42281797 0.91647189 1\n C C10 1 0.70596664 0.63120124 0.67448871 1\n C C11 1 0.90215982 0.08744483 0.65772386 1\n C C12 1 0.62113040 0.86205565 0.29814577 1\n C C13 1 0.19667303 1.03024952 0.05853779 1\n C C14 1 0.96999216 0.78619497 0.14005768 1\n C C15 1 0.24636662 0.67256029 0.27445233 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46229000\n_cell_length_b 3.38925000\n_cell_length_c 5.83800000\n_cell_angle_alpha 102.10451000\n_cell_angle_beta 114.94415000\n_cell_angle_gamma 68.71537000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.06957792\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92742238 0.87881781 0.43125409 1\n C C1 1 0.68581652 0.81004165 0.15581352 1\n C C2 1 0.83298405 0.70982862 0.75411775 1\n C C3 1 0.45782181 0.06829126 0.55710618 1\n C C4 1 0.30088374 0.52198623 0.62800958 1\n C C5 1 0.07426800 0.77829652 0.02924987 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39746000\n_cell_length_b 3.39718000\n_cell_length_c 10.13764000\n_cell_angle_alpha 85.65636000\n_cell_angle_beta 85.66675000\n_cell_angle_gamma 91.60955000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 116.26957795\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06410085 0.30824692 0.42879414 1\n C C1 1 0.31798346 0.19244362 0.21135956 1\n C C2 1 0.37810652 -0.23012902 0.90332736 1\n C C3 1 0.19206486 -0.25892538 0.04554754 1\n C C4 1 0.12310900 0.99757135 0.34129650 1\n C C5 1 0.86285866 0.72530106 0.72631044 1\n C C6 1 0.43852821 0.81072486 0.42117755 1\n C C7 1 0.65555727 0.52379990 0.21143760 1\n C C8 1 1.21206626 0.58019634 0.64664085 1\n C C9 1 0.26122713 0.45802223 0.50648582 1\n C C10 1 0.06992993 -0.02862085 0.81798933 1\n C C11 1 0.57408296 0.12523502 0.50768428 1\n C C12 1 -0.14011305 1.05201466 0.04690867 1\n C C13 1 0.00826421 0.37793332 0.12445834 1\n C C14 1 0.79135652 0.65952505 0.34122703 1\n C C15 1 0.50617238 0.87551391 1.13159418 1\n C C16 1 0.34571542 0.24759955 0.73442471 1\n C C17 1 0.59104839 0.45223815 0.82724020 1\n C C18 1 0.73769041 0.10168068 0.90673645 1\n C C19 1 0.54385419 0.93746173 0.64977844 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48110000\n_cell_length_b 3.68829000\n_cell_length_c 4.21778000\n_cell_angle_alpha 75.27564000\n_cell_angle_beta 89.95444000\n_cell_angle_gamma 70.38808000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01223782\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30132474 0.66270282 1.05549409 1\n C C1 1 1.07991590 0.10782106 0.84906815 1\n C C2 1 0.50184289 0.26428608 -0.01971865 1\n C C3 1 1.04388286 0.17980254 0.48366034 1\n C C4 1 0.62252342 0.02271013 0.35282658 1\n C C5 1 0.82021409 0.62505577 0.27734659 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48234000\n_cell_length_b 6.72841000\n_cell_length_c 8.68421000\n_cell_angle_alpha 92.00800000\n_cell_angle_beta 106.60789000\n_cell_angle_gamma 100.63965000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 136.00992833\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04566609 0.30297268 0.41526368 1\n C C1 1 0.23344209 0.79059803 -0.04862534 1\n C C2 1 0.81022044 0.45771139 0.69481548 1\n C C3 1 0.69873494 0.88066374 0.37206629 1\n C C4 1 -0.02470628 0.57639036 0.30246273 1\n C C5 1 0.12385212 0.42496421 0.02368267 1\n C C6 1 0.11985635 0.52496623 0.47060007 1\n C C7 1 -0.11700911 0.81578075 0.58725421 1\n C C8 1 1.04951075 1.06652736 1.13053679 1\n C C9 1 0.43548738 0.51015464 0.79261455 1\n C C10 1 1.33296610 0.14138619 0.87460644 1\n C C11 1 0.51564146 0.87243019 0.69047520 1\n C C12 1 0.19424150 0.29389670 0.16006690 1\n C C13 1 0.81163971 0.35509829 0.24791000 1\n C C14 1 0.73876650 0.58784480 0.55844932 1\n C C15 1 0.60288020 0.74173039 0.84355011 1\n C C16 1 0.22979305 0.99865412 0.34468603 1\n C C17 1 0.49983198 0.37303865 0.92546122 1\n C C18 1 0.63975323 0.23120343 0.63849876 1\n C C19 1 0.29149129 0.65115344 0.07912232 1\n C C20 1 0.48663264 0.68609076 0.25890900 1\n C C21 1 0.41946109 0.01060240 1.02783007 1\n C C22 1 0.70113042 0.09258570 0.76653914 1\n C C23 1 0.44295364 0.19325987 0.45852236 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.87367000\n_cell_length_b 4.20100000\n_cell_length_c 4.69577000\n_cell_angle_alpha 65.21606000\n_cell_angle_beta 74.73115000\n_cell_angle_gamma 58.43972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.78402973\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46232796 0.87399429 0.75734798 1\n C C1 1 0.61944065 0.03182081 0.44777594 1\n C C2 1 0.67646069 0.47041093 -0.05225927 1\n C C3 1 1.02637607 0.81711272 0.25681276 1\n C C4 1 0.40530792 0.43540417 0.25738319 1\n C C5 1 0.05539253 1.08870239 -0.05168884 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48440000\n_cell_length_b 4.08883000\n_cell_length_c 11.45104000\n_cell_angle_alpha 115.90769000\n_cell_angle_beta 102.49413000\n_cell_angle_gamma 107.71632000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.01236396\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44201784 0.67356063 0.73549572 1\n C C1 1 0.57590548 0.99859224 0.70809120 1\n C C2 1 0.52777789 -0.23925901 0.27612947 1\n C C3 1 0.49417971 0.23123739 0.50840613 1\n C C4 1 0.54351444 0.46928386 0.94063453 1\n C C5 1 0.16664489 0.21969598 0.18636954 1\n C C6 1 0.02545461 0.51384359 0.39775188 1\n C C7 1 0.90314107 1.01039184 1.03027219 1\n C C8 1 0.15372183 -0.16494235 0.36562863 1\n C C9 1 0.91662502 0.39418086 0.85100230 1\n C C10 1 0.96996387 0.95534675 0.62355744 1\n C C11 1 0.38781694 1.09983850 0.97023751 1\n C C12 1 0.68259086 0.13006766 0.24652314 1\n C C13 1 0.04644164 0.71654342 0.81895531 1\n C C14 1 0.10084093 0.27506194 0.59318438 1\n C C15 1 -0.37018629 0.55706361 0.48116784 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.96088000\n_cell_length_b 3.63803000\n_cell_length_c 4.82034000\n_cell_angle_alpha 67.72345000\n_cell_angle_beta 110.77771000\n_cell_angle_gamma 110.31968000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.54358122\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60814696 0.40684894 0.69376474 1\n C C1 1 0.60579791 0.62077563 0.88572594 1\n C C2 1 -0.39678740 0.00144250 0.88475262 1\n C C3 1 0.61284240 0.56432044 0.38578566 1\n C C4 1 0.61689409 0.96943574 0.19471587 1\n C C5 1 0.61529743 0.35056745 0.19371616 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42646000\n_cell_length_b 4.98262000\n_cell_length_c 4.00442000\n_cell_angle_alpha 89.46015000\n_cell_angle_beta 66.48070000\n_cell_angle_gamma 94.46619000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.21374826\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88278975 0.56962859 0.30794972 1\n C C1 1 0.54868194 0.23549662 0.97626241 1\n C C2 1 0.21686245 0.90344687 0.64017294 1\n C C3 1 0.10528487 0.12541180 0.86456000 1\n C C4 1 0.43935758 0.45923009 0.19678321 1\n C C5 1 0.77346538 0.79336205 0.52847053 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60591000\n_cell_length_b 4.61976000\n_cell_length_c 3.67656000\n_cell_angle_alpha 113.40322000\n_cell_angle_beta 89.72732000\n_cell_angle_gamma 75.90722000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.14028971\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18097758 0.70451168 0.03660224 1\n C C1 1 0.35940429 0.38260848 0.37535156 1\n C C2 1 0.18113481 0.70479615 0.41191250 1\n C C3 1 0.06530204 -0.06255817 0.84123058 1\n C C4 1 0.47625102 0.14977482 0.94690846 1\n C C5 1 0.35990085 0.38227124 0.75030306 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51167000\n_cell_length_b 4.19012000\n_cell_length_c 4.11267000\n_cell_angle_alpha 119.40585000\n_cell_angle_beta 89.99242000\n_cell_angle_gamma 107.56384000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.37276722\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31762190 0.72321905 0.81299558 1\n C C1 1 0.51090985 0.11096830 0.52630075 1\n C C2 1 0.51136571 0.11136658 0.15741324 1\n C C3 1 0.12405378 0.33476316 0.76890647 1\n C C4 1 0.31704630 0.72254227 0.48216209 1\n C C5 1 1.12390516 0.33434124 1.13763687 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49100000\n_cell_length_b 2.48422000\n_cell_length_c 9.59655000\n_cell_angle_alpha 82.56089000\n_cell_angle_beta 74.40440000\n_cell_angle_gamma 89.98999000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.68017306\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07170865 0.52631850 0.54897308 1\n C C1 1 0.52693680 0.33346485 0.93518476 1\n C C2 1 0.62446362 0.88094398 0.83972809 1\n C C3 1 0.22392316 0.92986414 0.74329204 1\n C C4 1 0.13612243 0.14298744 0.31337979 1\n C C5 1 0.92642492 0.28524253 0.03156383 1\n C C6 1 0.01331689 0.06857054 0.46229184 1\n C C7 1 0.22088481 0.68761645 0.22635502 1\n C C8 1 1.32317075 0.47616779 0.64825643 1\n C C9 1 0.82503437 0.73637188 0.12721621 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43147000\n_cell_length_b 4.87300000\n_cell_length_c 4.87340000\n_cell_angle_alpha 73.02277000\n_cell_angle_beta 60.08146000\n_cell_angle_gamma 60.01668000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.27955762\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22187939 0.31030294 0.22101516 1\n C C1 1 -0.14119225 0.74213512 0.65258357 1\n C C2 1 0.14751044 0.80279129 0.30324067 1\n C C3 1 0.85853096 0.15234650 0.24250823 1\n C C4 1 0.93361918 0.65993243 0.16002024 1\n C C5 1 0.22255947 0.72051451 0.81054183 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44323000\n_cell_length_b 4.24633000\n_cell_length_c 9.06014000\n_cell_angle_alpha 108.89051000\n_cell_angle_beta 89.99775000\n_cell_angle_gamma 89.99553000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 88.93402408\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16132817 0.73173298 0.28875316 1\n C C1 1 0.16075163 0.66600690 0.11679530 1\n C C2 1 0.15783469 0.25177366 0.61268724 1\n C C3 1 0.65859896 0.90695876 0.85482215 1\n C C4 1 0.66054624 0.63253092 0.04025958 1\n C C5 1 0.66106864 0.93671961 0.35755947 1\n C C6 1 0.15678476 0.56878928 0.57842945 1\n C C7 1 0.65673149 0.72870917 0.57877047 1\n C C8 1 0.65912623 0.56570612 0.86824718 1\n C C9 1 0.16234845 0.39007821 0.30173791 1\n C C10 1 0.15891946 0.36064125 0.79956142 1\n C C11 1 0.65802601 1.04570017 0.54423914 1\n C C12 1 0.66232404 0.23430252 0.30594906 1\n C C13 1 0.15858742 1.06294915 0.85092617 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.95315000\n_cell_length_b 3.64092000\n_cell_length_c 4.81396000\n_cell_angle_alpha 112.20453000\n_cell_angle_beta 104.19494000\n_cell_angle_gamma 66.72416000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.74115231\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00888689 0.20703283 0.43635996 1\n C C1 1 0.00478548 0.61319326 0.62840067 1\n C C2 1 1.01105164 0.26413512 0.93570784 1\n C C3 1 1.01535150 0.64389280 -0.06322497 1\n C C4 1 0.00908324 -0.00741975 0.62901754 1\n C C5 1 0.01142185 0.04971775 0.12841496 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42709000\n_cell_length_b 4.15231000\n_cell_length_c 6.63779000\n_cell_angle_alpha 113.28492000\n_cell_angle_beta 100.56464000\n_cell_angle_gamma 90.00088000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.21062675\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84172128 0.70056505 0.82281595 1\n C C1 1 0.16823709 0.31400862 0.48103113 1\n C C2 1 0.14251717 -0.06308544 0.43893807 1\n C C3 1 0.94449615 0.00389475 1.02766760 1\n C C4 1 0.29074145 0.56213290 0.72045266 1\n C C5 1 0.49445151 0.14152267 0.13025515 1\n C C6 1 0.62962122 0.76477419 0.41122348 1\n C C7 1 0.61286783 0.38785376 0.36959715 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.24183000\n_cell_length_b 3.32461000\n_cell_length_c 4.63922000\n_cell_angle_alpha 70.20682000\n_cell_angle_beta 67.02912000\n_cell_angle_gamma 85.09146000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.59563567\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55875645 0.20508699 0.35573716 1\n C C1 1 0.81090605 0.81873134 0.95055951 1\n C C2 1 0.70241277 0.60341426 0.75806388 1\n C C3 1 0.28456263 0.44871572 0.54552494 1\n C C4 1 0.15306663 1.02792293 0.82728739 1\n C C5 1 0.42724707 0.78382877 0.63793810 1\n C C6 1 0.16488766 0.07483750 0.13220328 1\n C C7 1 0.54661146 0.15705655 0.05152275 1\n C C8 1 -0.09895624 0.41304640 0.23253697 1\n C C9 1 1.00892133 0.62735065 0.42590163 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48074000\n_cell_length_b 3.68678000\n_cell_length_c 4.83367000\n_cell_angle_alpha 57.52111000\n_cell_angle_beta 75.17882000\n_cell_angle_gamma 70.37554000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96881658\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13911602 0.24308935 0.66505851 1\n C C1 1 0.56085606 0.53045592 0.53434486 1\n C C2 1 0.10845747 0.94567884 1.02967045 1\n C C3 1 0.68675105 0.65811619 0.16040237 1\n C C4 1 0.36394918 0.00355106 0.45830702 1\n C C5 1 -0.11645258 0.18530554 0.23645499 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27365000\n_cell_length_b 3.27309000\n_cell_length_c 7.33044000\n_cell_angle_alpha 74.40709000\n_cell_angle_beta 74.40852000\n_cell_angle_gamma 80.79991000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.54478948\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.22430255 0.42548692 0.02838426 1\n C C1 1 0.39436659 0.59519481 0.64683013 1\n C C2 1 0.28638858 0.53250510 0.33766692 1\n C C3 1 0.72438582 -0.07443452 0.52838158 1\n C C4 1 0.03247920 0.95715714 0.64679595 1\n C C5 1 0.36292235 0.28709663 0.52833982 1\n C C6 1 0.46982438 0.34912297 0.83770359 1\n C C7 1 0.53236576 0.45705924 0.14678677 1\n C C8 1 0.86283997 0.78704420 0.02835335 1\n C C9 1 -0.03029185 0.84897277 0.33770588 1\n C C10 1 0.89426000 0.09506976 0.14682496 1\n C C11 1 0.78654614 0.03268726 0.83766469 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49353000\n_cell_length_b 3.95985000\n_cell_length_c 6.06698000\n_cell_angle_alpha 89.99255000\n_cell_angle_beta 101.86745000\n_cell_angle_gamma 89.99154000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.62496861\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70170303 0.13741354 0.23535179 1\n C C1 1 0.04490180 0.84724687 0.92626347 1\n C C2 1 -0.04549203 0.14466774 0.74679625 1\n C C3 1 0.27385015 0.53556784 0.37969457 1\n C C4 1 0.61738147 0.84757807 0.06921877 1\n C C5 1 0.95454251 0.55014405 0.74681724 1\n C C6 1 0.38792719 0.65985113 0.61484713 1\n C C7 1 0.38790445 1.03556460 0.61479890 1\n C C8 1 0.27382739 0.16033884 0.37960846 1\n C C9 1 0.70176815 0.55854882 0.23556303 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43242000\n_cell_length_b 4.81644000\n_cell_length_c 4.22669000\n_cell_angle_alpha 82.26189000\n_cell_angle_beta 73.27234000\n_cell_angle_gamma 75.35294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.77925900\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56646724 0.50523659 0.98476128 1\n C C1 1 0.41553593 0.44127948 0.35193871 1\n C C2 1 0.78601335 0.22942990 0.82372521 1\n C C3 1 0.95390616 0.25811087 0.45911879 1\n C C4 1 0.18151703 -0.02337314 0.28594074 1\n C C5 1 0.80144898 0.97038601 0.05059305 1\n C C6 1 0.19786295 0.71732467 0.51269467 1\n C C7 1 0.02943126 0.68856803 0.87751415 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47580000\n_cell_length_b 4.18402000\n_cell_length_c 5.39451000\n_cell_angle_alpha 112.81369000\n_cell_angle_beta 62.66572000\n_cell_angle_gamma 90.00951000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.66511658\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84884470 0.27363788 0.16667518 1\n C C1 1 0.49020933 0.45244799 0.52407099 1\n C C2 1 0.49136676 1.08146180 0.52356511 1\n C C3 1 -0.15119694 -0.09672150 0.16682802 1\n C C4 1 0.50368893 0.69563808 0.01194872 1\n C C5 1 0.83672572 1.02913732 0.67851284 1\n C C6 1 0.50405667 0.32599254 0.01166200 1\n C C7 1 0.83585273 0.66004039 0.67892254 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34229000\n_cell_length_b 5.94895000\n_cell_length_c 5.58903000\n_cell_angle_alpha 138.11946000\n_cell_angle_beta 103.33533000\n_cell_angle_gamma 89.51086000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.87095614\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34166480 0.77903607 0.50426804 1\n C C1 1 0.85500410 -0.11594641 0.14999408 1\n C C2 1 0.79585292 0.40060241 0.32453586 1\n C C3 1 0.41186508 0.30155528 0.80009746 1\n C C4 1 0.39760472 0.44321528 0.16587872 1\n C C5 1 0.02968413 0.96922932 0.48928431 1\n C C6 1 0.52503447 0.50880053 0.74984910 1\n C C7 1 0.60425581 0.19079882 0.34015547 1\n C C8 1 0.71947622 1.05618634 0.69562692 1\n C C9 1 0.20191053 0.67211880 0.67190110 1\n C C10 1 1.01101080 0.20362314 1.04279669 1\n C C11 1 1.16111393 -0.02753798 1.04845944 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.22702000\n_cell_length_b 4.28143000\n_cell_length_c 5.26087000\n_cell_angle_alpha 60.82291000\n_cell_angle_beta 76.71331000\n_cell_angle_gamma 60.60788000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.42327767\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83829373 0.82156526 1.12378381 1\n C C1 1 0.81857047 0.43254311 0.21967168 1\n C C2 1 0.15878645 0.14408197 0.13288056 1\n C C3 1 0.49807615 0.10971665 0.21093037 1\n C C4 1 -0.05827862 1.03452382 0.80000411 1\n C C5 1 0.30608342 0.42205577 0.54890269 1\n C C6 1 0.14206861 0.23197160 0.82186907 1\n C C7 1 0.35103616 0.83192933 0.79464736 1\n C C8 1 0.51533773 0.02195502 0.52214657 1\n C C9 1 0.71532154 0.22033277 0.54316598 1\n C C10 1 0.48455033 0.51974226 0.08780201 1\n C C11 1 0.17210943 0.73430363 0.25576549 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52557000\n_cell_length_b 3.28054000\n_cell_length_c 7.35401000\n_cell_angle_alpha 103.95726000\n_cell_angle_beta 101.22968000\n_cell_angle_gamma 84.13011000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.90075315\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33259046 0.91688920 0.32063588 1\n C C1 1 0.23229912 0.58693153 0.14120540 1\n C C2 1 0.94388270 0.50273504 0.50948965 1\n C C3 1 0.82214180 0.17548713 0.32057861 1\n C C4 1 0.62095570 0.00155147 0.95291589 1\n C C5 1 0.32828869 0.29746822 0.82384022 1\n C C6 1 0.23478172 0.20620909 0.63747362 1\n C C7 1 0.74314826 0.32866606 0.14129159 1\n C C8 1 0.39830686 0.78026535 0.50943923 1\n C C9 1 0.16620210 0.72378193 0.95290653 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31974000\n_cell_length_b 3.32318000\n_cell_length_c 4.33702000\n_cell_angle_alpha 90.45622000\n_cell_angle_beta 90.41167000\n_cell_angle_gamma 83.30217000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.51741269\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62099102 0.21072176 0.69420983 1\n C C1 1 0.70282115 0.58398524 0.86134731 1\n C C2 1 0.34928133 0.93601250 0.86121575 1\n C C3 1 0.97574569 0.85454906 0.69411928 1\n C C4 1 0.09792149 0.68680067 0.37859417 1\n C C5 1 0.37178067 0.95917891 0.21156802 1\n C C6 1 0.72451319 0.60550928 0.21144781 1\n C C7 1 0.45367504 0.33264558 0.37857333 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27543000\n_cell_length_b 3.26698000\n_cell_length_c 3.63697000\n_cell_angle_alpha 104.61023000\n_cell_angle_beta 104.65510000\n_cell_angle_gamma 80.85813000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.24636133\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78429536 0.19413658 0.95315783 1\n C C1 1 0.41165320 0.77725058 0.33497462 1\n C C2 1 0.99640512 0.40548967 0.71547357 1\n C C3 1 0.72918354 0.46137451 0.33438880 1\n C C4 1 0.35729836 0.04356381 0.71610014 1\n C C5 1 0.14616122 0.83292205 -0.04615676 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42942000\n_cell_length_b 3.92430000\n_cell_length_c 6.59941000\n_cell_angle_alpha 106.01945000\n_cell_angle_beta 68.15157000\n_cell_angle_gamma 90.13883000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.77460887\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96692361 0.26596969 0.64513870 1\n C C1 1 0.46692985 0.26591782 0.14519465 1\n C C2 1 0.54827602 0.09718506 0.56358042 1\n C C3 1 0.79830111 0.59716221 0.81358050 1\n C C4 1 0.71696014 0.76602316 0.39512234 1\n C C5 1 0.04826585 0.09710916 0.06365385 1\n C C6 1 0.29830876 0.59716355 0.31358121 1\n C C7 1 0.21693167 0.76598764 0.89515673 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46519000\n_cell_length_b 4.50708000\n_cell_length_c 8.58062000\n_cell_angle_alpha 118.28972000\n_cell_angle_beta 90.05448000\n_cell_angle_gamma 105.87735000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.78211158\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54767020 1.01985940 0.60236044 1\n C C1 1 0.35444429 0.63311784 0.21409959 1\n C C2 1 0.74304037 0.41156040 0.64007622 1\n C C3 1 0.53047643 0.98259791 0.76431311 1\n C C4 1 0.14810544 0.22622028 0.35559237 1\n C C5 1 0.74756863 0.42358191 0.46290302 1\n C C6 1 0.94780393 0.81936046 0.49285402 1\n C C7 1 0.28468619 0.49576634 1.01149725 1\n C C8 1 0.39787415 0.72739782 -0.05920073 1\n C C9 1 0.95344226 0.83155995 0.31612880 1\n C C10 1 0.58408624 0.09843251 0.06855260 1\n C C11 1 0.66685950 0.26172841 0.95016377 1\n C C12 1 0.16018028 1.25024554 0.18660582 1\n C C13 1 0.35011947 0.62304752 0.74781012 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27704000\n_cell_length_b 3.26183000\n_cell_length_c 3.62137000\n_cell_angle_alpha 75.78728000\n_cell_angle_beta 104.30823000\n_cell_angle_gamma 99.10140000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.16407352\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47279276 0.63987043 0.56143773 1\n C C1 1 0.32657130 0.06519256 0.32312668 1\n C C2 1 0.11164215 0.27853707 0.56072956 1\n C C3 1 0.73936941 0.69557032 0.94262941 1\n C C4 1 1.05746921 1.01140978 0.94191868 1\n C C5 1 0.68686207 0.42554185 0.32382274 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48666000\n_cell_length_b 4.06170000\n_cell_length_c 4.69430000\n_cell_angle_alpha 74.00111000\n_cell_angle_beta 90.04099000\n_cell_angle_gamma 90.01752000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.57629607\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22860289 0.80374981 0.14896069 1\n C C1 1 0.22869314 0.14407292 0.56649698 1\n C C2 1 0.22906302 0.15218096 0.91377969 1\n C C3 1 0.72857000 0.57807848 0.14431203 1\n C C4 1 0.22919321 0.81201128 0.49623747 1\n C C5 1 0.72876502 0.34520685 0.45185700 1\n C C6 1 0.72920396 0.61078020 0.61072206 1\n C C7 1 0.72903037 0.37707261 0.91909658 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47371000\n_cell_length_b 4.80343000\n_cell_length_c 4.80349000\n_cell_angle_alpha 52.92415000\n_cell_angle_beta 75.08266000\n_cell_angle_gamma 75.08225000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61444348\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02342482 0.30759703 0.03782391 1\n C C1 1 0.27308275 0.72448430 0.12094623 1\n C C2 1 0.58591623 0.41123558 0.80833312 1\n C C3 1 0.33556595 0.99483764 0.72474734 1\n C C4 1 0.52342482 0.80759703 0.53782391 1\n C C5 1 0.77308275 0.22448430 0.62094623 1\n C C6 1 0.08591623 -0.08876442 0.30833312 1\n C C7 1 0.83556595 0.49483764 0.22474734 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44253000\n_cell_length_b 4.80643000\n_cell_length_c 5.96311000\n_cell_angle_alpha 60.21114000\n_cell_angle_beta 78.25574000\n_cell_angle_gamma 75.28207000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.51220344\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54553346 0.53761766 0.51659952 1\n C C1 1 0.05698940 0.68407808 0.34235975 1\n C C2 1 -0.19463937 0.94660638 0.58720484 1\n C C3 1 0.08785925 0.09706468 0.88111268 1\n C C4 1 0.90444538 1.02470009 0.30992930 1\n C C5 1 0.33697862 0.51024780 -0.03228822 1\n C C6 1 0.91333622 0.28549656 0.04164289 1\n C C7 1 0.37290113 0.72250009 0.67956198 1\n C C8 1 0.63272867 0.17992762 0.70277021 1\n C C9 1 0.16832175 0.74138075 1.07351514 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48896000\n_cell_length_b 4.97396000\n_cell_length_c 4.30432000\n_cell_angle_alpha 89.98324000\n_cell_angle_beta 106.81969000\n_cell_angle_gamma 120.05828000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47005436\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00422602 0.07202455 0.62267057 1\n C C1 1 0.25434488 0.88492415 0.49767738 1\n C C2 1 0.00422602 0.82202455 0.12267057 1\n C C3 1 0.00422602 0.57202455 0.62267057 1\n C C4 1 1.00422602 0.32202455 0.12267057 1\n C C5 1 0.25434488 0.63492415 -0.00232262 1\n C C6 1 1.25434488 0.38492415 0.49767738 1\n C C7 1 0.25434488 0.13492415 -0.00232262 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47374000\n_cell_length_b 4.80360000\n_cell_length_c 4.80353000\n_cell_angle_alpha 127.07996000\n_cell_angle_beta 75.06013000\n_cell_angle_gamma 104.94075000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60871733\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13768956 0.55089248 0.71128394 1\n C C1 1 0.70129102 0.44714170 0.48150755 1\n C C2 1 0.95129677 0.36378710 -0.10184952 1\n C C3 1 0.88768381 0.63424708 0.29464101 1\n C C4 1 0.45129677 0.86378710 0.39815048 1\n C C5 1 0.20129102 0.94714170 0.98150755 1\n C C6 1 0.63768956 1.05089248 0.21128394 1\n C C7 1 0.38768381 0.13424708 0.79464101 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49540000\n_cell_length_b 4.50445000\n_cell_length_c 7.85328000\n_cell_angle_alpha 75.40075000\n_cell_angle_beta 84.05199000\n_cell_angle_gamma 73.33709000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.78999216\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.19778558 0.33946851 0.99258124 1\n C C1 1 0.91878720 0.38257496 0.45314328 1\n C C2 1 0.58744843 0.71038757 0.16867454 1\n C C3 1 -0.02751133 0.85304300 0.23748941 1\n C C4 1 0.63659552 0.69424942 -0.02533799 1\n C C5 1 0.21327663 0.72614723 0.69723772 1\n C C6 1 -0.13308785 0.18558366 0.16707511 1\n C C7 1 0.68202562 -0.13527035 0.58867938 1\n C C8 1 0.90909937 1.20960007 0.83485028 1\n C C9 1 0.37267436 1.34728253 0.72841848 1\n C C10 1 0.81927132 0.38726586 0.26954378 1\n C C11 1 0.83924147 0.73445569 0.42968015 1\n C C12 1 0.47414240 0.23411558 0.55642360 1\n C C13 1 0.09815634 0.83841137 0.87186572 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48854000\n_cell_length_b 4.80486000\n_cell_length_c 7.72939000\n_cell_angle_alpha 90.45582000\n_cell_angle_beta 91.44317000\n_cell_angle_gamma 103.23803000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 89.92761147\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10091689 0.67345161 0.52048102 1\n C C1 1 1.36393387 0.20289849 0.14020050 1\n C C2 1 0.90377953 0.20037532 1.01962887 1\n C C3 1 1.10840641 0.44435752 0.88843063 1\n C C4 1 0.83581282 0.90555183 0.92918210 1\n C C5 1 0.60897572 0.42286434 0.76730165 1\n C C6 1 0.43684820 0.45009464 0.27109955 1\n C C7 1 0.12021912 0.91456975 0.23741412 1\n C C8 1 -0.06783940 0.42831501 0.38722755 1\n C C9 1 0.75958568 0.93120016 0.74425691 1\n C C10 1 0.49835879 0.73790458 0.18320212 1\n C C11 1 0.30201042 0.73130505 0.98469811 1\n C C12 1 0.63442748 0.66618132 0.63884387 1\n C C13 1 0.16358288 -0.03506424 0.42869435 1\n C C14 1 0.67138459 0.16417294 0.66913261 1\n C C15 1 -0.26436548 0.14040398 0.47903594 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48452000\n_cell_length_b 6.49546000\n_cell_length_c 7.11275000\n_cell_angle_alpha 88.92947000\n_cell_angle_beta 100.05787000\n_cell_angle_gamma 89.98253000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 113.00175184\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53468470 0.28713109 1.02711925 1\n C C1 1 1.08921277 0.34625515 0.13594320 1\n C C2 1 0.26919588 0.85248339 0.49618283 1\n C C3 1 0.77208349 0.54992661 0.50458480 1\n C C4 1 0.66321456 0.63912352 0.28715114 1\n C C5 1 -0.01252925 0.94985378 0.93838832 1\n C C6 1 0.63909059 0.04308448 0.24392473 1\n C C7 1 0.43884351 0.37997529 0.83803366 1\n C C8 1 0.10582485 0.58298173 0.17053365 1\n C C9 1 0.16167883 0.17037996 0.28715744 1\n C C10 1 0.31678128 0.64603816 0.59641882 1\n C C11 1 0.32868249 0.02917366 0.62106748 1\n C C12 1 -0.11207184 0.05520492 0.74130903 1\n C C13 1 0.79134343 0.33102774 0.54194401 1\n C C14 1 0.43400423 0.61834948 0.82856538 1\n C C15 1 0.89336310 0.29484003 0.74962603 1\n C C16 1 0.26386008 0.22108242 0.48659014 1\n C C17 1 0.53518784 1.04063532 0.03160382 1\n C C18 1 -0.01345514 0.70083579 0.93630720 1\n C C19 1 0.70476510 0.85468259 0.36809096 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53319000\n_cell_length_b 2.45469000\n_cell_length_c 6.46384000\n_cell_angle_alpha 90.08736000\n_cell_angle_beta 100.33726000\n_cell_angle_gamma 91.41470000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.52825044\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27043829 0.92573545 0.21101996 1\n C C1 1 0.21568131 0.42396927 0.10461475 1\n C C2 1 0.55709568 0.43296326 0.77015004 1\n C C3 1 0.44273844 0.43283344 0.54003277 1\n C C4 1 0.10414990 0.42809349 0.87401481 1\n C C5 1 0.38555798 0.93061828 0.43285327 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48966000\n_cell_length_b 4.67145000\n_cell_length_c 7.38505000\n_cell_angle_alpha 125.24561000\n_cell_angle_beta 89.99896000\n_cell_angle_gamma 90.00109000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.14555842\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54630875 0.23883191 0.67267758 1\n C C1 1 0.04639822 0.61560527 0.59443183 1\n C C2 1 0.04624527 0.41712284 0.34618364 1\n C C3 1 0.54625303 0.95787822 0.40732633 1\n C C4 1 0.04624998 0.64535415 0.05007724 1\n C C5 1 0.54634424 0.89966847 0.89080427 1\n C C6 1 1.04622949 0.71429797 0.29638452 1\n C C7 1 0.54642260 0.54707516 0.67431909 1\n C C8 1 0.04635338 0.98970753 0.82297608 1\n C C9 1 0.54625493 0.85195399 1.06778379 1\n C C10 1 1.04630943 0.28074191 0.80845743 1\n C C11 1 0.54624469 0.18202757 0.28965191 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.56284000\n_cell_length_b 2.47943000\n_cell_length_c 5.74133000\n_cell_angle_alpha 77.51498000\n_cell_angle_beta 81.91306000\n_cell_angle_gamma 45.69640000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.43398103\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55859141 0.43307103 0.68919752 1\n C C1 1 1.06206780 0.27684848 0.99356866 1\n C C2 1 0.06672531 0.69407692 0.14871379 1\n C C3 1 0.56998437 0.53817059 0.45277716 1\n C C4 1 0.57058480 0.10888630 0.30975613 1\n C C5 1 0.55816821 0.86188477 0.83280183 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44459000\n_cell_length_b 4.80757000\n_cell_length_c 5.49106000\n_cell_angle_alpha 70.40632000\n_cell_angle_beta 90.06798000\n_cell_angle_gamma 104.68110000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.56289390\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01920038 0.27823666 0.66336305 1\n C C1 1 0.31286419 0.87359265 0.39789686 1\n C C2 1 0.58821966 0.42190695 0.00555398 1\n C C3 1 0.76813728 0.77845909 0.57658988 1\n C C4 1 0.73926848 0.72962089 1.03796810 1\n C C5 1 0.48581428 0.22227951 0.28249393 1\n C C6 1 0.59540110 0.42997989 0.73681039 1\n C C7 1 0.22477807 0.70119322 0.21201776 1\n C C8 1 0.85088671 0.94179573 0.76888597 1\n C C9 1 1.05191966 0.35333112 0.37544239 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47626000\n_cell_length_b 3.72265000\n_cell_length_c 4.92030000\n_cell_angle_alpha 67.75759000\n_cell_angle_beta 59.74181000\n_cell_angle_gamma 89.97531000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.21986997\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90949474 0.84960797 0.04996584 1\n C C1 1 -0.09087237 0.80342694 0.55071553 1\n C C2 1 0.90977628 0.25753541 1.05009294 1\n C C3 1 0.18680790 0.64633671 0.27269983 1\n C C4 1 0.18796597 0.69273337 0.77175372 1\n C C5 1 0.18758977 0.23849490 0.27223504 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43068000\n_cell_length_b 3.85387000\n_cell_length_c 6.84646000\n_cell_angle_alpha 106.41185000\n_cell_angle_beta 75.82502000\n_cell_angle_gamma 84.30837000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.66258960\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60791509 0.72886116 0.44177526 1\n C C1 1 0.43995373 0.06156250 0.60916063 1\n C C2 1 0.68959354 0.56122310 0.85967107 1\n C C3 1 0.35772649 0.22864578 0.19205127 1\n C C4 1 0.85747993 0.22838767 0.69241919 1\n C C5 1 0.10729189 0.72821951 -0.05735668 1\n C C6 1 -0.06006847 1.06163281 0.10921702 1\n C C7 1 0.19033931 0.56203837 0.35865435 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47715000\n_cell_length_b 5.67413000\n_cell_length_c 12.20172000\n_cell_angle_alpha 61.28645000\n_cell_angle_beta 78.08181000\n_cell_angle_gamma 86.62390000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 147.00903721\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53901821 0.86674932 0.52701875 1\n C C1 1 0.01114769 0.50596769 0.46567958 1\n C C2 1 0.58683172 0.20519808 0.84028721 1\n C C3 1 -0.30320078 0.68830421 0.26604251 1\n C C4 1 0.07577839 0.70079225 0.53498726 1\n C C5 1 0.58166009 0.52201601 0.39763997 1\n C C6 1 0.64195111 0.12226046 0.39450362 1\n C C7 1 1.13461451 0.35856568 0.77000960 1\n C C8 1 0.93769986 0.72282511 0.03468891 1\n C C9 1 1.07307887 0.80354590 0.89588382 1\n C C10 1 1.06876470 0.56483868 0.88659011 1\n C C11 1 0.30653576 0.30041547 0.19197278 1\n C C12 1 1.20429455 0.41521791 0.63801675 1\n C C13 1 0.94971548 0.29817602 0.00008919 1\n C C14 1 0.76105012 1.01123225 0.68024198 1\n C C15 1 0.20277191 0.17177948 0.32341629 1\n C C16 1 0.39370899 0.83744173 0.06619579 1\n C C17 1 0.31169172 0.87948942 0.65888197 1\n C C18 1 1.25571746 0.74184755 0.20327467 1\n C C19 1 0.17704695 0.60731906 0.76883447 1\n C C20 1 0.78239743 0.30852775 0.60383623 1\n C C21 1 0.87163990 0.38538801 0.11316736 1\n C C22 1 0.62627271 -0.04189428 0.82657322 1\n C C23 1 0.46561446 0.15130765 -0.01652974 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48103000\n_cell_length_b 4.14193000\n_cell_length_c 7.82695000\n_cell_angle_alpha 105.34245000\n_cell_angle_beta 118.37524000\n_cell_angle_gamma 89.98637000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.49540265\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56446239 0.92646453 0.43068001 1\n C C1 1 0.76797373 0.45430098 0.89750169 1\n C C2 1 0.13715730 0.25834526 0.81055717 1\n C C3 1 0.63344520 0.73781652 0.80894563 1\n C C4 1 0.29897950 0.50449590 0.58606970 1\n C C5 1 1.23826818 0.94749504 0.87908186 1\n C C6 1 1.10027814 0.56524473 0.11940501 1\n C C7 1 0.06391265 0.69913942 0.43020595 1\n C C8 1 -0.27040278 0.45586107 0.20623719 1\n C C9 1 0.23046647 0.93693004 0.20748200 1\n C C10 1 0.62568840 0.07651543 0.13739171 1\n C C11 1 0.79981231 0.27730309 0.58649088 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45486000\n_cell_length_b 3.35335000\n_cell_length_c 7.37756000\n_cell_angle_alpha 92.92054000\n_cell_angle_beta 99.58799000\n_cell_angle_gamma 111.59858000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.26003137\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54454978 -0.16212993 0.84986681 1\n C C1 1 0.18795455 0.46588024 0.50621345 1\n C C2 1 1.11530503 0.70125880 0.12762764 1\n C C3 1 0.06492699 0.79148525 0.93887246 1\n C C4 1 1.00162829 0.03577558 0.56363466 1\n C C5 1 0.46825145 0.88121080 0.65343246 1\n C C6 1 0.63679542 0.65651932 0.21721695 1\n C C7 1 0.71824478 0.61852614 0.41485626 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.09090000\n_cell_length_b 3.97160000\n_cell_length_c 7.70700000\n_cell_angle_alpha 94.33248000\n_cell_angle_beta 109.61121000\n_cell_angle_gamma 71.77677000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 84.60596890\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74574842 1.10049463 0.48692172 1\n C C1 1 0.74430567 0.59978987 0.98696510 1\n C C2 1 1.07680114 0.43193278 0.15370607 1\n C C3 1 1.07616846 0.93165717 0.65372973 1\n C C4 1 0.41123028 0.60001769 0.65373884 1\n C C5 1 0.74417946 0.93230991 0.32004174 1\n C C6 1 0.40862441 -0.06869420 0.98700364 1\n C C7 1 0.41183895 0.10027404 0.15371939 1\n C C8 1 0.07921162 0.60069969 0.32010309 1\n C C9 1 0.74218502 0.43142625 0.82009722 1\n C C10 1 0.41004493 0.43193495 0.48696127 1\n C C11 1 0.07715326 0.09973140 0.82017559 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51764000\n_cell_length_b 6.59588000\n_cell_length_c 9.54196000\n_cell_angle_alpha 65.20615000\n_cell_angle_beta 85.74529000\n_cell_angle_gamma 78.33112000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 140.86535348\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83692253 0.64091117 0.75016643 1\n C C1 1 1.18996018 0.61989828 0.21472366 1\n C C2 1 0.02555911 0.58337467 0.62224132 1\n C C3 1 1.23319276 0.18002210 0.80872054 1\n C C4 1 0.29526666 0.46164924 0.13200633 1\n C C5 1 0.29037606 0.27961820 0.52865565 1\n C C6 1 0.77395861 0.36019415 0.42780667 1\n C C7 1 0.87951896 0.20197859 0.34499260 1\n C C8 1 0.50475082 -0.04469085 0.83274749 1\n C C9 1 0.56506815 0.86507386 0.72641276 1\n C C10 1 -0.04588286 0.98877553 0.48683202 1\n C C11 1 0.50333268 0.03042533 0.19959625 1\n C C12 1 0.67817839 0.59944894 0.30871839 1\n C C13 1 0.88195077 0.46999315 0.90242883 1\n C C14 1 1.11519697 0.83267929 1.07284416 1\n C C15 1 0.03919223 0.77827726 0.45909614 1\n C C16 1 0.39084853 0.22313311 0.25064592 1\n C C17 1 0.56583565 0.79245512 0.35922145 1\n C C18 1 0.18818059 0.35177865 0.65682114 1\n C C19 1 0.64588936 0.80132446 0.99145829 1\n C C20 1 1.04437371 0.23803685 0.93649053 1\n C C21 1 1.03035049 0.04414537 1.09967595 1\n C C22 1 0.42331198 0.01983166 0.56815903 1\n C C23 1 0.77904738 0.54211118 1.03096924 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43114000\n_cell_length_b 4.48441000\n_cell_length_c 6.20314000\n_cell_angle_alpha 67.56936000\n_cell_angle_beta 82.72654000\n_cell_angle_gamma 68.95221000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.33649864\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37612453 0.90827666 -0.07106803 1\n C C1 1 0.70891510 0.24128216 0.26241526 1\n C C2 1 0.87615778 0.90822931 0.42886520 1\n C C3 1 -0.04159463 0.74164087 1.01335499 1\n C C4 1 1.12556426 0.40865481 0.17992471 1\n C C5 1 0.62560070 0.40859816 0.67987662 1\n C C6 1 0.45843241 0.74158435 0.51330744 1\n C C7 1 0.20888746 0.24129398 0.76245120 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.14096000\n_cell_length_b 3.38555000\n_cell_length_c 11.13640000\n_cell_angle_alpha 99.93249000\n_cell_angle_beta 84.40744000\n_cell_angle_gamma 78.39301000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 149.22131469\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88410246 0.90132893 1.00752035 1\n C C1 1 0.38522477 0.49290338 0.28827171 1\n C C2 1 0.38251914 0.76942701 0.10130197 1\n C C3 1 0.88920346 0.19067413 0.50158271 1\n C C4 1 0.72288418 1.03395922 0.91328996 1\n C C5 1 0.30526284 0.19439937 0.48458086 1\n C C6 1 0.73365807 0.30721546 0.72676092 1\n C C7 1 0.89194173 0.17515097 0.81935438 1\n C C8 1 0.72021492 0.75732307 0.10051375 1\n C C9 1 0.21777331 0.63767297 0.19510562 1\n C C10 1 0.85793190 0.48559741 0.62800980 1\n C C11 1 0.38588208 1.03756687 0.91143363 1\n C C12 1 0.41673669 0.20416653 0.70221086 1\n C C13 1 0.22754374 0.15982654 0.81607583 1\n C C14 1 0.53082704 0.78707593 0.61337376 1\n C C15 1 0.25833485 0.48463792 0.61447543 1\n C C16 1 0.63917790 -0.09512811 0.49223705 1\n C C17 1 0.88346217 0.62028082 0.19581884 1\n C C18 1 0.21233465 0.42013592 0.38802058 1\n C C19 1 0.21827268 0.90905061 1.00762035 1\n C C20 1 0.72260717 0.47363700 0.28734007 1\n C C21 1 -0.15233017 0.48815755 0.40740660 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51124000\n_cell_length_b 4.19125000\n_cell_length_c 4.11307000\n_cell_angle_alpha 119.39259000\n_cell_angle_beta 89.96673000\n_cell_angle_gamma 72.35860000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.35863513\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41193902 0.16334729 0.64445802 1\n C C1 1 0.60467264 0.77543992 0.60090337 1\n C C2 1 0.21860836 0.55165317 0.35806311 1\n C C3 1 0.41134198 0.16374579 0.31450847 1\n C C4 1 0.60450104 0.77563650 0.97018494 1\n C C5 1 0.21877996 0.55145659 0.98878154 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45597000\n_cell_length_b 4.68165000\n_cell_length_c 8.44759000\n_cell_angle_alpha 70.00051000\n_cell_angle_beta 114.50712000\n_cell_angle_gamma 112.32957000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.76614127\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38538199 0.93178257 0.84565466 1\n C C1 1 0.22711557 0.90388881 0.12503373 1\n C C2 1 0.71551793 0.42970349 0.41527746 1\n C C3 1 0.74890721 0.42158378 0.97851354 1\n C C4 1 0.18837152 0.56463266 0.87496661 1\n C C5 1 0.11597400 0.80685955 0.41048499 1\n C C6 1 0.44845480 0.76924868 0.61137122 1\n C C7 1 0.65551744 1.05249001 1.01661209 1\n C C8 1 0.77325079 0.31170980 0.60531192 1\n C C9 1 0.77202091 1.01381803 0.72348059 1\n C C10 1 -0.02857371 0.54799743 0.14084728 1\n C C11 1 0.61231701 -0.02900088 0.31501522 1\n C C12 1 -0.02265762 0.33638432 0.31582605 1\n C C13 1 -0.08205423 0.57472054 0.67920925 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.74637000\n_cell_length_b 2.77326000\n_cell_length_c 5.70946000\n_cell_angle_alpha 83.41539000\n_cell_angle_beta 89.91899000\n_cell_angle_gamma 80.85615000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.17066888\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80553536 0.58858249 0.11081016 1\n C C1 1 0.31252362 0.58347418 0.34208453 1\n C C2 1 -0.06375700 0.58961825 0.34219873 1\n C C3 1 0.62414873 0.58620909 0.73167287 1\n C C4 1 0.93478343 0.59340345 0.87963026 1\n C C5 1 0.62539968 0.58942375 0.48898209 1\n C C6 1 0.44214883 0.58826503 0.11085024 1\n C C7 1 0.31139535 0.58707306 0.87923531 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55348000\n_cell_length_b 4.10404000\n_cell_length_c 6.44051000\n_cell_angle_alpha 50.16530000\n_cell_angle_beta 76.73877000\n_cell_angle_gamma 70.19671000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.75604847\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87828127 0.59925825 0.97074201 1\n C C1 1 1.24587340 -0.15958075 0.97082366 1\n C C2 1 -0.01744468 0.14332170 0.22060530 1\n C C3 1 0.13943437 0.29652811 0.72096097 1\n C C4 1 0.98252552 0.64332517 0.72060558 1\n C C5 1 0.24578164 0.34042097 0.47082594 1\n C C6 1 0.87820309 1.09925444 0.47074533 1\n C C7 1 0.13945449 0.79652461 0.22096061 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48744000\n_cell_length_b 4.30513000\n_cell_length_c 4.30605000\n_cell_angle_alpha 119.97199000\n_cell_angle_beta 106.81798000\n_cell_angle_gamma 106.78955000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59880121\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49695343 0.41090206 0.43510654 1\n C C1 1 0.24701837 0.99412667 0.35166393 1\n C C2 1 0.24701837 0.66079334 0.68499726 1\n C C3 1 0.24701837 0.32746000 0.01833060 1\n C C4 1 0.49695343 0.74423540 0.10177320 1\n C C5 1 0.49695343 1.07756873 0.76843987 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48773000\n_cell_length_b 2.48760000\n_cell_length_c 6.08722000\n_cell_angle_alpha 89.96289000\n_cell_angle_beta 89.99992000\n_cell_angle_gamma 120.02621000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61508672\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72909967 0.88663527 0.15745523 1\n C C1 1 0.06219451 0.55326090 0.49078464 1\n C C2 1 0.39608236 0.22002002 0.82411416 1\n C C3 1 0.39585922 0.22012172 0.07483507 1\n C C4 1 0.72887653 0.88673697 0.40817614 1\n C C5 1 0.06276438 0.55349609 0.74150566 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47283000\n_cell_length_b 3.23388000\n_cell_length_c 6.10885000\n_cell_angle_alpha 58.07309000\n_cell_angle_beta 78.26980000\n_cell_angle_gamma 67.44427000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.28986712\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07454575 -0.09633488 0.76679100 1\n C C1 1 0.71364417 0.62582885 0.76685735 1\n C C2 1 0.39253929 -0.10491113 0.13867349 1\n C C3 1 -0.10617465 0.48208189 0.54804197 1\n C C4 1 0.89303533 0.04743951 0.98569133 1\n C C5 1 0.39419731 0.63462676 0.39495285 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29802000\n_cell_length_b 4.00760000\n_cell_length_c 6.58375000\n_cell_angle_alpha 107.69001000\n_cell_angle_beta 94.73823000\n_cell_angle_gamma 89.99470000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.59168066\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27686802 0.41114669 0.01326071 1\n C C1 1 0.97842437 0.33707891 0.16077318 1\n C C2 1 -0.09262248 0.61066237 0.69640166 1\n C C3 1 0.04647443 -0.01428082 0.45833346 1\n C C4 1 0.11988802 0.72404933 0.92373197 1\n C C5 1 0.44382696 1.00799374 0.91969771 1\n C C6 1 0.42836197 0.13814635 0.41533302 1\n C C7 1 0.21051684 0.71214787 0.54664817 1\n C C8 1 0.59689457 0.53251040 0.20381961 1\n C C9 1 0.31364388 0.43363977 0.34874607 1\n C C10 1 0.81797034 0.97501241 0.07332265 1\n C C11 1 0.75011470 0.20783678 0.60667660 1\n C C12 1 0.71274738 0.89420112 0.27043099 1\n C C13 1 0.58498740 0.89822729 0.70046361 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45739000\n_cell_length_b 3.40878000\n_cell_length_c 5.87795000\n_cell_angle_alpha 74.04982000\n_cell_angle_beta 65.28397000\n_cell_angle_gamma 68.45042000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17037260\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04653849 0.24539477 0.69378625 1\n C C1 1 0.79983622 0.18503051 0.96998359 1\n C C2 1 0.66533922 0.26131691 0.56720065 1\n C C3 1 0.27557576 0.98323813 0.09759241 1\n C C4 1 0.43949366 0.52220521 0.16303876 1\n C C5 1 0.91341316 0.32104738 0.29107243 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.56845000\n_cell_length_b 3.66540000\n_cell_length_c 5.14644000\n_cell_angle_alpha 82.04425000\n_cell_angle_beta 116.69154000\n_cell_angle_gamma 106.71022000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.73910184\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40802994 0.66464169 0.28232293 1\n C C1 1 0.70493684 0.56603377 0.39009200 1\n C C2 1 0.16589945 0.31208294 0.64555896 1\n C C3 1 0.39772924 0.10974070 0.84324714 1\n C C4 1 0.27006198 0.90471479 1.03935788 1\n C C5 1 0.19419791 0.53820073 0.41390899 1\n C C6 1 0.71594450 0.12154384 0.82980136 1\n C C7 1 0.91880358 0.69062942 0.25867446 1\n C C8 1 0.84290184 0.32571428 0.63302433 1\n C C9 1 0.94647282 0.91675874 1.02664454 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45544000\n_cell_length_b 4.23658000\n_cell_length_c 5.26552000\n_cell_angle_alpha 56.96943000\n_cell_angle_beta 76.51093000\n_cell_angle_gamma 89.98207000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.11210378\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06495755 0.38834549 0.13098294 1\n C C1 1 0.01685946 0.30424030 0.60467644 1\n C C2 1 0.87963703 -0.02360326 0.23723962 1\n C C3 1 0.43748374 1.06105315 0.76361771 1\n C C4 1 0.33969800 0.47270063 0.25674011 1\n C C5 1 0.83758749 0.67020821 0.60237565 1\n C C6 1 0.25621431 0.69528058 0.76582203 1\n C C7 1 0.41036973 0.89194190 0.11182590 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43090000\n_cell_length_b 3.26738000\n_cell_length_c 6.06842000\n_cell_angle_alpha 80.87025000\n_cell_angle_beta 91.29077000\n_cell_angle_gamma 114.44221000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.27401219\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06893836 -0.17853561 0.07698949 1\n C C1 1 0.40227169 0.48813106 0.41032282 1\n C C2 1 0.51290061 0.70823464 0.18790781 1\n C C3 1 0.84623394 0.37490131 0.52124114 1\n C C4 1 0.73560503 1.15479773 0.74365616 1\n C C5 1 1.17956727 1.04156797 0.85457448 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03342000\n_cell_length_b 2.42939000\n_cell_length_c 6.21372000\n_cell_angle_alpha 105.81204000\n_cell_angle_beta 79.81546000\n_cell_angle_gamma 99.35104000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.04719212\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62834524 0.89455765 0.56471708 1\n C C1 1 0.73929875 0.33976869 0.45334909 1\n C C2 1 -0.03830089 0.22790602 0.23135591 1\n C C3 1 1.29513495 0.56129847 0.89809392 1\n C C4 1 0.07273437 0.67316567 0.12003389 1\n C C5 1 0.40614388 1.00653119 0.78674541 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46550000\n_cell_length_b 3.21573000\n_cell_length_c 7.57857000\n_cell_angle_alpha 106.03463000\n_cell_angle_beta 90.05520000\n_cell_angle_gamma 67.33321000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.90951787\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30316290 0.34032343 0.03923071 1\n C C1 1 0.41816078 0.11257049 0.85629806 1\n C C2 1 0.20857163 0.53425357 0.59119669 1\n C C3 1 0.74195182 0.46276451 0.13835920 1\n C C4 1 0.63434686 0.67886084 0.32186696 1\n C C5 1 1.08547670 0.77815202 0.43038224 1\n C C6 1 0.84820911 0.25614460 0.58829078 1\n C C7 1 -0.03145360 0.01179154 0.74810197 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45779000\n_cell_length_b 2.53256000\n_cell_length_c 6.87694000\n_cell_angle_alpha 81.69399000\n_cell_angle_beta 110.57526000\n_cell_angle_gamma 89.06745000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.55066741\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04648086 0.40237655 1.05611368 1\n C C1 1 0.38207361 0.75621055 0.39074187 1\n C C2 1 0.27856622 0.29813644 0.28694814 1\n C C3 1 0.61406430 0.64539595 0.62149683 1\n C C4 1 0.21927696 0.58317249 0.72794821 1\n C C5 1 0.44126076 0.46005592 0.94966747 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.66557000\n_cell_length_b 4.19974000\n_cell_length_c 4.20158000\n_cell_angle_alpha 59.99942000\n_cell_angle_beta 53.67810000\n_cell_angle_gamma 61.77350000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.65872003\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60059752 0.13911055 0.08791959 1\n C C1 1 0.60045996 0.80638387 0.08789962 1\n C C2 1 0.60023301 0.13971634 0.42132030 1\n C C3 1 0.60037058 0.47244302 0.42134026 1\n C C4 1 0.60054994 0.80574794 0.75464725 1\n C C5 1 0.60028060 0.47307895 0.75459264 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44071000\n_cell_length_b 2.54805000\n_cell_length_c 7.69102000\n_cell_angle_alpha 117.58084000\n_cell_angle_beta 107.71999000\n_cell_angle_gamma 91.67696000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.55494457\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69088457 0.94901855 0.48492082 1\n C C1 1 0.12801358 0.62706686 0.92216399 1\n C C2 1 0.46096572 0.61176567 0.25549015 1\n C C3 1 0.35905225 0.96452124 0.15174450 1\n C C4 1 0.29798617 0.11687797 0.59275778 1\n C C5 1 0.52071841 0.45928701 0.81421717 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41780000\n_cell_length_b 3.41372000\n_cell_length_c 6.09000000\n_cell_angle_alpha 90.02957000\n_cell_angle_beta 90.07512000\n_cell_angle_gamma 88.62780000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.03409444\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55291166 0.77358438 0.25679085 1\n C C1 1 0.79956270 1.04246113 0.10270752 1\n C C2 1 0.05299513 0.77275749 0.95909666 1\n C C3 1 0.88982638 0.59609572 0.38745900 1\n C C4 1 0.30713024 0.50361342 0.10282843 1\n C C5 1 0.55288261 0.27272497 0.94944064 1\n C C6 1 0.91580950 0.42408851 0.61173316 1\n C C7 1 0.05297086 0.27366350 0.24615234 1\n C C8 1 0.73573989 0.59393465 0.81396286 1\n C C9 1 0.36985115 -0.04807525 0.81402873 1\n C C10 1 0.21632998 0.95208563 0.38752288 1\n C C11 1 0.19085988 0.12400524 0.61176161 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.23461000\n_cell_length_b 4.27736000\n_cell_length_c 5.68385000\n_cell_angle_alpha 104.92809000\n_cell_angle_beta 106.10890000\n_cell_angle_gamma 93.21588000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 117.01890055\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59339508 0.16214857 0.11443468 1\n C C1 1 0.76903839 -0.01706435 0.46928950 1\n C C2 1 1.02280981 0.16783004 0.53720200 1\n C C3 1 0.43838226 0.22814706 -0.11043883 1\n C C4 1 0.30767026 0.75722105 0.23604126 1\n C C5 1 0.54405200 0.96350068 0.26315925 1\n C C6 1 0.30720245 0.57389699 0.41611010 1\n C C7 1 0.59434485 0.45168031 0.82105463 1\n C C8 1 0.02240104 0.87745104 0.82965035 1\n C C9 1 0.84851535 0.52135994 0.00692503 1\n C C10 1 0.17857916 0.10121267 0.76125671 1\n C C11 1 0.07247520 0.72680576 0.02599091 1\n C C12 1 0.84805122 0.34686804 0.18238719 1\n C C13 1 0.54330215 0.60322642 0.62506179 1\n C C14 1 0.07151107 0.36671537 0.38855212 1\n C C15 1 0.76885200 0.80816961 0.64477482 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.02119000\n_cell_length_b 2.43567000\n_cell_length_c 6.40274000\n_cell_angle_alpha 100.74558000\n_cell_angle_beta 91.01393000\n_cell_angle_gamma 68.22914000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.91914921\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67785727 0.24169806 0.55466099 1\n C C1 1 0.67941653 1.13055763 0.33261537 1\n C C2 1 -0.32015342 0.90783393 -0.11156108 1\n C C3 1 0.67957099 0.79771376 0.66646607 1\n C C4 1 0.67885723 0.57445419 0.22162575 1\n C C5 1 0.68088621 0.46384783 -0.00035200 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.24582000\n_cell_length_b 4.54238000\n_cell_length_c 4.21049000\n_cell_angle_alpha 79.28814000\n_cell_angle_beta 75.08732000\n_cell_angle_gamma 75.04283000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.47877281\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27034106 0.18917306 0.83167480 1\n C C1 1 0.02034106 0.43917306 0.33167480 1\n C C2 1 0.77034106 0.68917306 0.83167480 1\n C C3 1 0.01841026 0.43832527 0.66579095 1\n C C4 1 0.26841026 0.18832527 0.16579095 1\n C C5 1 0.76841026 0.68832527 0.16579095 1\n C C6 1 0.52034106 0.93917306 0.33167480 1\n C C7 1 0.51841026 -0.06167473 0.66579095 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46537000\n_cell_length_b 3.22485000\n_cell_length_c 7.47960000\n_cell_angle_alpha 75.15395000\n_cell_angle_beta 89.90741000\n_cell_angle_gamma 67.35590000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.73535513\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88658092 0.71075942 -0.01401251 1\n C C1 1 0.75884813 -0.03473671 0.14783447 1\n C C2 1 0.41910206 0.64369846 0.43921924 1\n C C3 1 0.30617994 -0.13126026 0.25664893 1\n C C4 1 0.65315774 0.17724463 0.82793963 1\n C C5 1 0.98232341 0.51666080 0.53791636 1\n C C6 1 0.10330606 0.27816900 0.71931650 1\n C C7 1 0.52691713 0.43212987 0.98947739 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43760000\n_cell_length_b 4.23362000\n_cell_length_c 8.06936000\n_cell_angle_alpha 53.46354000\n_cell_angle_beta 81.27328000\n_cell_angle_gamma 89.91463000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.71980990\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96958016 0.69269033 0.59494239 1\n C C1 1 0.79467163 0.57113883 -0.02920305 1\n C C2 1 -0.05600657 0.28141318 0.65994980 1\n C C3 1 0.61078365 0.55979348 0.33415366 1\n C C4 1 0.27822544 0.02843018 1.00107367 1\n C C5 1 0.49105225 0.23539215 0.56464701 1\n C C6 1 0.82500575 -0.01748439 0.90577517 1\n C C7 1 0.47793725 0.86446372 0.58231280 1\n C C8 1 0.16326360 0.70366496 0.23161283 1\n C C9 1 0.28643204 0.39907007 0.98370201 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51721000\n_cell_length_b 3.51604000\n_cell_length_c 3.31809000\n_cell_angle_alpha 90.01197000\n_cell_angle_beta 90.01466000\n_cell_angle_gamma 60.03179000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54756976\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50034675 -0.04658576 0.64194585 1\n C C1 1 0.26808648 0.72131050 0.47432277 1\n C C2 1 -0.03565941 0.02538927 0.14213503 1\n C C3 1 0.50046926 0.25737395 0.30763765 1\n C C4 1 0.19638137 0.25727282 0.97422719 1\n C C5 1 0.96431485 0.72112352 0.80765571 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56672000\n_cell_length_b 4.38842000\n_cell_length_c 6.71129000\n_cell_angle_alpha 112.58933000\n_cell_angle_beta 116.49837000\n_cell_angle_gamma 69.55294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.99737404\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40836208 -0.14642286 0.60834211 1\n C C1 1 0.53094292 0.23273470 0.41158704 1\n C C2 1 0.73494988 0.89437069 0.46256920 1\n C C3 1 0.59243113 0.62157993 0.24625050 1\n C C4 1 0.85742230 0.27351585 0.26598207 1\n C C5 1 0.09730145 0.43279234 0.83177040 1\n C C6 1 0.16736231 0.69373674 0.04262484 1\n C C7 1 0.45999387 0.10708654 0.83535618 1\n C C8 1 0.67317129 0.50534781 0.62794293 1\n C C9 1 -0.19445582 0.01963807 0.03919865 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48791000\n_cell_length_b 3.51681000\n_cell_length_c 8.96491000\n_cell_angle_alpha 101.31599000\n_cell_angle_beta 82.03172000\n_cell_angle_gamma 90.00870000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 76.14153131\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89085149 -0.05856037 0.56234155 1\n C C1 1 0.04012394 0.79892042 0.27652440 1\n C C2 1 0.46471854 0.36958034 0.41914997 1\n C C3 1 0.54014369 0.54837996 0.27645236 1\n C C4 1 -0.03530677 0.12050777 0.41919264 1\n C C5 1 0.82155470 0.26259854 0.70480995 1\n C C6 1 0.68806713 0.40627506 0.99051840 1\n C C7 1 0.39078728 0.69191421 0.56236549 1\n C C8 1 0.18810721 0.65519454 -0.00953845 1\n C C9 1 1.11552257 0.97691011 0.13341977 1\n C C10 1 0.61540248 0.22740609 0.13343830 1\n C C11 1 0.75582516 0.08444703 0.84806654 1\n C C12 1 0.32147888 0.51335147 0.70490235 1\n C C13 1 0.25582699 -0.16529137 0.84811603 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46122000\n_cell_length_b 4.03955000\n_cell_length_c 8.19855000\n_cell_angle_alpha 100.67496000\n_cell_angle_beta 98.56710000\n_cell_angle_gamma 90.02923000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.17424528\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06000876 0.27466897 0.12633547 1\n C C1 1 0.83032738 0.90295122 0.28599438 1\n C C2 1 0.59564971 0.03917060 0.12119415 1\n C C3 1 0.38116325 0.05614800 0.38622188 1\n C C4 1 -0.00841088 0.52481948 0.28925674 1\n C C5 1 0.86608538 0.48234552 0.69517702 1\n C C6 1 0.48313734 0.86279557 0.93412194 1\n C C7 1 -0.01195898 0.35537027 0.95256964 1\n C C8 1 0.31455052 0.93451481 0.55746996 1\n C C9 1 0.54168480 0.44687433 0.38870446 1\n C C10 1 0.36346434 0.25175597 0.69189718 1\n C C11 1 0.77998600 0.69974955 0.56020327 1\n C C12 1 0.44832021 0.18133614 0.86999953 1\n C C13 1 0.95888487 0.66619276 0.88428599 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.69049000\n_cell_length_b 3.68033000\n_cell_length_c 4.75940000\n_cell_angle_alpha 105.29744000\n_cell_angle_beta 104.07891000\n_cell_angle_gamma 108.94348000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.00989646\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92418830 0.19512567 0.73442887 1\n C C1 1 0.14711666 0.91428381 0.73277191 1\n C C2 1 0.95674289 0.58627041 0.41905707 1\n C C3 1 0.82450731 0.59826004 0.10492762 1\n C C4 1 0.79526040 0.20798272 0.42097188 1\n C C5 1 0.13820177 0.66185671 -0.05260726 1\n C C6 1 0.60180670 0.87955886 0.10677999 1\n C C7 1 0.61082956 0.13282800 0.89232443 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43087000\n_cell_length_b 3.15522000\n_cell_length_c 5.89796000\n_cell_angle_alpha 84.59558000\n_cell_angle_beta 95.29779000\n_cell_angle_gamma 77.40985000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.65539067\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53897499 -0.19214318 0.29126259 1\n C C1 1 0.31532100 0.25351519 0.84674146 1\n C C2 1 0.87197018 0.14146267 0.95799775 1\n C C3 1 0.64932604 0.58583382 0.51323852 1\n C C4 1 -0.01767877 0.91943968 0.17997368 1\n C C5 1 0.20597523 0.47378130 0.62449481 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43899000\n_cell_length_b 4.68895000\n_cell_length_c 5.19457000\n_cell_angle_alpha 56.39186000\n_cell_angle_beta 90.02709000\n_cell_angle_gamma 74.88590000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.98401843\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53856010 0.04228780 0.74202899 1\n C C1 1 0.03493398 0.05040082 0.30883592 1\n C C2 1 0.84542696 0.42954491 0.04856265 1\n C C3 1 0.34992987 0.42170638 0.62291312 1\n C C4 1 0.09011464 0.93843576 0.63287286 1\n C C5 1 1.19348603 0.73591317 1.27960430 1\n C C6 1 0.29250706 0.53360814 -0.16502870 1\n C C7 1 0.69296646 0.73622762 0.10234536 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43047000\n_cell_length_b 6.09526000\n_cell_length_c 5.30089000\n_cell_angle_alpha 115.39597000\n_cell_angle_beta 104.12490000\n_cell_angle_gamma 111.89071000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.67837006\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62285257 0.50788757 0.80660465 1\n C C1 1 0.28862360 0.34057197 0.47307080 1\n C C2 1 0.62311471 0.25840344 0.30669757 1\n C C3 1 0.62272082 1.00787754 0.80663300 1\n C C4 1 0.28886642 1.09092429 -0.02682735 1\n C C5 1 0.28866535 0.84052123 0.47305023 1\n C C6 1 0.28891678 0.59084806 0.97310987 1\n C C7 1 0.62301275 0.75820591 0.30662983 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42782000\n_cell_length_b 3.83139000\n_cell_length_c 8.30388000\n_cell_angle_alpha 68.44133000\n_cell_angle_beta 107.81399000\n_cell_angle_gamma 115.15230000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 90.34652668\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48440128 0.31574173 0.41237754 1\n C C1 1 0.87086245 0.93501574 0.78427188 1\n C C2 1 0.85814955 0.68705890 0.41207795 1\n C C3 1 0.53889276 -0.01916885 0.09703057 1\n C C4 1 0.89379860 0.63544466 -0.05679502 1\n C C5 1 0.83900347 -0.01605231 0.25153065 1\n C C6 1 0.24425228 0.30623147 0.78396662 1\n C C7 1 0.19504139 0.63747769 0.09699547 1\n C C8 1 0.45197179 0.72568064 0.68143325 1\n C C9 1 0.27567142 0.89860255 0.51539527 1\n C C10 1 0.54319237 0.28483920 0.94342751 1\n C C11 1 0.18914984 0.33524638 0.25139100 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35372000\n_cell_length_b 4.62419000\n_cell_length_c 5.55381000\n_cell_angle_alpha 92.11997000\n_cell_angle_beta 83.72421000\n_cell_angle_gamma 110.27102000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.31107620\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10817205 0.22204277 -0.15103788 1\n C C1 1 0.46632974 0.35128464 0.13379049 1\n C C2 1 0.87018386 0.65803085 0.17795751 1\n C C3 1 0.62717576 -0.12262828 0.25683414 1\n C C4 1 0.31262331 0.45252854 0.92372615 1\n C C5 1 0.01857875 0.72831955 0.67654313 1\n C C6 1 0.66135750 0.43390024 0.73654413 1\n C C7 1 0.20993371 0.75242606 0.94259857 1\n C C8 1 1.18850598 0.66194528 0.38370288 1\n C C9 1 0.45334747 0.24122469 0.54092611 1\n C C10 1 0.79289272 0.10901662 0.43773141 1\n C C11 1 -0.00205126 0.03360976 0.64469596 1\n C C12 1 0.22142700 0.35239442 0.36554061 1\n C C13 1 0.55142349 1.04722726 0.04406930 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43486000\n_cell_length_b 5.81360000\n_cell_length_c 8.37066000\n_cell_angle_alpha 103.14519000\n_cell_angle_beta 90.04606000\n_cell_angle_gamma 114.68054000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 104.22822643\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23782212 0.08537453 0.03750940 1\n C C1 1 0.35886074 0.20321620 0.88362605 1\n C C2 1 0.75907804 0.10304829 0.78388113 1\n C C3 1 0.48198192 0.33215748 0.17506270 1\n C C4 1 1.12502374 0.97025349 0.33691374 1\n C C5 1 -0.14869655 0.69448577 0.67391600 1\n C C6 1 0.16335776 0.50993004 0.42631571 1\n C C7 1 0.21633688 1.06206138 0.51449827 1\n C C8 1 0.65338950 0.50059474 0.95571431 1\n C C9 1 0.58002160 0.92713335 0.06494060 1\n C C10 1 0.59489109 0.93964502 0.25066570 1\n C C11 1 0.70296131 0.54928082 0.51115287 1\n C C12 1 0.75851346 0.10275858 0.60162420 1\n C C13 1 0.29223923 0.64023424 0.97339620 1\n C C14 1 1.05560298 0.40541276 0.25681375 1\n C C15 1 0.46415659 0.80851942 0.73727907 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42565000\n_cell_length_b 4.21615000\n_cell_length_c 4.21722000\n_cell_angle_alpha 90.13904000\n_cell_angle_beta 89.94033000\n_cell_angle_gamma 90.03023000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.12894880\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91387985 0.15144178 0.54827526 1\n C C1 1 0.41385272 0.99557575 0.52019518 1\n C C2 1 0.91564456 0.56121327 0.95458470 1\n C C3 1 0.41481890 0.64791610 0.45873810 1\n C C4 1 0.41548649 0.58924046 0.11045059 1\n C C5 1 0.91461047 0.49974124 0.60693798 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48818000\n_cell_length_b 4.30577000\n_cell_length_c 4.30600000\n_cell_angle_alpha 48.18765000\n_cell_angle_beta 73.20847000\n_cell_angle_gamma 73.20737000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61675259\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40260601 0.58309454 0.56798633 1\n C C1 1 0.56928552 0.16631286 0.65142050 1\n C C2 1 1.23595219 0.49964619 0.98475383 1\n C C3 1 0.73593934 0.24976121 0.23465300 1\n C C4 1 0.06927268 0.91642787 0.90131967 1\n C C5 1 -0.09738114 0.83297953 0.31808717 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45442000\n_cell_length_b 4.16285000\n_cell_length_c 5.84831000\n_cell_angle_alpha 75.14265000\n_cell_angle_beta 77.46223000\n_cell_angle_gamma 88.48095000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.35242569\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29939808 0.21737672 0.19043030 1\n C C1 1 0.92603832 0.94034073 0.93660587 1\n C C2 1 0.20976986 0.52498946 0.27750377 1\n C C3 1 0.93282569 0.37177168 0.55687311 1\n C C4 1 0.76341032 0.73048224 0.19892627 1\n C C5 1 0.76421202 1.02415385 0.30400417 1\n C C6 1 0.20035814 0.82092550 0.70207300 1\n C C7 1 0.39204066 0.16999037 0.93243848 1\n C C8 1 0.76448482 -0.00671402 0.56659357 1\n C C9 1 0.35907897 0.44889047 0.69398806 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48184000\n_cell_length_b 3.68836000\n_cell_length_c 4.21951000\n_cell_angle_alpha 75.01833000\n_cell_angle_beta 89.95566000\n_cell_angle_gamma 109.66695000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97156827\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12990879 0.76641754 0.00721168 1\n C C1 1 0.67736634 0.85653121 0.50232528 1\n C C2 1 0.45434872 0.41052243 0.70880859 1\n C C3 1 0.25554867 1.01347630 0.63281519 1\n C C4 1 0.70835551 -0.07657441 0.13764789 1\n C C5 1 0.93349526 0.36948024 0.93098528 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.89478000\n_cell_length_b 3.63646000\n_cell_length_c 4.81951000\n_cell_angle_alpha 67.86525000\n_cell_angle_beta 91.99058000\n_cell_angle_gamma 71.15250000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.76088572\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20094464 0.73031475 0.47985869 1\n C C1 1 0.19217911 0.79390469 0.97917152 1\n C C2 1 0.20174309 0.13678779 0.28801107 1\n C C3 1 0.20369009 0.51648938 0.28889662 1\n C C4 1 1.19429880 0.17344552 -0.01995814 1\n C C5 1 0.19572568 0.57966387 0.78835975 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46682000\n_cell_length_b 6.29092000\n_cell_length_c 9.76552000\n_cell_angle_alpha 57.70348000\n_cell_angle_beta 104.64361000\n_cell_angle_gamma 101.33606000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 123.58978819\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37235368 -0.05017387 -0.01161680 1\n C C1 1 1.00947795 0.24276788 0.47987113 1\n C C2 1 -0.05976413 0.46125783 0.29786249 1\n C C3 1 0.77612461 0.86719405 -0.06667467 1\n C C4 1 0.67430670 0.06041639 0.73831202 1\n C C5 1 0.39301300 0.24357889 0.86687866 1\n C C6 1 0.80596658 0.77573672 0.51395923 1\n C C7 1 0.77210531 0.36657346 0.17689807 1\n C C8 1 0.21729705 1.22009980 0.19602144 1\n C C9 1 0.16183629 0.41476063 0.54833799 1\n C C10 1 0.66957439 0.57051002 0.47763971 1\n C C11 1 0.51268380 0.61017748 0.29609216 1\n C C12 1 0.96383329 0.36209272 0.87806701 1\n C C13 1 0.09383149 0.54657560 -0.08876970 1\n C C14 1 0.52656284 0.89267513 0.16760068 1\n C C15 1 0.23249673 0.21541995 0.72035275 1\n C C16 1 0.50529756 0.08024629 0.55788409 1\n C C17 1 0.10507723 1.01102275 0.18659721 1\n C C18 1 0.37124047 -0.13845318 0.53600044 1\n C C19 1 0.68249416 0.59875696 -0.02690782 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51252000\n_cell_length_b 5.09229000\n_cell_length_c 6.24548000\n_cell_angle_alpha 70.87826000\n_cell_angle_beta 89.85827000\n_cell_angle_gamma 104.14168000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.91324909\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08014295 -0.00646790 0.35337257 1\n C C1 1 0.21767036 0.27765654 0.97846161 1\n C C2 1 -0.03678911 0.76267133 0.22869844 1\n C C3 1 0.56792971 -0.02890560 0.49254523 1\n C C4 1 0.31742726 0.47938180 0.75886651 1\n C C5 1 0.67811954 0.19480205 0.60600689 1\n C C6 1 0.36284991 0.56178107 0.29376784 1\n C C7 1 0.46024327 0.75782930 0.71841817 1\n C C8 1 0.55939243 0.95644179 0.84575695 1\n C C9 1 0.26857832 0.37698371 0.55945999 1\n C C10 1 0.23494357 0.30505742 0.18979354 1\n C C11 1 0.06673349 0.97261630 0.97982926 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47539000\n_cell_length_b 4.18284000\n_cell_length_c 5.38764000\n_cell_angle_alpha 112.74221000\n_cell_angle_beta 117.32489000\n_cell_angle_gamma 89.99267000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.62352363\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59240965 0.26647629 0.14945137 1\n C C1 1 0.59332204 -0.10447919 0.14947727 1\n C C2 1 0.24658134 0.47356943 0.30428566 1\n C C3 1 0.23383157 0.71717655 0.79266168 1\n C C4 1 0.23309414 0.08669737 0.79212967 1\n C C5 1 0.57852561 0.13931978 0.63737418 1\n C C6 1 0.57918128 0.50994152 0.63801433 1\n C C7 1 0.24715737 0.84277625 0.30423145 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.89064000\n_cell_length_b 4.48751000\n_cell_length_c 4.23490000\n_cell_angle_alpha 105.42978000\n_cell_angle_beta 95.79155000\n_cell_angle_gamma 124.42389000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.77811261\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24871874 0.27269575 0.34390235 1\n C C1 1 0.70670574 0.45303031 0.60024665 1\n C C2 1 0.44807814 0.85347119 0.16067112 1\n C C3 1 0.85276917 0.19532541 0.46396801 1\n C C4 1 0.67800442 0.45747433 0.96527992 1\n C C5 1 0.51592798 0.01808283 0.87601979 1\n C C6 1 0.05825035 0.83741467 0.61938037 1\n C C7 1 0.31622183 0.43732162 0.05893809 1\n C C8 1 1.08657727 0.83371581 0.25448244 1\n C C9 1 -0.08821292 0.09513248 0.75603706 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.07504000\n_cell_length_b 3.90783000\n_cell_length_c 3.51030000\n_cell_angle_alpha 80.85965000\n_cell_angle_beta 78.48554000\n_cell_angle_gamma 54.06660000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.28994738\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51988281 0.13898777 0.35372893 1\n C C1 1 0.95908156 0.19765239 0.85332834 1\n C C2 1 0.55329346 0.41172601 0.04555447 1\n C C3 1 0.11407086 0.35290464 0.54571915 1\n C C4 1 0.17270540 0.79228241 0.04548232 1\n C C5 1 0.90031351 0.75842908 0.35358709 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45251000\n_cell_length_b 4.03219000\n_cell_length_c 6.06029000\n_cell_angle_alpha 131.41005000\n_cell_angle_beta 101.70868000\n_cell_angle_gamma 90.04092000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.26263825\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.21171906 0.93400039 0.80745167 1\n C C1 1 -0.05790003 0.20630405 0.26738484 1\n C C2 1 0.78205427 0.01214128 0.94686201 1\n C C3 1 0.05114520 0.74056229 0.48690577 1\n C C4 1 0.47030649 0.07505106 0.32533033 1\n C C5 1 0.52304722 0.87135794 0.42916009 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45365000\n_cell_length_b 6.78445000\n_cell_length_c 8.27929000\n_cell_angle_alpha 72.20721000\n_cell_angle_beta 99.05803000\n_cell_angle_gamma 99.83766000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 128.48472086\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25856898 -0.02418068 0.10974280 1\n C C1 1 0.69923309 0.36714277 0.59286088 1\n C C2 1 0.34928152 0.40605973 0.83771397 1\n C C3 1 1.01634819 0.51077946 1.05880055 1\n C C4 1 1.05369768 -0.10092465 0.79573266 1\n C C5 1 -0.20622580 0.38327439 0.75535251 1\n C C6 1 0.02335296 0.21680553 0.39744022 1\n C C7 1 0.60877680 -0.06528185 0.86629277 1\n C C8 1 0.46743942 0.14514936 0.35629061 1\n C C9 1 0.94193624 0.82133035 0.65308084 1\n C C10 1 1.12142874 0.59605603 0.19019986 1\n C C11 1 0.18746147 0.59250486 0.35309772 1\n C C12 1 0.29504814 0.77139192 0.40823255 1\n C C13 1 0.71353905 0.97669137 0.02560296 1\n C C14 1 0.45691202 0.47046414 -0.01592855 1\n C C15 1 0.14869045 0.37576392 0.49278956 1\n C C16 1 0.38650645 0.78564963 0.58296099 1\n C C17 1 0.34508900 -0.03532510 0.28914720 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42555000\n_cell_length_b 3.53931000\n_cell_length_c 5.88447000\n_cell_angle_alpha 81.68299000\n_cell_angle_beta 113.34056000\n_cell_angle_gamma 108.74767000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.91321967\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43117622 0.80400879 0.13772676 1\n C C1 1 0.53896672 0.58126590 0.35999321 1\n C C2 1 0.09780501 0.47065909 0.47105994 1\n C C3 1 0.20572663 0.24793784 0.69334467 1\n C C4 1 0.87235542 0.91458813 0.02667784 1\n C C5 1 0.76456492 0.13733102 0.80441139 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.54441000\n_cell_length_b 4.97449000\n_cell_length_c 7.25580000\n_cell_angle_alpha 80.73843000\n_cell_angle_beta 69.14133000\n_cell_angle_gamma 69.06900000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 111.57493713\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29471049 0.67805823 0.85800742 1\n C C1 1 0.02127716 0.83020343 0.51373777 1\n C C2 1 -0.00553836 -0.01628886 0.84195839 1\n C C3 1 0.58483578 1.13058109 0.30458944 1\n C C4 1 0.38443289 0.31762599 0.48271138 1\n C C5 1 0.02501924 0.92135623 0.30445780 1\n C C6 1 0.60626815 0.52654070 0.68016237 1\n C C7 1 0.03447824 0.43062237 0.17449012 1\n C C8 1 0.22585716 0.19293106 0.86138938 1\n C C9 1 0.91837496 1.01760455 0.64982982 1\n C C10 1 0.53971146 0.26289201 0.65712081 1\n C C11 1 0.98034645 0.55059024 0.56371068 1\n C C12 1 0.31991908 0.11152451 0.19332621 1\n C C13 1 0.26189407 0.63014646 0.19786545 1\n C C14 1 0.59583945 0.43534614 0.28845264 1\n C C15 1 0.53622702 0.68955832 -0.00866463 1\n C C16 1 1.00530968 0.48884684 0.96265397 1\n C C17 1 0.53459746 0.00211440 0.98079909 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43072000\n_cell_length_b 5.76948000\n_cell_length_c 6.28791000\n_cell_angle_alpha 93.02457000\n_cell_angle_beta 88.86762000\n_cell_angle_gamma 78.40641000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.22058341\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.38322777 -0.06832442 0.30452573 1\n C C1 1 0.50603993 0.15180263 0.41901454 1\n C C2 1 0.17252216 0.81955855 0.25026057 1\n C C3 1 0.83941293 0.48591418 1.08398810 1\n C C4 1 0.50615741 0.15184078 0.91906789 1\n C C5 1 0.83932337 0.48604253 0.58377238 1\n C C6 1 0.28371183 0.59806341 1.13855484 1\n C C7 1 0.95050476 0.26371913 -0.02610404 1\n C C8 1 -0.04963088 0.26372503 0.47380580 1\n C C9 1 0.28366167 0.59813860 0.63850498 1\n C C10 1 1.17256235 0.81941899 0.75064742 1\n C C11 1 0.61682605 0.93153730 0.80489179 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48772000\n_cell_length_b 4.30484000\n_cell_length_c 6.57990000\n_cell_angle_alpha 123.06775000\n_cell_angle_beta 112.25538000\n_cell_angle_gamma 73.17250000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.34035630\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13290147 0.98509585 -0.03656681 1\n C C1 1 0.73347179 0.38532584 0.76362210 1\n C C2 1 0.33483250 0.78502124 0.56375768 1\n C C3 1 0.78516675 0.58507991 0.41393827 1\n C C4 1 0.53388237 0.58508109 0.16379150 1\n C C5 1 0.98278698 0.38523359 1.01369154 1\n C C6 1 0.38386528 -0.01506301 0.21355204 1\n C C7 1 0.93506333 0.18486968 0.36364234 1\n C C8 1 0.18497281 0.18505061 0.61378268 1\n C C9 1 0.58354860 0.78510270 0.81373656 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.75130000\n_cell_length_b 5.46288000\n_cell_length_c 4.63150000\n_cell_angle_alpha 82.96056000\n_cell_angle_beta 112.78513000\n_cell_angle_gamma 124.50509000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.59008569\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84140423 0.62759907 0.77163738 1\n C C1 1 0.26109141 0.56323719 0.68648086 1\n C C2 1 -0.03288474 0.61486147 0.51421856 1\n C C3 1 0.71380017 1.00389975 0.47561926 1\n C C4 1 0.30096757 0.11481729 0.76674136 1\n C C5 1 1.13923845 -0.05350978 0.43773559 1\n C C6 1 0.70119998 0.35988282 0.94482482 1\n C C7 1 0.83912412 0.99047932 0.21810026 1\n C C8 1 0.37959287 0.50349914 0.22320387 1\n C C9 1 0.05300123 0.22673805 0.74445605 1\n C C10 1 0.41999248 0.05577517 0.30369381 1\n C C11 1 0.44896768 0.74059131 0.01054294 1\n C C12 1 0.54149724 0.67227585 0.55225380 1\n C C13 1 0.97914872 0.25800354 1.04436432 1\n C C14 1 0.62782120 0.39191715 0.24471197 1\n C C15 1 0.23110429 0.87780746 0.97952453 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.81096000\n_cell_length_b 4.83080000\n_cell_length_c 4.34028000\n_cell_angle_alpha 115.44043000\n_cell_angle_beta 123.82618000\n_cell_angle_gamma 79.76156000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.06520932\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09099100 0.92771736 0.76698921 1\n C C1 1 0.81940563 0.61729103 0.49364289 1\n C C2 1 0.43894534 0.61717319 0.11134291 1\n C C3 1 1.03331240 0.42755575 0.70727196 1\n C C4 1 -0.12271831 0.11747454 0.55330440 1\n C C5 1 0.47181094 -0.07220827 0.14927283 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47798000\n_cell_length_b 2.47742000\n_cell_length_c 6.31095000\n_cell_angle_alpha 101.33218000\n_cell_angle_beta 78.67114000\n_cell_angle_gamma 120.01902000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67142959\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66362311 0.22831575 0.06190944 1\n C C1 1 0.57831236 0.31096214 0.31290362 1\n C C2 1 0.80284890 0.09149270 0.64355373 1\n C C3 1 0.10896963 0.78646882 0.72726681 1\n C C4 1 0.88398121 1.00620248 0.39610544 1\n C C5 1 0.02546949 0.86824032 -0.02175974 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48147000\n_cell_length_b 3.68853000\n_cell_length_c 4.21877000\n_cell_angle_alpha 104.86569000\n_cell_angle_beta 89.97042000\n_cell_angle_gamma 109.63852000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99478067\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22360580 0.18795901 0.68975064 1\n C C1 1 0.96674998 0.67311015 0.11812263 1\n C C2 1 0.74331857 0.22752739 -0.08817440 1\n C C3 1 0.00271142 0.74285698 0.48329119 1\n C C4 1 0.54487421 0.82946056 0.98711139 1\n C C5 1 0.42427423 0.58546842 0.61385945 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43223000\n_cell_length_b 6.10414000\n_cell_length_c 4.20199000\n_cell_angle_alpha 69.69526000\n_cell_angle_beta 89.84914000\n_cell_angle_gamma 101.80963000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.08586164\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.46969775 0.49324103 0.28993775 1\n C C1 1 0.53081432 0.49334378 0.95711528 1\n C C2 1 0.03029587 0.49326534 0.78995691 1\n C C3 1 0.36187936 0.99389211 0.52082677 1\n C C4 1 0.86136768 -0.00616555 0.35368236 1\n C C5 1 0.86188978 0.99390392 0.02085180 1\n C C6 1 0.36135868 0.99385019 0.85358897 1\n C C7 1 1.03079855 0.49330048 0.45712716 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48127000\n_cell_length_b 3.68736000\n_cell_length_c 4.21897000\n_cell_angle_alpha 105.02796000\n_cell_angle_beta 89.99789000\n_cell_angle_gamma 109.64087000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.95013689\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20452768 0.12956544 0.78775515 1\n C C1 1 0.88026694 0.48515828 0.48945252 1\n C C2 1 0.40123858 0.52631488 0.71167861 1\n C C3 1 0.65805718 0.03902792 0.28279036 1\n C C4 1 0.62586507 0.97243629 0.91821473 1\n C C5 1 0.07967046 0.88197540 0.41312273 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43297000\n_cell_length_b 4.81613000\n_cell_length_c 4.22391000\n_cell_angle_alpha 89.39850000\n_cell_angle_beta 73.29401000\n_cell_angle_gamma 75.33091000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.75570998\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89867813 0.39454167 0.15348520 1\n C C1 1 0.75792649 0.14189257 0.69125205 1\n C C2 1 0.05755823 0.60666625 0.62575694 1\n C C3 1 1.00105451 0.88263065 0.46544951 1\n C C4 1 0.14187260 0.13544508 0.92783898 1\n C C5 1 0.70300723 0.42312242 0.51824075 1\n C C6 1 1.19861855 0.85377424 0.10055979 1\n C C7 1 0.84390647 0.66999443 0.99273627 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31748000\n_cell_length_b 3.31866000\n_cell_length_c 4.88537000\n_cell_angle_alpha 72.74159000\n_cell_angle_beta 72.75346000\n_cell_angle_gamma 97.26023000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.68095728\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75824363 0.84957658 0.26890895 1\n C C1 1 0.04636194 0.68430554 0.43534719 1\n C C2 1 0.40403810 1.04160544 0.43503365 1\n C C3 1 0.40492356 0.49647074 0.26875454 1\n C C4 1 0.38966292 0.02761794 0.75169784 1\n C C5 1 0.58157277 0.67292333 0.91779363 1\n C C6 1 0.74608716 0.38488840 0.75177786 1\n C C7 1 0.93423091 0.02647413 0.91799844 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51759000\n_cell_length_b 4.14824000\n_cell_length_c 6.74066000\n_cell_angle_alpha 90.00422000\n_cell_angle_beta 89.00092000\n_cell_angle_gamma 89.99674000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.38583566\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47966278 0.43046973 0.95559044 1\n C C1 1 0.47935711 0.76256442 0.95561622 1\n C C2 1 -0.02539647 0.78278358 0.26347337 1\n C C3 1 0.45888128 0.41128856 0.58247410 1\n C C4 1 -0.03575566 -0.08995050 0.47435992 1\n C C5 1 0.45955857 0.93038290 0.78247949 1\n C C6 1 0.48074509 0.91165952 0.15507511 1\n C C7 1 0.48094259 0.28150837 0.15503108 1\n C C8 1 0.46005508 0.26241761 0.78244345 1\n C C9 1 0.96450928 0.28260687 0.47433207 1\n C C10 1 0.45850936 0.78138672 0.58249569 1\n C C11 1 -0.02516821 0.41021212 0.26345637 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46926000\n_cell_length_b 5.62985000\n_cell_length_c 5.67581000\n_cell_angle_alpha 88.29446000\n_cell_angle_beta 108.06768000\n_cell_angle_gamma 112.73946000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.81508884\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83876477 0.10315702 0.09560756 1\n C C1 1 0.47935345 0.45756864 0.90247070 1\n C C2 1 0.13639676 0.26477333 0.67243963 1\n C C3 1 0.30662281 0.61850377 0.28440666 1\n C C4 1 0.17053794 0.62270383 -0.03126998 1\n C C5 1 0.11892857 0.01844710 0.35297288 1\n C C6 1 0.54526139 0.27631202 0.51607647 1\n C C7 1 0.57562378 0.87673907 0.42848940 1\n C C8 1 0.68886615 0.46202023 0.32242147 1\n C C9 1 0.86471336 0.95518518 0.71789212 1\n C C10 1 0.41504843 0.89534098 0.86893230 1\n C C11 1 0.46291049 0.27352544 0.09625159 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45117000\n_cell_length_b 4.58309000\n_cell_length_c 5.36069000\n_cell_angle_alpha 84.43478000\n_cell_angle_beta 90.09607000\n_cell_angle_gamma 105.29416000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.79711155\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35226672 0.56947056 0.16078281 1\n C C1 1 0.77063113 0.40442400 0.07549241 1\n C C2 1 0.56487926 0.99680883 0.79612177 1\n C C3 1 0.30516121 0.47719368 0.44291390 1\n C C4 1 0.62181259 0.10829454 0.24268475 1\n C C5 1 0.13060420 0.12619992 0.40897616 1\n C C6 1 0.84936259 0.56276638 0.58932734 1\n C C7 1 1.02119703 0.90587656 0.64581334 1\n C C8 1 0.50947357 0.88182307 1.06618482 1\n C C9 1 0.73255279 0.33647005 0.81599989 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45632000\n_cell_length_b 3.66565000\n_cell_length_c 6.91596000\n_cell_angle_alpha 98.42316000\n_cell_angle_beta 110.76658000\n_cell_angle_gamma 109.61043000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.29769352\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67754592 0.33112578 0.83266847 1\n C C1 1 0.62920721 0.88700779 0.50923589 1\n C C2 1 -0.02423784 -0.20716185 0.40290275 1\n C C3 1 0.93150501 0.34999067 0.07921944 1\n C C4 1 0.96544867 1.08227701 0.74574743 1\n C C5 1 0.65649741 0.89992265 0.02910897 1\n C C6 1 0.64163792 0.59777891 0.16622133 1\n C C7 1 -0.04772880 0.78158215 0.88321012 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42880000\n_cell_length_b 4.66656000\n_cell_length_c 5.81242000\n_cell_angle_alpha 137.20604000\n_cell_angle_beta 104.03984000\n_cell_angle_gamma 73.60499000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.87219097\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36364276 0.54135111 0.73884325 1\n C C1 1 0.14125503 0.43031030 0.18420335 1\n C C2 1 0.80784150 0.76364950 0.85064806 1\n C C3 1 0.03044392 0.87465528 0.40573964 1\n C C4 1 0.69702666 0.20802886 1.07228379 1\n C C5 1 0.47457112 0.09696745 0.51749961 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34508000\n_cell_length_b 3.34466000\n_cell_length_c 8.68710000\n_cell_angle_alpha 88.72268000\n_cell_angle_beta 100.77340000\n_cell_angle_gamma 96.88863000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 94.79026798\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52102826 -0.02355869 0.52349591 1\n C C1 1 0.70318438 0.54232562 0.73104705 1\n C C2 1 0.97624723 0.21793866 0.98460651 1\n C C3 1 0.15950271 0.61451011 0.52544775 1\n C C4 1 0.79521368 0.85789295 0.27324652 1\n C C5 1 1.06381198 0.37431248 0.83150874 1\n C C6 1 0.42470140 0.73672599 0.82921062 1\n C C7 1 0.39821903 0.29079149 0.62164458 1\n C C8 1 -0.07242398 0.48580257 0.36609313 1\n C C9 1 0.18403967 0.06026047 0.73105022 1\n C C10 1 0.88291702 0.80764878 0.62126060 1\n C C11 1 0.65698341 0.89910450 -0.01674330 1\n C C12 1 0.54443521 0.71581172 1.11932162 1\n C C13 1 1.15621882 0.21920432 0.27356302 1\n C C14 1 0.22448991 0.39689886 0.12007569 1\n C C15 1 0.57261558 0.13124367 0.36509105 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43189000\n_cell_length_b 5.92032000\n_cell_length_c 4.22917000\n_cell_angle_alpha 82.66147000\n_cell_angle_beta 106.72785000\n_cell_angle_gamma 128.08387000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.79843420\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54569747 0.09713095 0.43990496 1\n C C1 1 0.81745651 0.80909387 0.84908615 1\n C C2 1 0.88117542 0.37830269 0.26653335 1\n C C3 1 0.65515036 0.34964172 0.90201371 1\n C C4 1 0.04360372 0.83771997 0.21338060 1\n C C5 1 0.15255106 0.09018625 0.67567345 1\n C C6 1 0.71004295 0.56217790 0.37381288 1\n C C7 1 -0.01195780 0.62515514 0.74123300 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48016000\n_cell_length_b 4.11580000\n_cell_length_c 6.43666000\n_cell_angle_alpha 71.37801000\n_cell_angle_beta 67.47854000\n_cell_angle_gamma 90.02978000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.94695896\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01447384 0.32531933 0.22982315 1\n C C1 1 0.26685267 0.57929436 -0.02488471 1\n C C2 1 0.89718399 0.14766158 -0.15785385 1\n C C3 1 0.38202294 0.75746869 0.36246813 1\n C C4 1 0.01447051 -0.04781914 0.22981069 1\n C C5 1 0.13786070 0.11938341 0.60237671 1\n C C6 1 0.89691167 0.51782131 0.84209828 1\n C C7 1 0.13700844 0.78481471 0.60280533 1\n C C8 1 0.38199627 0.38686194 0.36283268 1\n C C9 1 0.26691137 0.95314300 -0.02505622 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42619000\n_cell_length_b 6.67512000\n_cell_length_c 6.70823000\n_cell_angle_alpha 112.14402000\n_cell_angle_beta 89.07138000\n_cell_angle_gamma 80.39763000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 98.84455207\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06468500 0.82803372 0.79069762 1\n C C1 1 0.21415807 0.27768147 0.21089281 1\n C C2 1 0.41744017 -0.16481034 0.10753897 1\n C C3 1 0.10937176 0.48774583 0.38221193 1\n C C4 1 -0.11962758 -0.07539029 1.03077490 1\n C C5 1 0.36133983 -0.06683145 0.34838181 1\n C C6 1 0.73665272 0.17415288 0.66559073 1\n C C7 1 0.82192862 1.00679523 0.45473486 1\n C C8 1 0.53462855 0.59133025 -0.00378037 1\n C C9 1 1.08727864 0.48176709 0.92756839 1\n C C10 1 0.47268912 0.75532794 0.68398857 1\n C C11 1 0.76731729 0.16840625 1.14152623 1\n C C12 1 0.18982581 0.27057198 0.75874861 1\n C C13 1 0.56001478 0.58485673 0.47510222 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45018000\n_cell_length_b 5.53240000\n_cell_length_c 8.49384000\n_cell_angle_alpha 49.44034000\n_cell_angle_beta 81.68564000\n_cell_angle_gamma 89.99818000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.87445788\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10591168 0.63906238 0.82093281 1\n C C1 1 0.27833178 0.23556877 0.48018364 1\n C C2 1 0.84974487 0.37758816 0.33804962 1\n C C3 1 0.22145491 0.37430886 0.58813867 1\n C C4 1 0.44323161 0.21672400 0.14807820 1\n C C5 1 0.88485184 0.71663254 0.26315700 1\n C C6 1 0.44286712 0.91664478 0.14872284 1\n C C7 1 0.55252924 0.51905241 0.92587852 1\n C C8 1 0.77066206 0.58867969 0.49186399 1\n C C9 1 0.77111845 0.85996086 0.49140085 1\n C C10 1 0.55220508 0.05747714 0.92671055 1\n C C11 1 0.88538831 0.18889247 0.26236765 1\n C C12 1 0.10551708 1.14921854 0.82134166 1\n C C13 1 0.22176755 0.88158698 0.58790830 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51316000\n_cell_length_b 4.81965000\n_cell_length_c 4.18934000\n_cell_angle_alpha 125.15929000\n_cell_angle_beta 72.49221000\n_cell_angle_gamma 121.48129000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.37940221\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44096184 0.10946574 0.39844038 1\n C C1 1 0.77182786 0.43995390 0.39835946 1\n C C2 1 -0.07797322 0.39642256 0.01041002 1\n C C3 1 0.92183335 0.78441666 0.78648090 1\n C C4 1 0.29012934 0.15314539 0.78644733 1\n C C5 1 0.29014983 0.76512164 1.01033101 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45242000\n_cell_length_b 4.07092000\n_cell_length_c 4.54823000\n_cell_angle_alpha 86.78167000\n_cell_angle_beta 105.43827000\n_cell_angle_gamma 89.93695000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.69421989\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18018802 0.34621840 0.07346009 1\n C C1 1 0.91515212 0.16922326 0.54359230 1\n C C2 1 0.60811400 0.85111353 -0.07058467 1\n C C3 1 0.07768461 0.04081854 0.86948302 1\n C C4 1 0.34497994 0.22434939 0.40064173 1\n C C5 1 0.64972751 0.53576357 0.01421873 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48115000\n_cell_length_b 3.68849000\n_cell_length_c 4.21823000\n_cell_angle_alpha 75.12754000\n_cell_angle_beta 90.09734000\n_cell_angle_gamma 109.62844000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99082018\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06362648 0.29011161 1.01212477 1\n C C1 1 0.32383891 0.80504371 0.44033587 1\n C C2 1 0.84326573 0.84474329 0.21820414 1\n C C3 1 0.10291672 0.36013504 0.64685104 1\n C C4 1 0.64182736 0.44647740 0.14315976 1\n C C5 1 0.52410810 0.20260524 0.51633173 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45410000\n_cell_length_b 4.59197000\n_cell_length_c 5.36037000\n_cell_angle_alpha 95.46039000\n_cell_angle_beta 89.96653000\n_cell_angle_gamma 105.52684000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.91867630\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90424551 0.23323457 0.84161640 1\n C C1 1 0.45156699 0.32433525 0.69107442 1\n C C2 1 0.70385276 0.82614925 0.12260953 1\n C C3 1 1.12097707 0.66118982 0.20709652 1\n C C4 1 0.16683455 0.75457579 0.49038661 1\n C C5 1 0.85335930 1.12241772 0.28853182 1\n C C6 1 0.73484015 0.89452494 0.86324392 1\n C C7 1 0.34410508 0.10504946 0.45507467 1\n C C8 1 0.62359471 0.66897107 0.63698415 1\n C C9 1 -0.03642803 0.34952423 0.11230485 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48076000\n_cell_length_b 3.68803000\n_cell_length_c 4.89629000\n_cell_angle_alpha 67.03489000\n_cell_angle_beta 59.51424000\n_cell_angle_gamma 70.36495000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00179094\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64834106 0.90315263 0.06489126 1\n C C1 1 0.60977947 -0.01159122 0.56107577 1\n C C2 1 0.89983364 0.14527607 0.69231946 1\n C C3 1 -0.07694155 0.50523474 0.98920853 1\n C C4 1 0.93960135 0.05964978 1.19589142 1\n C C5 1 0.62542903 0.54299480 0.76776426 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.59103000\n_cell_length_b 4.60979000\n_cell_length_c 4.61822000\n_cell_angle_alpha 77.41403000\n_cell_angle_beta 73.13152000\n_cell_angle_gamma 73.46436000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.05049459\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97636777 0.46680636 0.48657796 1\n C C1 1 -0.20774009 0.50087708 0.82260789 1\n C C2 1 0.60983966 0.83710273 0.85651682 1\n C C3 1 0.69730946 -0.01766362 0.53728142 1\n C C4 1 0.79282219 0.26789540 0.05630486 1\n C C5 1 0.60941276 0.30183114 0.39211037 1\n C C6 1 -0.02421541 0.93201985 1.02177061 1\n C C7 1 0.88910545 0.78539185 0.34099106 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32028000\n_cell_length_b 3.51199000\n_cell_length_c 3.51330000\n_cell_angle_alpha 60.13387000\n_cell_angle_beta 89.96768000\n_cell_angle_gamma 89.96965000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.52695848\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73265945 0.50390801 0.20850320 1\n C C1 1 0.23247012 -0.03229575 0.28078565 1\n C C2 1 0.90031461 0.96733713 0.97617485 1\n C C3 1 0.40020773 0.50429556 0.51362611 1\n C C4 1 0.56660714 0.27171173 -0.02324109 1\n C C5 1 0.06668085 0.19970052 0.51301488 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45442000\n_cell_length_b 5.99645000\n_cell_length_c 5.76973000\n_cell_angle_alpha 72.14681000\n_cell_angle_beta 90.03262000\n_cell_angle_gamma 65.84375000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.97000536\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21085479 0.71612269 0.52472765 1\n C C1 1 0.08343315 0.34520592 0.87240005 1\n C C2 1 0.22579928 0.69910769 0.24412677 1\n C C3 1 0.50748456 0.42029760 0.25957181 1\n C C4 1 0.54457211 0.88260906 0.51771370 1\n C C5 1 0.33843157 0.08927322 0.63004431 1\n C C6 1 0.10223665 0.32720026 0.14960414 1\n C C7 1 0.38024867 1.04623300 0.26057296 1\n C C8 1 0.36893368 0.05999403 0.88689210 1\n C C9 1 0.48406307 0.44355784 0.70880361 1\n C C10 1 0.55979439 0.86395113 0.12777977 1\n C C11 1 0.66315699 0.26417753 0.54061952 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43235000\n_cell_length_b 6.41333000\n_cell_length_c 5.65483000\n_cell_angle_alpha 91.66578000\n_cell_angle_beta 88.51717000\n_cell_angle_gamma 100.74394000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.61053676\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37229397 0.74694301 0.45703402 1\n C C1 1 0.86960831 0.62738183 -0.04269294 1\n C C2 1 0.14881167 0.30200804 0.45767222 1\n C C3 1 0.81550636 0.63593706 0.45707401 1\n C C4 1 0.53566480 0.96008476 -0.04236273 1\n C C5 1 0.70616788 0.41397006 0.45736271 1\n C C6 1 0.31240923 0.51586318 0.95730379 1\n C C7 1 0.20284899 0.29390557 0.95780660 1\n C C8 1 0.64541364 0.18204990 -0.04213066 1\n C C9 1 0.03888225 0.08002741 0.45760999 1\n C C10 1 0.97884623 0.84925785 0.95744400 1\n C C11 1 0.48189955 -0.03117608 0.45759287 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42545000\n_cell_length_b 5.33508000\n_cell_length_c 8.44093000\n_cell_angle_alpha 141.45874000\n_cell_angle_beta 90.03658000\n_cell_angle_gamma 90.00542000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.05589138\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28399163 0.36995236 0.73959841 1\n C C1 1 0.28379627 0.32017397 -0.10915051 1\n C C2 1 0.78373692 0.19372164 0.41207594 1\n C C3 1 0.28370818 0.27762185 0.37778370 1\n C C4 1 0.78374793 0.14444615 0.56328173 1\n C C5 1 0.28364610 0.78315266 0.87592134 1\n C C6 1 0.78384176 0.23678969 -0.07482304 1\n C C7 1 0.78379432 -0.05150200 0.90840562 1\n C C8 1 0.28388050 0.56589207 0.39458306 1\n C C9 1 0.78390439 0.73126161 0.42733354 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41138000\n_cell_length_b 3.60593000\n_cell_length_c 6.97272000\n_cell_angle_alpha 70.99735000\n_cell_angle_beta 79.84817000\n_cell_angle_gamma 70.01135000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.72816463\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49101561 0.35383289 0.10840028 1\n C C1 1 0.28462069 0.78984980 0.08841643 1\n C C2 1 0.27007807 0.24633424 0.66478974 1\n C C3 1 0.16231096 0.80456799 0.31749712 1\n C C4 1 0.74862251 0.18377083 0.76909068 1\n C C5 1 0.31528502 0.37256534 0.44405438 1\n C C6 1 0.52478411 0.08089583 0.32046639 1\n C C7 1 0.70462573 0.04659179 -0.00747521 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43037000\n_cell_length_b 5.59101000\n_cell_length_c 3.23141000\n_cell_angle_alpha 90.74034000\n_cell_angle_beta 91.06148000\n_cell_angle_gamma 101.96241000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.94190267\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02372965 0.45057838 0.79009480 1\n C C1 1 0.24561091 0.89665111 0.22985879 1\n C C2 1 0.91187385 0.22830165 0.56906516 1\n C C3 1 0.57891403 0.56279271 0.89873615 1\n C C4 1 0.69041835 0.78476561 0.12062640 1\n C C5 1 0.35679151 0.11639755 0.45971239 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48764000\n_cell_length_b 4.30483000\n_cell_length_c 4.30523000\n_cell_angle_alpha 70.55292000\n_cell_angle_beta 90.00197000\n_cell_angle_gamma 89.99964000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47386818\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35070629 0.27899948 0.27143202 1\n C C1 1 0.35082942 0.15392440 0.64637013 1\n C C2 1 0.85070362 0.15396252 0.14637117 1\n C C3 1 0.35097533 0.65396361 0.14625961 1\n C C4 1 0.85110180 0.65392365 0.64626061 1\n C C5 1 0.35110447 0.77896061 0.77132146 1\n C C6 1 0.85097867 0.77899872 0.27132250 1\n C C7 1 0.85083276 0.27895952 0.77143302 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43252000\n_cell_length_b 3.20233000\n_cell_length_c 8.74682000\n_cell_angle_alpha 114.72319000\n_cell_angle_beta 106.13059000\n_cell_angle_gamma 92.94448000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.34693150\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47243967 0.29958549 0.69731962 1\n C C1 1 1.22218109 0.29817389 0.94698936 1\n C C2 1 0.72245686 0.29949203 0.44731636 1\n C C3 1 -0.02787808 0.29800862 0.19695659 1\n C C4 1 0.55597219 1.30045520 0.28090063 1\n C C5 1 0.05608263 0.30080336 0.78110242 1\n C C6 1 0.30618870 0.30143348 0.53116435 1\n C C7 1 0.80586083 0.29987903 1.03083957 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.79804000\n_cell_length_b 4.08116000\n_cell_length_c 4.81786000\n_cell_angle_alpha 111.17276000\n_cell_angle_beta 87.90793000\n_cell_angle_gamma 119.44229000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.99792378\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06207067 0.14072806 0.61740956 1\n C C1 1 0.50097310 0.58176779 0.11695120 1\n C C2 1 0.85005561 0.92705756 0.80920503 1\n C C3 1 0.46933697 0.54627999 0.80933126 1\n C C4 1 0.11922623 0.20138322 0.11732410 1\n C C5 1 0.90687543 -0.01251453 0.30900526 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46640000\n_cell_length_b 3.62643000\n_cell_length_c 6.53624000\n_cell_angle_alpha 74.13606000\n_cell_angle_beta 82.57036000\n_cell_angle_gamma 62.35689000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.81584580\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36437664 0.41807763 0.80500437 1\n C C1 1 0.51786101 0.13195596 0.64562280 1\n C C2 1 0.01815410 0.19606689 0.51704094 1\n C C3 1 0.01296886 0.30648640 0.30649635 1\n C C4 1 0.51270300 0.37128245 0.17776877 1\n C C5 1 0.66424567 1.08573030 0.01842982 1\n C C6 1 0.66666962 0.69094692 0.80476978 1\n C C7 1 0.36222489 0.81285644 0.01868418 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47263000\n_cell_length_b 4.85893000\n_cell_length_c 11.77974000\n_cell_angle_alpha 83.54153000\n_cell_angle_beta 98.33809000\n_cell_angle_gamma 88.27010000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 138.98538082\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55927588 0.43745348 0.34887525 1\n C C1 1 0.78229102 0.85464901 1.08564180 1\n C C2 1 0.03151830 0.01941076 0.42703294 1\n C C3 1 0.74528252 0.52590843 0.46709320 1\n C C4 1 0.77348629 0.36713534 0.08193752 1\n C C5 1 0.45502301 0.12322887 0.59719198 1\n C C6 1 -0.26764864 0.12372369 1.02228216 1\n C C7 1 0.03110869 0.40647097 0.73504585 1\n C C8 1 0.52342001 0.24532330 0.70878738 1\n C C9 1 0.34642985 0.83222219 0.17259406 1\n C C10 1 0.48856239 0.11613622 0.35566626 1\n C C11 1 0.97936910 0.71129738 0.69249480 1\n C C12 1 0.41603836 0.80139814 0.62079396 1\n C C13 1 0.91868424 0.20536186 0.52705291 1\n C C14 1 0.32110852 0.34463951 0.16117402 1\n C C15 1 0.58030089 0.01871273 0.80931030 1\n C C16 1 0.40021312 0.55892781 0.23961345 1\n C C17 1 0.64406056 0.20271797 0.90045037 1\n C C18 1 0.15682293 0.63989822 0.92198530 1\n C C19 1 1.23456647 0.70693187 0.49334969 1\n C C20 1 0.37889019 1.07616758 0.23293388 1\n C C21 1 0.71324791 0.63790305 1.00120988 1\n C C22 1 0.11790728 0.37467328 0.86785765 1\n C C23 1 1.08064523 0.84896595 0.80958476 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42993000\n_cell_length_b 2.42958000\n_cell_length_c 8.46568000\n_cell_angle_alpha 92.23888000\n_cell_angle_beta 95.23460000\n_cell_angle_gamma 120.01336000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.88827692\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20006906 0.47685429 0.38981762 1\n C C1 1 0.36478619 -0.01479077 1.05746747 1\n C C2 1 0.47640988 0.46037295 0.72439988 1\n C C3 1 -0.13347303 -0.18946113 0.38996476 1\n C C4 1 1.03150389 1.31807065 1.05745226 1\n C C5 1 0.81041281 0.12708680 0.72483522 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48443000\n_cell_length_b 4.08719000\n_cell_length_c 4.67589000\n_cell_angle_alpha 96.69487000\n_cell_angle_beta 105.31013000\n_cell_angle_gamma 89.97706000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.46035753\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84166400 0.42274225 0.54776040 1\n C C1 1 0.18676542 0.01713159 0.23510053 1\n C C2 1 0.35576237 0.94824860 0.57590907 1\n C C3 1 0.56826098 0.48422834 0.00620238 1\n C C4 1 0.68573461 0.24194068 0.23313849 1\n C C5 1 0.06704703 0.71091513 0.00382318 1\n C C6 1 0.41288874 0.30416482 0.69164222 1\n C C7 1 0.89746745 0.77815439 0.66180591 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27134000\n_cell_length_b 3.63667000\n_cell_length_c 3.26997000\n_cell_angle_alpha 104.62461000\n_cell_angle_beta 80.78948000\n_cell_angle_gamma 104.62372000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22906823\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85056453 0.18403803 0.73567276 1\n C C1 1 0.63921679 0.42077166 0.52442201 1\n C C2 1 0.48893821 0.18392778 0.09754732 1\n C C3 1 0.27742028 0.42057603 0.88606580 1\n C C4 1 0.22260623 0.80229618 0.15277032 1\n C C5 1 0.90546637 0.80239052 0.46944468 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43935000\n_cell_length_b 5.64012000\n_cell_length_c 5.93062000\n_cell_angle_alpha 64.36336000\n_cell_angle_beta 78.16827000\n_cell_angle_gamma 90.02612000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 71.63083960\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63875983 -0.09048377 0.94918327 1\n C C1 1 1.06134022 0.83440718 0.10352136 1\n C C2 1 0.43671974 1.01524308 0.36027670 1\n C C3 1 0.34641242 0.13446655 0.54536515 1\n C C4 1 0.76938403 1.05512994 0.69926732 1\n C C5 1 0.43178701 0.42348382 0.37038132 1\n C C6 1 -0.02722730 0.54734030 0.28546009 1\n C C7 1 0.97564146 0.96488170 0.27941508 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38841000\n_cell_length_b 2.46218000\n_cell_length_c 6.08116000\n_cell_angle_alpha 78.36291000\n_cell_angle_beta 60.35252000\n_cell_angle_gamma 68.89082000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.11632508\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35411453 0.77359725 0.93336198 1\n C C1 1 0.41750885 0.17986940 0.05961988 1\n C C2 1 0.86677399 0.35614903 0.25573890 1\n C C3 1 0.66152012 0.31511455 0.53119469 1\n C C4 1 0.56609354 0.79979497 0.65755336 1\n C C5 1 -0.19766863 0.95130721 0.12968740 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38278000\n_cell_length_b 2.45112000\n_cell_length_c 5.37192000\n_cell_angle_alpha 89.98500000\n_cell_angle_beta 78.24462000\n_cell_angle_gamma 69.56683000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.74172830\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.13519164 0.67007174 0.40991108 1\n C C1 1 0.81683377 0.69779835 0.68564908 1\n C C2 1 0.92153665 0.13801159 0.00807993 1\n C C3 1 0.13610372 0.53469023 0.87684802 1\n C C4 1 -0.13330982 0.16812659 0.28415102 1\n C C5 1 0.60375621 0.30033250 0.81654586 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48635000\n_cell_length_b 4.30434000\n_cell_length_c 4.30687000\n_cell_angle_alpha 80.36241000\n_cell_angle_beta 125.25613000\n_cell_angle_gamma 73.25275000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59402621\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58530462 0.68255265 0.80945391 1\n C C1 1 0.91863795 0.34921932 0.47612058 1\n C C2 1 1.00198968 0.01594435 0.39283842 1\n C C3 1 0.66865635 0.34927768 0.72617176 1\n C C4 1 0.25197129 0.01588598 0.14278724 1\n C C5 1 0.33532301 0.68261102 0.05950509 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43278000\n_cell_length_b 3.30458000\n_cell_length_c 9.97122000\n_cell_angle_alpha 101.68585000\n_cell_angle_beta 68.37628000\n_cell_angle_gamma 89.81123000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.70782381\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49202096 0.28150539 -0.03002260 1\n C C1 1 0.29275683 0.47743558 0.76919037 1\n C C2 1 0.09415641 0.68047804 0.56982932 1\n C C3 1 0.89274934 0.54242673 0.70213804 1\n C C4 1 0.69359698 0.07960497 0.16970040 1\n C C5 1 0.49199687 -0.05662047 0.30239716 1\n C C6 1 0.29342990 0.14501588 0.10267306 1\n C C7 1 0.89222274 0.87709075 0.36916515 1\n C C8 1 0.69426325 0.74581475 0.50285018 1\n C C9 1 0.09227802 0.34716877 0.90306683 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43234000\n_cell_length_b 5.81835000\n_cell_length_c 4.61919000\n_cell_angle_alpha 66.85776000\n_cell_angle_beta 77.68326000\n_cell_angle_gamma 75.75297000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.76188560\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21903822 0.75953151 0.77573719 1\n C C1 1 -0.11465607 0.09406047 0.10823954 1\n C C2 1 0.38535524 0.59383482 0.60852535 1\n C C3 1 0.46891783 1.01067379 0.02437821 1\n C C4 1 0.71901408 0.25989518 0.27526405 1\n C C5 1 0.13523296 0.34498472 0.35714160 1\n C C6 1 0.63524575 0.84460851 0.85764863 1\n C C7 1 0.96890048 0.51047770 0.52465013 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42647000\n_cell_length_b 4.23042000\n_cell_length_c 4.23100000\n_cell_angle_alpha 86.91064000\n_cell_angle_beta 89.95023000\n_cell_angle_gamma 89.95761000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.36801542\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16418319 1.01334937 -0.00209908 1\n C C1 1 1.16492500 0.36294790 -0.06246880 1\n C C2 1 0.66367544 -0.06931761 0.50494528 1\n C C3 1 0.66446055 0.86990394 0.85457464 1\n C C4 1 0.16378229 0.95207092 0.34783511 1\n C C5 1 0.66487983 0.52019568 0.91553215 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42620000\n_cell_length_b 4.22803000\n_cell_length_c 5.87214000\n_cell_angle_alpha 46.02653000\n_cell_angle_beta 90.00109000\n_cell_angle_gamma 89.99679000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.35001498\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88392739 0.80840870 0.32148237 1\n C C1 1 0.38389094 0.67548056 0.47823698 1\n C C2 1 0.38425312 0.67438009 0.88811264 1\n C C3 1 0.38421361 0.38620644 0.82740876 1\n C C4 1 0.88420114 0.80699975 0.91221475 1\n C C5 1 0.88416820 0.09612097 -0.02754432 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49017000\n_cell_length_b 6.39901000\n_cell_length_c 6.36447000\n_cell_angle_alpha 105.86097000\n_cell_angle_beta 101.31171000\n_cell_angle_gamma 101.25437000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.27228745\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69658373 0.89476919 -0.07734115 1\n C C1 1 0.39015858 0.38918912 0.81972113 1\n C C2 1 0.28744661 0.93090801 0.06861731 1\n C C3 1 0.05532847 -0.04996912 0.59119221 1\n C C4 1 1.04385725 0.36659142 0.15317374 1\n C C5 1 1.24618385 0.63532273 0.28330805 1\n C C6 1 0.26136320 0.36853765 0.57914852 1\n C C7 1 0.66396403 0.01155972 0.74525122 1\n C C8 1 0.56881829 0.31240535 0.25794982 1\n C C9 1 0.85041749 0.68914148 0.43599308 1\n C C10 1 0.87084183 0.28343919 0.88656189 1\n C C11 1 0.47746666 1.09446150 0.29421780 1\n C C12 1 0.57766748 0.63505030 0.94519260 1\n C C13 1 0.05456376 0.10492890 0.43754484 1\n C C14 1 0.77106331 0.46425321 0.50158486 1\n C C15 1 0.18176905 0.70342586 0.08308750 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28772000\n_cell_length_b 3.28618000\n_cell_length_c 4.79929000\n_cell_angle_alpha 107.30040000\n_cell_angle_beta 73.05378000\n_cell_angle_gamma 81.87636000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.85702202\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35116915 0.80155066 0.29610595 1\n C C1 1 0.71235368 0.44150015 0.29627260 1\n C C2 1 0.71276407 0.48195464 0.61551404 1\n C C3 1 0.71230921 0.94145692 0.79628483 1\n C C4 1 0.71282175 0.98197614 0.11552580 1\n C C5 1 0.07354373 0.62125835 0.11520151 1\n C C6 1 0.35112214 0.30151189 0.79608702 1\n C C7 1 0.07344908 1.12125336 0.61520433 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52441000\n_cell_length_b 4.75514000\n_cell_length_c 4.87875000\n_cell_angle_alpha 66.74704000\n_cell_angle_beta 63.28827000\n_cell_angle_gamma 67.60597000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.56351913\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00258703 0.55227103 0.96659542 1\n C C1 1 1.10037505 0.20875320 -0.01217615 1\n C C2 1 1.05631250 0.73582366 0.67833746 1\n C C3 1 0.37755473 0.22280755 0.61992691 1\n C C4 1 0.54475115 0.04766290 0.16782068 1\n C C5 1 0.80668229 0.68203557 0.23405158 1\n C C6 1 0.08892240 1.06646801 0.52711768 1\n C C7 1 0.23033255 0.57193508 0.44082803 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.75349000\n_cell_length_b 7.70528000\n_cell_length_c 4.19439000\n_cell_angle_alpha 98.70621000\n_cell_angle_beta 108.05861000\n_cell_angle_gamma 118.49993000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 119.84305847\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42866375 0.40570738 0.43171603 1\n C C1 1 0.91902827 0.38379285 0.45925052 1\n C C2 1 1.20061177 0.47351863 0.36637224 1\n C C3 1 -0.17755585 0.89196693 -0.06491388 1\n C C4 1 0.34778149 0.24726918 0.58254717 1\n C C5 1 0.53963629 0.15637017 0.67262349 1\n C C6 1 0.19214948 0.62563638 0.21726337 1\n C C7 1 0.07442449 0.00531137 0.82414792 1\n C C8 1 0.72797625 0.47534184 0.37044825 1\n C C9 1 0.37925866 1.00589859 0.82602885 1\n C C10 1 0.06612309 0.15742383 0.67527723 1\n C C11 1 0.74689573 0.73586462 0.09937835 1\n C C12 1 0.83833875 0.22531666 0.61026639 1\n C C13 1 0.51631605 0.89275755 0.93656200 1\n C C14 1 0.88771340 0.62541183 0.21610805 1\n C C15 1 0.44062697 0.73650380 0.10066001 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.55102000\n_cell_length_b 3.55047000\n_cell_length_c 5.74815000\n_cell_angle_alpha 82.23048000\n_cell_angle_beta 99.51811000\n_cell_angle_gamma 88.50382000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.73049075\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43211339 0.85747713 0.56757046 1\n C C1 1 1.05126016 0.21258256 1.09044568 1\n C C2 1 0.55121021 0.71263355 0.09054217 1\n C C3 1 0.21814402 0.07238631 0.71076899 1\n C C4 1 0.84772902 -0.07404451 0.25191036 1\n C C5 1 0.26537581 0.99920083 -0.05238190 1\n C C6 1 0.71762876 0.57205634 0.71085384 1\n C C7 1 -0.06792596 0.35750490 0.56768327 1\n C C8 1 0.76577768 0.49975641 0.94775290 1\n C C9 1 0.34776513 0.42580126 0.25193923 1\n C C10 1 0.13911906 0.64153343 0.40665200 1\n C C11 1 0.63925570 0.14151029 0.40667320 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27333000\n_cell_length_b 4.40747000\n_cell_length_c 6.79299000\n_cell_angle_alpha 79.86418000\n_cell_angle_beta 76.43721000\n_cell_angle_gamma 90.58387000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 93.64765866\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45899651 0.67702937 0.46936576 1\n C C1 1 0.44611430 0.63169679 0.26121707 1\n C C2 1 0.76607602 0.89949846 0.48852805 1\n C C3 1 0.50231667 0.31205485 0.25326438 1\n C C4 1 0.43554876 0.17574199 0.09169520 1\n C C5 1 0.66605752 0.18909442 0.42381871 1\n C C6 1 0.56266602 0.37564027 0.57908904 1\n C C7 1 1.02070168 0.76384291 0.62716309 1\n C C8 1 -0.17808707 0.44078298 0.72374491 1\n C C9 1 0.40475190 0.39848773 0.90516294 1\n C C10 1 0.29231024 0.72526679 0.93202389 1\n C C11 1 1.14437060 0.91205762 0.78735255 1\n C C12 1 0.39715666 0.85386305 0.09761838 1\n C C13 1 0.17708940 0.25228566 0.76206975 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48221000\n_cell_length_b 3.68781000\n_cell_length_c 4.21741000\n_cell_angle_alpha 104.88368000\n_cell_angle_beta 89.95640000\n_cell_angle_gamma 109.63525000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98544705\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02722798 0.59072692 0.78887697 1\n C C1 1 0.56881022 0.67906226 0.29336680 1\n C C2 1 0.99048835 0.52211073 0.42407713 1\n C C3 1 0.44890612 0.43377539 -0.08041270 1\n C C4 1 0.24861612 0.03607207 -0.00479660 1\n C C5 1 0.76910021 1.07676558 0.21775070 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48680000\n_cell_length_b 6.18731000\n_cell_length_c 7.33975000\n_cell_angle_alpha 130.95702000\n_cell_angle_beta 70.18811000\n_cell_angle_gamma 101.60995000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.20485227\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18937625 0.92294440 0.87920933 1\n C C1 1 0.58980591 0.80695161 0.92056433 1\n C C2 1 0.67516425 0.51376037 0.68709771 1\n C C3 1 0.01427763 0.14656680 0.66519888 1\n C C4 1 0.96811549 0.29283844 0.28236881 1\n C C5 1 0.78874643 0.35056298 0.99338555 1\n C C6 1 0.77217481 0.74855374 0.20914356 1\n C C7 1 0.16732633 0.34026315 0.60780279 1\n C C8 1 0.36949708 0.17671491 0.32349183 1\n C C9 1 0.88076769 0.58608138 0.51586615 1\n C C10 1 0.37169477 -0.14551560 0.16184332 1\n C C11 1 0.38868126 0.75971599 0.59487106 1\n C C12 1 0.54553811 0.95262630 0.53637563 1\n C C13 1 0.18867300 0.24484572 1.04084995 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46206000\n_cell_length_b 4.27584000\n_cell_length_c 5.58691000\n_cell_angle_alpha 82.93828000\n_cell_angle_beta 89.68142000\n_cell_angle_gamma 87.64303000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.31994952\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97141478 0.94261448 0.16121788 1\n C C1 1 0.68349162 0.31801580 0.45177917 1\n C C2 1 0.62505201 0.78798566 0.78710167 1\n C C3 1 0.10879436 0.83465860 0.42467244 1\n C C4 1 0.31111019 0.45533107 1.05366417 1\n C C5 1 0.17067280 0.56941675 0.78646409 1\n C C6 1 0.81721315 0.30011104 0.16884737 1\n C C7 1 0.16501374 0.48331386 0.52765490 1\n C C8 1 0.47780984 0.82093820 1.04869639 1\n C C9 1 0.62164131 0.97171594 0.53669882 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45598000\n_cell_length_b 3.65128000\n_cell_length_c 6.29842000\n_cell_angle_alpha 103.64649000\n_cell_angle_beta 90.27651000\n_cell_angle_gamma 109.38231000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.56245131\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07916721 0.52219798 0.13144878 1\n C C1 1 0.53888763 0.75788102 0.47185375 1\n C C2 1 0.26188626 0.20423076 0.79265548 1\n C C3 1 0.31591897 0.31190925 0.41783433 1\n C C4 1 0.76485862 0.20909121 0.27202218 1\n C C5 1 0.15880158 -0.00088820 0.55743386 1\n C C6 1 0.81702663 0.31519001 0.89584526 1\n C C7 1 0.54069642 0.76297027 0.21797185 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45185000\n_cell_length_b 5.51714000\n_cell_length_c 8.22573000\n_cell_angle_alpha 116.07225000\n_cell_angle_beta 90.00252000\n_cell_angle_gamma 90.13580000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 99.94785307\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27337252 0.50705508 0.96354547 1\n C C1 1 0.77105462 0.88633226 0.44589028 1\n C C2 1 0.27185946 0.03005707 0.42886067 1\n C C3 1 0.27226650 0.64805611 0.16360480 1\n C C4 1 0.77193500 1.07322903 0.18148736 1\n C C5 1 0.27033705 -0.01278438 0.90238986 1\n C C6 1 0.77205119 0.61704096 0.26204818 1\n C C7 1 0.27370605 0.43633303 0.43396628 1\n C C8 1 0.77071692 0.01741283 0.99180719 1\n C C9 1 0.76953271 0.88445617 0.62461038 1\n C C10 1 0.77344036 0.46759566 0.86950247 1\n C C11 1 0.27330702 0.34462924 0.57857048 1\n C C12 1 0.77349983 0.39399836 0.68442692 1\n C C13 1 0.77318212 0.39534919 0.32670162 1\n C C14 1 0.27171469 0.96325956 0.23059023 1\n C C15 1 0.26954094 -0.08883219 0.71439020 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48131000\n_cell_length_b 3.68952000\n_cell_length_c 4.84469000\n_cell_angle_alpha 57.35673000\n_cell_angle_beta 75.15152000\n_cell_angle_gamma 70.32135000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00942304\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00079400 0.56966026 0.51314007 1\n C C1 1 0.26081957 0.62567536 -0.05879224 1\n C C2 1 0.03655039 0.86457318 1.14799608 1\n C C3 1 0.45801553 0.15212334 0.01717264 1\n C C4 1 0.57905112 0.28191964 0.64420383 1\n C C5 1 0.78019370 0.80836332 0.71968411 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.43025000\n_cell_length_b 4.16007000\n_cell_length_c 4.89014000\n_cell_angle_alpha 62.99712000\n_cell_angle_beta 56.49775000\n_cell_angle_gamma 75.48278000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.95996619\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77846250 0.94896025 0.16360570 1\n C C1 1 0.42457944 0.81768584 0.02110005 1\n C C2 1 0.77857165 0.30761711 0.81401287 1\n C C3 1 0.11019232 0.71544687 0.02221772 1\n C C4 1 0.77845439 0.07807712 0.39207177 1\n C C5 1 0.42469021 0.21167026 -0.11253433 1\n C C6 1 0.11013697 0.31351788 0.20085420 1\n C C7 1 0.13250552 0.81756226 0.66721177 1\n C C8 1 0.13245688 0.21161032 0.53355145 1\n C C9 1 0.44692228 0.31345053 0.53242352 1\n C C10 1 0.77844183 0.72098601 0.74121956 1\n C C11 1 0.44678262 0.71535024 0.35386632 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45340000\n_cell_length_b 5.63883000\n_cell_length_c 4.16952000\n_cell_angle_alpha 60.46350000\n_cell_angle_beta 89.98175000\n_cell_angle_gamma 77.35115000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.57295225\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04988964 0.81851045 0.43401080 1\n C C1 1 0.70881859 0.29274872 -0.12600187 1\n C C2 1 0.51380938 0.68948286 0.02667141 1\n C C3 1 0.21683015 0.27433833 0.73089889 1\n C C4 1 1.24922824 0.21603403 0.42345771 1\n C C5 1 0.42055597 0.87692707 0.57877069 1\n C C6 1 -0.01672239 0.74829480 0.17106894 1\n C C7 1 0.68262391 0.35047815 0.18193933 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43088000\n_cell_length_b 4.20389000\n_cell_length_c 5.87469000\n_cell_angle_alpha 73.36720000\n_cell_angle_beta 83.53311000\n_cell_angle_gamma 90.14742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.11821606\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25182360 0.52818497 0.10640800 1\n C C1 1 0.75145983 0.69495111 0.10735994 1\n C C2 1 0.25144317 0.19493038 0.10739815 1\n C C3 1 0.86988779 0.56280351 0.60737508 1\n C C4 1 0.75180581 0.02816695 0.10644254 1\n C C5 1 0.36956823 0.72960492 0.60830656 1\n C C6 1 0.36988546 1.06279877 0.60739093 1\n C C7 1 -0.13043108 0.22959620 0.60831741 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39576000\n_cell_length_b 3.31163000\n_cell_length_c 5.87156000\n_cell_angle_alpha 80.85521000\n_cell_angle_beta 63.95303000\n_cell_angle_gamma 87.38562000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.54664346\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22405908 1.01732022 0.70816959 1\n C C1 1 0.37678424 0.29202285 0.26513041 1\n C C2 1 0.73687668 0.51892800 0.69022681 1\n C C3 1 0.70904868 -0.06521568 0.26465263 1\n C C4 1 0.75800468 0.59927677 0.11060302 1\n C C5 1 0.43896108 0.14386522 0.86430476 1\n C C6 1 0.10197589 0.24750643 0.12674630 1\n C C7 1 0.77927210 0.80675000 0.85807767 1\n C C8 1 0.19405844 0.39116089 0.53841906 1\n C C9 1 0.50517964 0.72249751 0.54008854 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48476000\n_cell_length_b 5.64679000\n_cell_length_c 5.12645000\n_cell_angle_alpha 123.47973000\n_cell_angle_beta 90.00258000\n_cell_angle_gamma 89.99070000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.99444625\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03818367 0.83821740 0.76017155 1\n C C1 1 0.46178365 0.43047553 0.36383448 1\n C C2 1 0.46176579 0.15770256 0.66656226 1\n C C3 1 0.96178872 0.15122021 0.84631572 1\n C C4 1 0.96189758 0.61215341 0.84622224 1\n C C5 1 0.46180333 0.74039507 0.56466148 1\n C C6 1 -0.03826528 0.39495229 0.17580669 1\n C C7 1 -0.03823452 0.69779158 0.17599129 1\n C C8 1 0.46188439 0.42544114 0.66633722 1\n C C9 1 0.46183209 0.84968081 0.36450248 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47432000\n_cell_length_b 5.78311000\n_cell_length_c 7.55052000\n_cell_angle_alpha 103.93564000\n_cell_angle_beta 80.55947000\n_cell_angle_gamma 89.97106000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 103.35179731\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13584346 0.04662275 0.43595492 1\n C C1 1 0.72285693 0.51830160 0.25885430 1\n C C2 1 0.01419221 0.49039863 0.68469305 1\n C C3 1 -0.07797477 0.42442407 0.86765758 1\n C C4 1 -0.05352554 0.14843959 0.82133254 1\n C C5 1 0.27241605 0.50988524 0.16251967 1\n C C6 1 0.42200331 0.02544795 0.86966210 1\n C C7 1 0.36758482 0.50642071 0.97579233 1\n C C8 1 -0.36426893 0.44482237 0.43382927 1\n C C9 1 0.53836642 0.60788765 0.63558034 1\n C C10 1 0.69090358 -0.03354266 0.32779465 1\n C C11 1 0.04594935 0.98020678 0.61869783 1\n C C12 1 0.11275345 0.32215415 0.48242903 1\n C C13 1 0.33340087 -0.04958879 0.04417373 1\n C C14 1 0.78495959 0.96056720 0.14092160 1\n C C15 1 0.52241731 0.86290664 0.66771265 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51800000\n_cell_length_b 3.93683000\n_cell_length_c 5.04937000\n_cell_angle_alpha 88.31044000\n_cell_angle_beta 69.18458000\n_cell_angle_gamma 80.24545000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.08499424\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18477251 0.28061089 0.17430439 1\n C C1 1 0.52928368 0.38032472 0.35892699 1\n C C2 1 0.74766531 0.70775618 0.88609368 1\n C C3 1 0.42513719 0.19504009 0.64314165 1\n C C4 1 0.39963034 0.91120217 0.14551846 1\n C C5 1 0.96239643 0.95463581 0.64806292 1\n C C6 1 0.30631111 0.75049275 0.38735088 1\n C C7 1 0.28685304 0.46699299 0.89085943 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63087000\n_cell_length_b 3.27118000\n_cell_length_c 3.27184000\n_cell_angle_alpha 80.83931000\n_cell_angle_beta 104.48237000\n_cell_angle_gamma 104.48833000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.23496195\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88183306 0.37532632 0.77308161 1\n C C1 1 0.50063191 0.74553597 0.18832571 1\n C C2 1 0.26335022 -0.04026141 0.40083108 1\n C C3 1 0.88191957 0.69272758 0.45658585 1\n C C4 1 0.50077661 0.10667898 0.82764695 1\n C C5 1 0.26336565 0.32053155 1.03898380 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45191000\n_cell_length_b 6.12974000\n_cell_length_c 4.54752000\n_cell_angle_alpha 40.63676000\n_cell_angle_beta 105.68866000\n_cell_angle_gamma 101.57899000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.85255432\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74105426 0.43434289 0.82182179 1\n C C1 1 0.05287210 0.11701757 0.76620452 1\n C C2 1 0.21254407 0.24584592 -0.04664006 1\n C C3 1 0.32792703 0.92442862 0.50577741 1\n C C4 1 0.48415030 0.05372145 0.69239591 1\n C C5 1 0.79928094 0.73589365 0.63703762 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.23422000\n_cell_length_b 2.46995000\n_cell_length_c 5.18205000\n_cell_angle_alpha 90.01312000\n_cell_angle_beta 90.85921000\n_cell_angle_gamma 67.56308000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.25743944\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57488316 0.20161300 0.92371066 1\n C C1 1 0.57555472 0.70119425 0.77101982 1\n C C2 1 0.21881961 0.37990693 0.14173558 1\n C C3 1 0.94192306 1.01876773 0.14273031 1\n C C4 1 0.58562613 0.69652615 0.51412822 1\n C C5 1 0.58608802 0.19632393 0.36150170 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48200000\n_cell_length_b 3.79454000\n_cell_length_c 6.72804000\n_cell_angle_alpha 61.69739000\n_cell_angle_beta 100.68312000\n_cell_angle_gamma 90.05630000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.54580354\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20624915 0.07759829 0.67406874 1\n C C1 1 0.44261038 0.94759243 0.14402225 1\n C C2 1 0.77492539 0.93491826 0.81037931 1\n C C3 1 0.52991962 0.50350328 0.31895354 1\n C C4 1 0.86601925 0.07400294 0.99156077 1\n C C5 1 0.43938879 0.36483832 0.13761304 1\n C C6 1 0.86289090 0.49093015 0.98523440 1\n C C7 1 1.09793122 0.36101304 0.45495125 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47264000\n_cell_length_b 4.94704000\n_cell_length_c 4.80257000\n_cell_angle_alpha 75.08068000\n_cell_angle_beta 59.04490000\n_cell_angle_gamma 59.97674000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61930219\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69306477 0.63788171 -0.02432142 1\n C C1 1 0.52631494 0.30464626 0.47566203 1\n C C2 1 1.15212469 0.30467423 0.84968394 1\n C C3 1 0.31887452 0.13790968 0.34970049 1\n C C4 1 0.69306477 0.13788171 0.97567858 1\n C C5 1 0.31887452 0.63790968 0.34970049 1\n C C6 1 0.15212469 0.80467423 -0.15031606 1\n C C7 1 -0.47368506 0.80464626 0.47566203 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42605000\n_cell_length_b 4.15637000\n_cell_length_c 6.21925000\n_cell_angle_alpha 109.93519000\n_cell_angle_beta 101.21532000\n_cell_angle_gamma 90.04094000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.67558300\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13057019 0.06714939 0.44755838 1\n C C1 1 0.46619346 0.28341494 0.12358659 1\n C C2 1 0.15068450 0.43877738 0.48956812 1\n C C3 1 0.59274060 0.52319481 0.37159698 1\n C C4 1 0.61618534 0.89613847 0.41592901 1\n C C5 1 0.91805895 0.13775675 0.02548444 1\n C C6 1 0.82353603 0.82321023 0.83519384 1\n C C7 1 0.27617963 0.67726692 0.73741873 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47421000\n_cell_length_b 4.80460000\n_cell_length_c 4.28182000\n_cell_angle_alpha 89.99433000\n_cell_angle_beta 90.00548000\n_cell_angle_gamma 121.04496000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60967436\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22527949 0.54294738 0.43016095 1\n C C1 1 0.22572563 0.04293856 0.59676925 1\n C C2 1 0.35258878 0.66909819 1.09675361 1\n C C3 1 0.72576633 0.04312641 0.09675748 1\n C C4 1 0.85257012 0.16892920 0.43009558 1\n C C5 1 0.35258987 0.16910494 -0.06991600 1\n C C6 1 0.72561780 0.54310189 0.93014925 1\n C C7 1 0.85219367 0.66891833 0.59676939 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48013000\n_cell_length_b 2.48043000\n_cell_length_c 8.54143000\n_cell_angle_alpha 98.34246000\n_cell_angle_beta 98.33753000\n_cell_angle_gamma 120.02606000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.53553970\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66390848 0.72435732 0.28483732 1\n C C1 1 1.05971084 0.45369092 0.34739316 1\n C C2 1 0.64136794 0.36917006 0.59599531 1\n C C3 1 0.74596108 0.13978112 1.03373093 1\n C C4 1 0.47523470 0.53602851 0.09638170 1\n C C5 1 0.83135401 0.55798973 0.78527974 1\n C C6 1 0.24545901 0.63982168 0.53343883 1\n C C7 1 0.56063055 0.95418895 0.84793951 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41045000\n_cell_length_b 5.76694000\n_cell_length_c 6.97845000\n_cell_angle_alpha 90.25225000\n_cell_angle_beta 99.80664000\n_cell_angle_gamma 90.77288000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 95.57852392\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60256285 0.29060134 0.56492222 1\n C C1 1 0.85887814 0.00050173 0.08922258 1\n C C2 1 0.89741209 0.39592603 0.16926950 1\n C C3 1 -0.04439842 0.59878219 0.29263909 1\n C C4 1 0.55244146 0.89332648 0.48309371 1\n C C5 1 0.14796571 0.34545861 0.65517160 1\n C C6 1 0.51442524 0.12857950 0.39311622 1\n C C7 1 -0.05079092 0.16114477 0.26143737 1\n C C8 1 0.30855511 0.95079520 -0.00358528 1\n C C9 1 0.79665622 0.41588126 -0.04262994 1\n C C10 1 0.20561336 -0.11373174 0.79653660 1\n C C11 1 0.24632192 0.41136386 0.85487578 1\n C C12 1 0.65363334 -0.12036145 0.69478852 1\n C C13 1 0.49191160 0.69102134 0.35874313 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48074000\n_cell_length_b 2.48026000\n_cell_length_c 8.29947000\n_cell_angle_alpha 98.59966000\n_cell_angle_beta 89.98409000\n_cell_angle_gamma 120.02753000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.54873210\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09902471 0.53447298 0.16728792 1\n C C1 1 0.74444759 0.82560502 0.10503436 1\n C C2 1 0.26621657 -0.13022166 0.67042494 1\n C C3 1 0.16133245 0.66004088 0.35634190 1\n C C4 1 0.91174914 0.16105201 0.60811976 1\n C C5 1 0.84914538 0.03575306 0.41905194 1\n C C6 1 0.32783037 0.99367407 0.85684182 1\n C C7 1 0.68220579 0.70210155 0.91862896 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32439000\n_cell_length_b 5.44325000\n_cell_length_c 3.32340000\n_cell_angle_alpha 127.20342000\n_cell_angle_beta 96.55014000\n_cell_angle_gamma 86.35521000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.58619343\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06697052 0.17088513 0.67801559 1\n C C1 1 0.16785086 0.68786323 0.79913546 1\n C C2 1 0.08861919 0.52110529 0.00634912 1\n C C3 1 0.33843359 1.00417125 0.23635762 1\n C C4 1 0.69323053 0.00416213 0.59178766 1\n C C5 1 0.44020608 0.52129532 0.35790256 1\n C C6 1 0.81409437 0.68805125 0.44474054 1\n C C7 1 0.41767517 0.17126401 1.02959514 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51149000\n_cell_length_b 4.18984000\n_cell_length_c 4.11243000\n_cell_angle_alpha 119.40225000\n_cell_angle_beta 89.98754000\n_cell_angle_gamma 107.60860000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.35598372\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72402739 0.25622495 0.75147918 1\n C C1 1 0.72389375 0.25600498 0.38223822 1\n C C2 1 -0.08339046 0.64426259 0.09570931 1\n C C3 1 -0.08329329 0.64428834 0.42622365 1\n C C4 1 0.11045485 0.03257033 0.77074395 1\n C C5 1 0.11058895 0.03225892 0.13931558 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47548000\n_cell_length_b 4.29227000\n_cell_length_c 4.80813000\n_cell_angle_alpha 63.57443000\n_cell_angle_beta 104.75897000\n_cell_angle_gamma 89.64021000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.81653460\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92307063 0.84027351 0.14551882 1\n C C1 1 0.61034071 0.15296889 0.51969936 1\n C C2 1 0.35929377 0.07000567 0.01974958 1\n C C3 1 0.17196918 0.25693222 0.64554064 1\n C C4 1 0.42340877 0.34024181 0.14553662 1\n C C5 1 0.67195543 0.75689807 0.64556456 1\n C C6 1 0.10985131 0.65289258 0.51976826 1\n C C7 1 -0.14075881 0.57005224 1.01969356 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47385000\n_cell_length_b 4.30619000\n_cell_length_c 4.96301000\n_cell_angle_alpha 90.01722000\n_cell_angle_beta 119.89959000\n_cell_angle_gamma 90.00910000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.83326706\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81068938 0.46106676 0.72135144 1\n C C1 1 0.81110837 0.96115116 0.22147214 1\n C C2 1 0.44992307 0.82150817 0.36034312 1\n C C3 1 0.44964254 0.46116996 0.36024118 1\n C C4 1 0.44951367 0.32142780 0.86022765 1\n C C5 1 0.81113835 0.82141625 0.72146244 1\n C C6 1 0.45003804 -0.03891118 0.86035591 1\n C C7 1 0.81074237 0.32149728 0.22134573 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40704000\n_cell_length_b 3.92000000\n_cell_length_c 3.99747000\n_cell_angle_alpha 75.01362000\n_cell_angle_beta 99.10093000\n_cell_angle_gamma 121.05194000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.16251489\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08952606 0.52016708 0.58905284 1\n C C1 1 0.68501532 0.30628545 0.39776272 1\n C C2 1 0.03228429 -0.04074733 0.08830033 1\n C C3 1 0.24659201 0.36303373 0.89737159 1\n C C4 1 0.30360875 0.92391746 0.39812535 1\n C C5 1 0.65107347 0.57677302 0.08875457 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.53131000\n_cell_length_b 2.45204000\n_cell_length_c 8.24454000\n_cell_angle_alpha 89.93201000\n_cell_angle_beta 83.75147000\n_cell_angle_gamma 133.58380000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.11561421\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38793325 0.90196549 0.28102597 1\n C C1 1 1.25871949 0.27419851 0.54051671 1\n C C2 1 0.12071523 0.63697279 0.80894066 1\n C C3 1 0.30134285 -0.18290654 0.45408079 1\n C C4 1 0.43099463 0.44513831 0.19389647 1\n C C5 1 0.51686112 0.53180540 0.02420430 1\n C C6 1 0.56692481 0.08180731 0.92624971 1\n C C7 1 1.17040233 0.18715404 0.71065369 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47395000\n_cell_length_b 4.28217000\n_cell_length_c 4.80319000\n_cell_angle_alpha 90.01394000\n_cell_angle_beta 120.99720000\n_cell_angle_gamma 89.99273000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61771626\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84742645 0.14375491 0.73419151 1\n C C1 1 0.47283117 0.14377024 0.35995550 1\n C C2 1 -0.02716883 0.64377024 0.35995550 1\n C C3 1 -0.02709282 0.47710780 0.85995211 1\n C C4 1 0.47290718 0.97710780 0.85995211 1\n C C5 1 -0.15249753 -0.02290753 0.23418811 1\n C C6 1 0.34750247 0.47709247 0.23418811 1\n C C7 1 0.34742645 0.64375491 0.73419151 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48372000\n_cell_length_b 2.49155000\n_cell_length_c 8.31117000\n_cell_angle_alpha 63.01678000\n_cell_angle_beta 89.99559000\n_cell_angle_gamma 89.98706000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.83318765\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61161329 0.19178721 0.47500314 1\n C C1 1 1.11157645 0.02961839 0.58245216 1\n C C2 1 0.11143394 0.30345548 0.06066819 1\n C C3 1 0.61111865 0.16275999 0.82308512 1\n C C4 1 0.61172133 0.45965020 0.29067831 1\n C C5 1 0.11169650 0.61834427 0.18347536 1\n C C6 1 0.11119086 0.34306823 0.70537388 1\n C C7 1 0.61133448 0.48141954 0.94253304 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47575000\n_cell_length_b 3.72327000\n_cell_length_c 4.24858000\n_cell_angle_alpha 64.03841000\n_cell_angle_beta 89.99939000\n_cell_angle_gamma 90.00130000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.21090478\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.19793561 0.47829225 0.11130759 1\n C C1 1 0.80208839 0.91325363 0.83332378 1\n C C2 1 0.30212624 0.86689456 0.33415284 1\n C C3 1 0.30210115 0.02425369 0.61190765 1\n C C4 1 0.80216185 0.07038998 0.11101474 1\n C C5 1 1.30211858 0.45907109 0.33410199 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48802000\n_cell_length_b 4.30347000\n_cell_length_c 4.30464000\n_cell_angle_alpha 80.41601000\n_cell_angle_beta 73.19635000\n_cell_angle_gamma 89.99705000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.44998154\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52767647 0.34209110 0.42740385 1\n C C1 1 1.02767647 0.84209110 0.42740385 1\n C C2 1 0.83995433 0.77920940 0.80245650 1\n C C3 1 0.33995433 0.27920940 0.80245650 1\n C C4 1 0.27767647 0.59209110 0.92740385 1\n C C5 1 0.77767647 0.09209110 0.92740385 1\n C C6 1 0.58995433 0.02920940 0.30245650 1\n C C7 1 0.08995433 0.52920940 0.30245650 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54633000\n_cell_length_b 2.45921000\n_cell_length_c 10.30408000\n_cell_angle_alpha 83.15448000\n_cell_angle_beta 74.98357000\n_cell_angle_gamma 89.99376000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.84421266\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35186727 0.73718852 0.75085486 1\n C C1 1 -0.10447167 1.02111829 0.18682244 1\n C C2 1 0.26829290 0.19733968 0.83212401 1\n C C3 1 0.66861615 1.15024867 0.92516798 1\n C C4 1 0.69463812 0.41618408 0.39739720 1\n C C5 1 0.55624035 0.34399954 0.53979787 1\n C C6 1 0.57676870 0.60770324 0.01258629 1\n C C7 1 0.76302201 0.95215074 0.32637392 1\n C C8 1 -0.02264650 0.56051737 0.10561888 1\n C C9 1 0.48723277 0.80711407 0.61113956 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49117000\n_cell_length_b 3.59417000\n_cell_length_c 4.35471000\n_cell_angle_alpha 84.29531000\n_cell_angle_beta 73.38717000\n_cell_angle_gamma 69.65049000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.03130706\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58367504 0.48006089 0.05714881 1\n C C1 1 0.39559316 0.48006089 0.43331257 1\n C C2 1 0.21387315 0.22082536 0.05736351 1\n C C3 1 0.50224195 0.85100060 0.85136990 1\n C C4 1 1.02600597 0.22082536 0.43309788 1\n C C5 1 0.10838115 0.85100060 0.63909149 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45352000\n_cell_length_b 4.10279000\n_cell_length_c 5.81231000\n_cell_angle_alpha 51.24305000\n_cell_angle_beta 77.94935000\n_cell_angle_gamma 89.96495000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.96593486\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44873137 0.70040424 0.42383201 1\n C C1 1 0.48247752 0.44972319 0.35531755 1\n C C2 1 0.01386968 0.31997656 0.29425464 1\n C C3 1 0.91852995 0.83065664 0.48447959 1\n C C4 1 0.18244535 0.52902648 0.96183338 1\n C C5 1 0.75388053 0.62195720 0.81678914 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47403000\n_cell_length_b 4.96615000\n_cell_length_c 4.96880000\n_cell_angle_alpha 75.58703000\n_cell_angle_beta 60.10673000\n_cell_angle_gamma 60.09007000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.87721428\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06676626 0.06563989 0.23144093 1\n C C1 1 0.56704306 0.56560097 0.73135258 1\n C C2 1 0.20551614 -0.07319079 0.73146740 1\n C C3 1 0.70567130 0.42684898 0.23136655 1\n C C4 1 0.42751935 1.06558226 0.87072436 1\n C C5 1 1.06642439 0.42679135 0.87064998 1\n C C6 1 0.56614759 0.92683027 0.37073833 1\n C C7 1 -0.07232549 0.56562203 0.37062351 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37558000\n_cell_length_b 4.07915000\n_cell_length_c 3.79116000\n_cell_angle_alpha 71.42743000\n_cell_angle_beta 72.96632000\n_cell_angle_gamma 100.24338000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.14636047\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52948533 0.57740478 0.41923773 1\n C C1 1 0.67722772 0.73712658 0.68680447 1\n C C2 1 0.19217841 0.21541713 0.65908849 1\n C C3 1 0.04481620 0.05544626 0.39114065 1\n C C4 1 0.87275130 0.21306882 1.05478372 1\n C C5 1 0.41527158 0.92546510 0.20174472 1\n C C6 1 0.84910492 0.57980996 1.02365466 1\n C C7 1 0.30684744 0.86751267 0.87624466 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48462000\n_cell_length_b 4.08783000\n_cell_length_c 4.67662000\n_cell_angle_alpha 96.70333000\n_cell_angle_beta 74.55376000\n_cell_angle_gamma 90.00205000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44650626\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30543155 0.31012998 0.20018210 1\n C C1 1 0.82063041 0.78372986 0.17158537 1\n C C2 1 -0.35115193 0.71616959 0.51312358 1\n C C3 1 1.14781457 0.48965616 0.51499809 1\n C C4 1 0.87794450 0.42812105 0.05613236 1\n C C5 1 0.53648514 1.02219067 0.74365480 1\n C C6 1 1.03740904 0.24740794 0.74127401 1\n C C7 1 0.36464052 0.95426305 0.08544249 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39997000\n_cell_length_b 4.50202000\n_cell_length_c 4.17358000\n_cell_angle_alpha 86.27943000\n_cell_angle_beta 104.48042000\n_cell_angle_gamma 66.72634000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.85072586\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14197945 0.72640609 0.44027156 1\n C C1 1 0.99928100 0.47073033 0.57582369 1\n C C2 1 0.77165058 0.94135179 0.13681760 1\n C C3 1 0.23585174 0.90348190 0.70831541 1\n C C4 1 0.41875597 0.23388832 0.22513333 1\n C C5 1 0.37826832 0.15938984 0.57306968 1\n C C6 1 -0.16486867 0.10195652 -0.16199753 1\n C C7 1 -0.04071644 0.39577879 -0.07605103 1\n C C8 1 0.54258044 0.52789809 0.31078074 1\n C C9 1 0.60590940 0.68844833 0.01190965 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43955000\n_cell_length_b 6.27149000\n_cell_length_c 6.02918000\n_cell_angle_alpha 119.08156000\n_cell_angle_beta 78.26312000\n_cell_angle_gamma 101.29867000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.41994861\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11381648 0.82251419 0.56688091 1\n C C1 1 0.79458905 0.30398073 0.68041250 1\n C C2 1 0.03286966 -0.04367996 0.85872392 1\n C C3 1 -0.27254858 0.66494964 0.17172982 1\n C C4 1 0.27483554 0.38679621 0.80403574 1\n C C5 1 0.82696576 0.10337539 0.41499379 1\n C C6 1 1.02709487 0.54528523 0.46765429 1\n C C7 1 0.41350798 0.14447897 0.28393646 1\n C C8 1 0.50735854 0.42195485 0.38152983 1\n C C9 1 0.69900341 0.86492491 0.43722976 1\n C C10 1 0.24830732 0.58287090 1.04767804 1\n C C11 1 0.49239666 0.00914164 -0.00872334 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48767000\n_cell_length_b 4.30459000\n_cell_length_c 4.30393000\n_cell_angle_alpha 60.01466000\n_cell_angle_beta 106.77898000\n_cell_angle_gamma 125.28398000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.58621072\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39871655 0.62303886 0.69780381 1\n C C1 1 0.39871655 0.28970552 0.36447047 1\n C C2 1 0.14868722 0.53963361 0.36455563 1\n C C3 1 1.14868722 0.87296694 0.69788896 1\n C C4 1 1.39871655 0.95637219 0.03113714 1\n C C5 1 0.14868722 0.20630028 0.03122229 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52353000\n_cell_length_b 4.45432000\n_cell_length_c 4.81147000\n_cell_angle_alpha 74.24776000\n_cell_angle_beta 63.12399000\n_cell_angle_gamma 82.48327000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.42828058\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76563275 0.45170972 0.28487007 1\n C C1 1 0.43257772 0.91251923 0.90557411 1\n C C2 1 -0.37981278 0.48336864 0.61801652 1\n C C3 1 0.77091926 0.79196617 0.10579997 1\n C C4 1 0.36668169 0.28428707 0.20857875 1\n C C5 1 0.51312958 0.25351556 0.87505649 1\n C C6 1 0.36088724 0.94426185 0.38765915 1\n C C7 1 0.69949414 0.82381436 0.58769753 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45189000\n_cell_length_b 4.67603000\n_cell_length_c 6.16481000\n_cell_angle_alpha 47.12825000\n_cell_angle_beta 78.52364000\n_cell_angle_gamma 58.32380000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.63971048\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06522493 0.11508087 0.94803654 1\n C C1 1 0.43616202 0.06118346 0.31927501 1\n C C2 1 0.56264156 0.18548588 0.81208190 1\n C C3 1 0.53919735 0.36726267 0.49906752 1\n C C4 1 0.19856989 0.23670502 0.44178487 1\n C C5 1 0.09477725 0.93108949 0.26167226 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43741000\n_cell_length_b 4.85939000\n_cell_length_c 10.26268000\n_cell_angle_alpha 110.60907000\n_cell_angle_beta 83.19452000\n_cell_angle_gamma 120.20328000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 98.07189016\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46164091 1.23462572 0.96743854 1\n C C1 1 0.59595586 0.22986683 0.68360927 1\n C C2 1 1.51658984 0.36904669 0.13265642 1\n C C3 1 0.09267459 0.33496486 0.90559951 1\n C C4 1 0.38395373 0.43652776 0.52225317 1\n C C5 1 0.10902700 0.86070497 0.92621691 1\n C C6 1 0.13486919 0.59976389 0.34958383 1\n C C7 1 0.05046013 0.21716047 0.74980181 1\n C C8 1 0.77481994 0.35168436 0.57041861 1\n C C9 1 1.57184774 0.56870483 0.41188173 1\n C C10 1 0.18821027 0.57390813 0.19929565 1\n C C11 1 0.44806533 0.69527255 0.91572769 1\n C C12 1 0.18749828 0.05885280 0.17376847 1\n C C13 1 0.53652990 -0.08467725 0.18845689 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48196000\n_cell_length_b 3.74579000\n_cell_length_c 3.84310000\n_cell_angle_alpha 89.98506000\n_cell_angle_beta 89.98106000\n_cell_angle_gamma 89.99598000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.72891678\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33654645 0.36523247 0.92657301 1\n C C1 1 0.33678899 0.09775070 0.63156950 1\n C C2 1 0.33728190 0.36538640 0.33671833 1\n C C3 1 -0.16323122 0.86890501 0.63143934 1\n C C4 1 0.83727850 0.60160907 0.33667460 1\n C C5 1 0.83655429 0.60140265 0.92647862 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.74358000\n_cell_length_b 2.48306000\n_cell_length_c 3.84357000\n_cell_angle_alpha 90.00096000\n_cell_angle_beta 89.95969000\n_cell_angle_gamma 89.98711000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.72802492\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07188801 0.81576536 0.55599236 1\n C C1 1 0.07219711 -0.18431637 -0.03348383 1\n C C2 1 0.80427454 -0.18424439 0.26147535 1\n C C3 1 0.57565913 0.31577066 0.26123376 1\n C C4 1 0.30767566 0.31572896 0.55572713 1\n C C5 1 0.30800175 0.31568818 0.96628583 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48113000\n_cell_length_b 3.68798000\n_cell_length_c 4.21809000\n_cell_angle_alpha 104.91723000\n_cell_angle_beta 90.02892000\n_cell_angle_gamma 70.36977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97152752\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12135560 0.14403196 0.55064277 1\n C C1 1 0.08685151 0.21240438 -0.08452336 1\n C C2 1 0.86509135 0.65846657 0.12168663 1\n C C3 1 0.54243270 0.30157038 0.42021021 1\n C C4 1 0.66453213 0.05663939 0.04695708 1\n C C5 1 0.34485790 0.69843602 0.34399007 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44862000\n_cell_length_b 5.56402000\n_cell_length_c 5.71672000\n_cell_angle_alpha 56.03373000\n_cell_angle_beta 77.61732000\n_cell_angle_gamma 77.28149000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.60701114\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17724025 0.54809804 0.23336275 1\n C C1 1 0.30113695 -0.07809862 0.60168020 1\n C C2 1 0.73107237 -0.01390524 0.67693451 1\n C C3 1 1.02431299 0.36149005 0.72628253 1\n C C4 1 0.58397114 0.17234826 0.79414440 1\n C C5 1 0.89578904 0.29833252 0.04085217 1\n C C6 1 0.45569159 0.82488205 0.39821188 1\n C C7 1 0.02713122 0.64602042 0.43623224 1\n C C8 1 0.74621803 0.48442794 0.15782109 1\n C C9 1 0.45710432 0.10913509 0.10863063 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51082000\n_cell_length_b 5.01372000\n_cell_length_c 5.67222000\n_cell_angle_alpha 77.42563000\n_cell_angle_beta 90.01125000\n_cell_angle_gamma 90.00191000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.69231178\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70018670 0.12102609 1.05664331 1\n C C1 1 0.20029095 0.94104899 0.11958731 1\n C C2 1 0.70048403 0.70970392 0.84996233 1\n C C3 1 0.20066335 0.87457724 0.38873034 1\n C C4 1 0.70103280 0.00440874 0.70305933 1\n C C5 1 0.20049912 0.57456059 0.49612049 1\n C C6 1 0.70060315 0.51159179 0.66210921 1\n C C7 1 0.20043247 0.44836212 0.25775954 1\n C C8 1 0.70043902 0.27921776 0.25635349 1\n C C9 1 -0.29911053 0.22265620 0.79830020 1\n C C10 1 0.70077703 0.01843113 0.45047892 1\n C C11 1 1.20038601 0.68671535 1.01813092 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46504000\n_cell_length_b 3.37486000\n_cell_length_c 7.14407000\n_cell_angle_alpha 126.80202000\n_cell_angle_beta 120.86329000\n_cell_angle_gamma 68.96745000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.73432677\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74764040 0.26957910 0.33085875 1\n C C1 1 0.21125103 0.96566887 0.20581547 1\n C C2 1 0.98408725 0.61829659 0.60543513 1\n C C3 1 0.36007346 0.44337836 0.13027948 1\n C C4 1 0.58693333 0.78893159 0.73036517 1\n C C5 1 0.82307213 1.13946039 0.00502490 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43012000\n_cell_length_b 4.89523000\n_cell_length_c 9.96294000\n_cell_angle_alpha 77.79602000\n_cell_angle_beta 85.46847000\n_cell_angle_gamma 62.06239000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 102.31289209\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04868807 0.22838825 0.61419278 1\n C C1 1 0.28495027 -0.05668890 0.70950711 1\n C C2 1 0.71564433 0.22832964 0.27976834 1\n C C3 1 0.42890017 0.37222233 0.56683632 1\n C C4 1 0.76280269 0.37129987 0.89941378 1\n C C5 1 0.85931740 0.65596592 0.13608894 1\n C C6 1 0.57085335 0.80048551 0.42338816 1\n C C7 1 0.19160010 0.65623319 0.47061822 1\n C C8 1 0.90400983 0.79989308 0.75715652 1\n C C9 1 0.14319033 0.51419286 0.85169781 1\n C C10 1 -0.52129906 0.51235882 1.18354412 1\n C C11 1 0.62196799 -0.05839821 1.04119263 1\n C C12 1 1.00212861 0.08546450 0.99372548 1\n C C13 1 0.33545432 0.08473415 0.32719800 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48445000\n_cell_length_b 4.08788000\n_cell_length_c 5.84249000\n_cell_angle_alpha 127.33693000\n_cell_angle_beta 102.29366000\n_cell_angle_gamma 90.00449000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45394460\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55803339 0.98395134 0.11185551 1\n C C1 1 0.28921415 0.38079324 0.57079374 1\n C C2 1 0.94725188 0.28696953 0.88290505 1\n C C3 1 0.44841560 0.51485718 0.88537385 1\n C C4 1 1.23117910 0.62127359 0.45567136 1\n C C5 1 0.77531850 0.87752106 0.54155336 1\n C C6 1 0.71627632 0.11793486 0.42642220 1\n C C7 1 0.05933386 0.21180629 0.11427651 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45499000\n_cell_length_b 3.40633000\n_cell_length_c 5.79343000\n_cell_angle_alpha 74.77427000\n_cell_angle_beta 102.21689000\n_cell_angle_gamma 68.82696000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.98474203\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37244334 -0.00416383 0.19516280 1\n C C1 1 -0.00535555 0.87477755 0.32040624 1\n C C2 1 0.59891398 0.13681333 0.78906440 1\n C C3 1 0.24421947 0.65242839 0.59711171 1\n C C4 1 0.76900411 0.73309900 0.72673136 1\n C C5 1 1.12263125 0.21789126 0.91839610 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.73504000\n_cell_length_b 4.66432000\n_cell_length_c 4.66885000\n_cell_angle_alpha 103.66809000\n_cell_angle_beta 83.85313000\n_cell_angle_gamma 94.96867000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.42555780\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63197498 0.74843708 0.13949785 1\n C C1 1 0.63257210 0.27612366 0.85464686 1\n C C2 1 0.63368508 0.56023374 0.32639984 1\n C C3 1 0.63135925 0.03804834 0.30186072 1\n C C4 1 0.63436295 0.72277616 0.61648416 1\n C C5 1 0.63399046 0.27049399 0.16431045 1\n C C6 1 0.63279151 0.03189232 0.61061830 1\n C C7 1 0.63162528 0.58661779 0.84942601 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38941000\n_cell_length_b 4.34823000\n_cell_length_c 5.47732000\n_cell_angle_alpha 91.75463000\n_cell_angle_beta 78.62010000\n_cell_angle_gamma 60.70993000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.25250654\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18082262 0.86272780 0.59686834 1\n C C1 1 0.76443337 -0.01108020 0.81654123 1\n C C2 1 0.00193592 1.03956698 1.01505577 1\n C C3 1 0.35421898 0.32227723 0.79710215 1\n C C4 1 0.56200428 0.54985957 0.71170095 1\n C C5 1 0.63784542 0.69203908 0.16208792 1\n C C6 1 0.78745419 -0.05001438 0.24110961 1\n C C7 1 1.30524301 0.31256925 0.33005912 1\n C C8 1 0.05824408 0.35054766 0.08495685 1\n C C9 1 0.51703316 0.78809394 0.92187757 1\n C C10 1 0.22366748 0.70479784 0.34689288 1\n C C11 1 1.09878599 0.26509414 0.59286151 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36188000\n_cell_length_b 2.45194000\n_cell_length_c 7.50117000\n_cell_angle_alpha 99.39635000\n_cell_angle_beta 85.32104000\n_cell_angle_gamma 111.35224000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.79968573\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68962838 0.25480289 0.87522154 1\n C C1 1 0.64959138 0.33353207 0.07071717 1\n C C2 1 0.57384970 -0.06151839 0.35514984 1\n C C3 1 0.86694406 0.79766086 0.78508402 1\n C C4 1 0.62665042 0.86840339 0.16238817 1\n C C5 1 0.49340475 0.54001940 0.64313313 1\n C C6 1 0.54301282 0.46830672 0.44725034 1\n C C7 1 0.31520679 -0.00415145 0.73364489 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45191000\n_cell_length_b 5.23969000\n_cell_length_c 6.68782000\n_cell_angle_alpha 93.65334000\n_cell_angle_beta 90.00481000\n_cell_angle_gamma 89.98449000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.74547754\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73847671 0.28373273 0.75053919 1\n C C1 1 0.23872224 0.50245368 0.02792408 1\n C C2 1 0.23919054 0.77446109 0.98045653 1\n C C3 1 1.23872654 0.23498632 0.26866200 1\n C C4 1 -0.25990391 0.79576109 0.66433611 1\n C C5 1 1.23838329 0.23529764 0.65427793 1\n C C6 1 0.24026176 0.79386136 0.76341553 1\n C C7 1 0.73866548 0.35332856 0.96932908 1\n C C8 1 0.23898905 0.53509692 0.25682529 1\n C C9 1 0.73879454 0.90261118 0.46253807 1\n C C10 1 0.73866106 0.15648932 0.14194158 1\n C C11 1 0.73904889 0.87208053 0.09132057 1\n C C12 1 0.23844569 0.08026391 0.45729421 1\n C C13 1 0.73898633 0.70436736 0.28851005 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.86468000\n_cell_length_b 5.10895000\n_cell_length_c 5.98961000\n_cell_angle_alpha 129.21434000\n_cell_angle_beta 127.13505000\n_cell_angle_gamma 43.56545000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.03466462\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22822985 0.83662425 0.18719720 1\n C C1 1 0.01296222 0.24235520 0.37882990 1\n C C2 1 0.57560272 1.18204499 0.87865121 1\n C C3 1 -0.04272934 0.80091806 0.87832685 1\n C C4 1 1.17197846 0.39525646 0.68676432 1\n C C5 1 0.60903130 0.45564095 0.18696983 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47304000\n_cell_length_b 4.46822000\n_cell_length_c 4.24945000\n_cell_angle_alpha 111.39815000\n_cell_angle_beta 90.01231000\n_cell_angle_gamma 123.59071000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.16143038\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80959730 0.07262399 0.86880553 1\n C C1 1 0.29006154 0.05290184 0.64607817 1\n C C2 1 0.24424206 0.50760204 0.14669806 1\n C C3 1 0.40106567 0.66437609 0.86879331 1\n C C4 1 0.85525775 0.61823148 0.36816784 1\n C C5 1 0.69842597 0.46114626 0.64600019 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52172000\n_cell_length_b 6.35121000\n_cell_length_c 7.31823000\n_cell_angle_alpha 98.49406000\n_cell_angle_beta 113.33484000\n_cell_angle_gamma 98.88965000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.47079730\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54647791 0.07554417 0.24572913 1\n C C1 1 0.31128137 0.29643558 -0.04238536 1\n C C2 1 0.22284448 0.58214205 0.41485029 1\n C C3 1 0.19022048 0.54834509 0.72630930 1\n C C4 1 0.07166942 0.66249957 0.05360403 1\n C C5 1 0.44842323 0.83124767 0.25705235 1\n C C6 1 0.42854679 0.19323409 0.59449062 1\n C C7 1 0.32894291 0.94453234 0.58431324 1\n C C8 1 0.20897379 0.19714280 0.35239986 1\n C C9 1 0.97407820 0.41823648 0.06447661 1\n C C10 1 0.33601134 0.08597397 1.02520193 1\n C C11 1 0.07976013 0.79525276 0.37214942 1\n C C12 1 0.90107773 0.87137111 0.67923006 1\n C C13 1 0.29558013 0.91075867 0.89524719 1\n C C14 1 1.18373091 0.40718853 0.28485242 1\n C C15 1 0.43986485 0.69837495 0.93831369 1\n C C16 1 0.61655592 0.62042298 0.63070066 1\n C C17 1 0.09086810 0.29968069 0.71575284 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41761000\n_cell_length_b 4.81612000\n_cell_length_c 4.92625000\n_cell_angle_alpha 60.74046000\n_cell_angle_beta 71.30556000\n_cell_angle_gamma 45.18799000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.14630861\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71503065 0.03510803 0.12018475 1\n C C1 1 0.71500552 0.70655862 0.12014065 1\n C C2 1 0.15330283 0.24282216 0.26653635 1\n C C3 1 0.65333833 0.24281448 0.76657083 1\n C C4 1 0.15336585 0.91423609 0.26658539 1\n C C5 1 0.21503754 0.70655489 0.62016288 1\n C C6 1 0.21503622 0.03514343 0.62016916 1\n C C7 1 0.65335196 0.91428660 0.76658280 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45580000\n_cell_length_b 5.36198000\n_cell_length_c 7.67767000\n_cell_angle_alpha 75.28505000\n_cell_angle_beta 89.96875000\n_cell_angle_gamma 90.02490000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 97.78324605\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57806934 0.01787508 0.64466178 1\n C C1 1 0.58449204 0.48637744 0.70798223 1\n C C2 1 0.57974286 0.19954458 0.45576368 1\n C C3 1 0.57984287 0.40033947 0.90727773 1\n C C4 1 0.07767212 -0.01027386 0.73753338 1\n C C5 1 1.07741333 0.97353253 0.93682609 1\n C C6 1 0.57747959 1.08194659 0.27863052 1\n C C7 1 0.08048772 0.38093936 0.45580311 1\n C C8 1 0.07624613 0.48582948 0.14871371 1\n C C9 1 0.08470437 0.46233287 0.62595875 1\n C C10 1 0.07680753 0.62316011 0.29571242 1\n C C11 1 0.57647189 0.79883345 0.25230718 1\n C C12 1 0.57692773 0.56950552 0.03822478 1\n C C13 1 0.57710324 0.84425671 0.02876231 1\n C C14 1 0.07760121 0.20327672 0.17788332 1\n C C15 1 0.07914891 0.23425496 0.97180240 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.66361000\n_cell_length_b 3.64584000\n_cell_length_c 5.67230000\n_cell_angle_alpha 70.17291000\n_cell_angle_beta 57.84918000\n_cell_angle_gamma 87.85731000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.15845482\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71509321 0.82588489 0.74318803 1\n C C1 1 0.21305864 0.38406543 0.24217442 1\n C C2 1 0.52369295 1.03743084 0.93467037 1\n C C3 1 0.52441200 0.42297521 0.93443878 1\n C C4 1 0.02339005 -0.01881594 0.43319221 1\n C C5 1 1.21374385 0.76934755 0.24206859 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46942000\n_cell_length_b 7.84913000\n_cell_length_c 6.76464000\n_cell_angle_alpha 65.34114000\n_cell_angle_beta 108.09565000\n_cell_angle_gamma 77.01419000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.30230888\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13066717 -0.02626096 0.80597565 1\n C C1 1 0.94424962 -0.02277504 0.56552581 1\n C C2 1 0.23491351 0.29546515 0.52726972 1\n C C3 1 0.20856225 0.95281475 0.25570523 1\n C C4 1 0.31767503 0.22681663 0.90724477 1\n C C5 1 0.60057459 0.19002901 0.31233684 1\n C C6 1 0.99536844 0.31951998 0.28988262 1\n C C7 1 0.63315798 0.36071313 0.82809498 1\n C C8 1 -0.23778122 0.65848666 0.67408521 1\n C C9 1 0.55452863 0.08578739 0.16647950 1\n C C10 1 0.26770816 0.46258429 0.55682088 1\n C C11 1 0.48682130 0.88305237 0.53066145 1\n C C12 1 0.45999916 0.11032197 0.77130917 1\n C C13 1 0.23494758 0.76900778 0.21526058 1\n C C14 1 -0.41200866 0.75761308 0.07310089 1\n C C15 1 0.69355568 0.54849699 0.07237117 1\n C C16 1 0.60377371 0.59395172 0.48131964 1\n C C17 1 0.48330747 0.55803109 0.83467588 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42872000\n_cell_length_b 4.43661000\n_cell_length_c 6.84345000\n_cell_angle_alpha 96.63012000\n_cell_angle_beta 95.81889000\n_cell_angle_gamma 93.29567000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.69068089\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18338104 1.02606023 0.53937508 1\n C C1 1 0.04594147 0.49498177 0.26926900 1\n C C2 1 0.78547043 0.42917377 0.73622698 1\n C C3 1 0.44885296 0.09290835 0.07198897 1\n C C4 1 0.25172928 0.29408058 0.67084114 1\n C C5 1 -0.01907075 0.22728577 0.13795141 1\n C C6 1 0.38434722 -0.17281269 0.93771656 1\n C C7 1 0.64804778 0.89300180 0.47169518 1\n C C8 1 0.85166559 0.69441566 0.86974922 1\n C C9 1 0.57963269 0.62932197 0.33580634 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51363000\n_cell_length_b 3.63529000\n_cell_length_c 9.59473000\n_cell_angle_alpha 80.17071000\n_cell_angle_beta 102.47143000\n_cell_angle_gamma 87.97254000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 84.11090975\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06919468 0.74667058 0.09267890 1\n C C1 1 0.04732884 0.43770853 0.54455240 1\n C C2 1 0.84485511 0.34000592 0.85563011 1\n C C3 1 0.86711414 0.63201924 0.40244557 1\n C C4 1 0.04346571 0.06215736 0.54566130 1\n C C5 1 0.75374197 0.37129630 0.29484836 1\n C C6 1 0.73319428 0.61357963 0.73626695 1\n C C7 1 0.40255807 0.18993809 0.91668928 1\n C C8 1 0.16022341 0.69957455 0.65155425 1\n C C9 1 0.18001231 0.46518239 0.21009379 1\n C C10 1 -0.13007983 0.00858760 0.40065967 1\n C C11 1 0.51129180 0.89932451 1.03178192 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49050000\n_cell_length_b 4.35200000\n_cell_length_c 3.59316000\n_cell_angle_alpha 84.29580000\n_cell_angle_beta 69.68574000\n_cell_angle_gamma 73.37299000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99564759\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62477302 0.44843766 0.17219222 1\n C C1 1 0.73038738 0.86667568 0.54181562 1\n C C2 1 0.54257867 0.24258129 0.54200378 1\n C C3 1 -0.08769188 0.24257243 0.80183190 1\n C C4 1 1.01941172 0.66066969 0.17199944 1\n C C5 1 0.10125748 0.86637835 0.80143443 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46300000\n_cell_length_b 3.80224000\n_cell_length_c 7.39822000\n_cell_angle_alpha 82.89986000\n_cell_angle_beta 99.61016000\n_cell_angle_gamma 108.90772000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.44577850\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64265121 0.31412101 -0.00574529 1\n C C1 1 0.65944505 0.98279144 0.36170384 1\n C C2 1 0.47016460 0.56322962 0.40249599 1\n C C3 1 0.14606180 0.59815611 0.71743267 1\n C C4 1 0.81410239 0.09182025 0.56052354 1\n C C5 1 0.99160156 0.48858454 0.51909877 1\n C C6 1 0.22576608 0.19140664 0.28607333 1\n C C7 1 0.58046249 0.38986734 0.79345411 1\n C C8 1 1.16745266 0.27222452 0.08522910 1\n C C9 1 0.33680165 0.01846353 0.67751514 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52366000\n_cell_length_b 4.37234000\n_cell_length_c 4.44854000\n_cell_angle_alpha 73.83953000\n_cell_angle_beta 80.85408000\n_cell_angle_gamma 85.65188000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.52171118\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68365854 0.06211380 0.78648662 1\n C C1 1 0.43184091 0.11934061 0.30035676 1\n C C2 1 0.89465474 0.21276085 0.45569288 1\n C C3 1 0.50789467 0.75186559 0.31424502 1\n C C4 1 0.93376418 0.50612422 0.84149257 1\n C C5 1 0.45559376 0.29969589 0.95053980 1\n C C6 1 -0.02892687 0.57169041 0.47571164 1\n C C7 1 0.73304547 0.77421994 -0.02911059 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.85381000\n_cell_length_b 4.55539000\n_cell_length_c 6.61290000\n_cell_angle_alpha 82.70573000\n_cell_angle_beta 111.36696000\n_cell_angle_gamma 113.37609000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.47326435\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30118730 0.23240381 0.53682116 1\n C C1 1 0.89558257 0.40345700 0.95723236 1\n C C2 1 0.90878950 0.23194733 0.14449309 1\n C C3 1 -0.01053827 0.73427489 0.72466273 1\n C C4 1 0.97669715 0.90575114 0.53728482 1\n C C5 1 0.58463832 0.90535851 0.14488693 1\n C C6 1 0.27653424 0.40386956 0.34042935 1\n C C7 1 0.61076195 0.73383777 0.34094190 1\n C C8 1 0.66482700 0.40438616 0.72383646 1\n C C9 1 0.22058365 0.73335793 0.95800238 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46540000\n_cell_length_b 3.46458000\n_cell_length_c 7.09218000\n_cell_angle_alpha 60.72476000\n_cell_angle_beta 89.90129000\n_cell_angle_gamma 90.02139000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.27435668\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87408437 0.82696733 0.52239734 1\n C C1 1 0.06319781 0.82736006 0.02258525 1\n C C2 1 0.37423144 0.14020738 1.02242268 1\n C C3 1 0.21783114 0.85711003 0.64842356 1\n C C4 1 0.71823200 0.85805684 0.14840818 1\n C C5 1 0.06234450 0.07518973 0.77445124 1\n C C6 1 0.21850439 0.35775539 0.14862007 1\n C C7 1 0.37355401 0.38763486 0.77420430 1\n C C8 1 0.56312159 0.13943803 0.52255860 1\n C C9 1 0.56272757 0.38790354 0.27434113 1\n C C10 1 -0.12636039 0.07594100 0.27428679 1\n C C11 1 0.71807988 0.35679080 0.64862634 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48009000\n_cell_length_b 3.68919000\n_cell_length_c 4.89296000\n_cell_angle_alpha 92.78875000\n_cell_angle_beta 59.56495000\n_cell_angle_gamma 70.38614000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01671269\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41181669 0.08045212 0.14338338 1\n C C1 1 0.36598372 0.16554084 0.64703082 1\n C C2 1 0.53539440 0.68255084 0.21859623 1\n C C3 1 0.79458595 0.72031469 0.44081380 1\n C C4 1 0.91905539 0.32197079 0.51591428 1\n C C5 1 -0.03601466 0.23760732 1.01232859 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43249000\n_cell_length_b 4.20429000\n_cell_length_c 8.53970000\n_cell_angle_alpha 83.60255000\n_cell_angle_beta 93.88012000\n_cell_angle_gamma 90.05172000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.58987785\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86823966 0.69044343 0.62662085 1\n C C1 1 1.20160651 0.59900200 0.29389988 1\n C C2 1 0.03051997 0.27013940 0.95278304 1\n C C3 1 0.53074594 0.43746654 0.95258421 1\n C C4 1 -0.13178648 0.02311892 0.62661095 1\n C C5 1 0.03073758 0.93746380 0.95258705 1\n C C6 1 0.36820135 0.52311519 0.62660568 1\n C C7 1 0.20201168 0.93196266 0.29332108 1\n C C8 1 0.53053166 0.77015369 0.95278128 1\n C C9 1 0.70202071 0.43197313 0.29330081 1\n C C10 1 0.36822981 0.19043029 0.62660920 1\n C C11 1 0.70160801 0.09901004 0.29388728 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45289000\n_cell_length_b 4.05567000\n_cell_length_c 5.95491000\n_cell_angle_alpha 130.02798000\n_cell_angle_beta 101.88343000\n_cell_angle_gamma 89.98552000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.69360873\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88169442 0.13075703 0.05660316 1\n C C1 1 0.92750127 0.90616556 0.14619901 1\n C C2 1 0.35336804 0.26313592 0.99846103 1\n C C3 1 0.62056787 0.97633944 0.53100573 1\n C C4 1 0.19194430 1.06343596 0.67352796 1\n C C5 1 0.45701700 0.77495279 0.20557411 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42839000\n_cell_length_b 4.16370000\n_cell_length_c 6.30390000\n_cell_angle_alpha 78.13153000\n_cell_angle_beta 101.06141000\n_cell_angle_gamma 90.01467000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.16683957\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73250977 0.32286584 0.88816717 1\n C C1 1 0.94768786 0.85057141 0.29614641 1\n C C2 1 0.07594251 0.19490343 0.57601787 1\n C C3 1 0.28592342 0.35920964 -0.00899240 1\n C C4 1 0.43418900 0.70294351 0.27131896 1\n C C5 1 0.96112212 0.18629101 0.33702595 1\n C C6 1 0.62842485 0.23007285 0.67906922 1\n C C7 1 0.40783807 0.36710261 0.23022021 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44593000\n_cell_length_b 6.37679000\n_cell_length_c 4.56985000\n_cell_angle_alpha 87.46648000\n_cell_angle_beta 105.41102000\n_cell_angle_gamma 101.03335000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.44219630\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54579892 0.56388806 0.78826124 1\n C C1 1 0.76908218 0.48020149 0.31312483 1\n C C2 1 1.18020610 0.35378577 0.26119933 1\n C C3 1 0.07390886 0.14307619 0.26461526 1\n C C4 1 0.53643705 0.01714673 0.31575854 1\n C C5 1 -0.04150539 0.52941078 0.64601917 1\n C C6 1 0.32744122 0.82063398 0.09567129 1\n C C7 1 0.75606441 0.67565693 0.09592417 1\n C C8 1 0.67491927 -0.03562605 0.64703240 1\n C C9 1 0.22703928 0.92990212 0.78879307 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45920000\n_cell_length_b 6.41134000\n_cell_length_c 6.75484000\n_cell_angle_alpha 43.81426000\n_cell_angle_beta 79.36541000\n_cell_angle_gamma 78.93872000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.19720686\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14540977 0.55511151 1.01772464 1\n C C1 1 0.94064153 0.36984619 0.62999864 1\n C C2 1 0.86486046 0.71267383 0.43603898 1\n C C3 1 0.18528966 1.00419443 0.50972266 1\n C C4 1 0.83786972 0.27900857 0.91931473 1\n C C5 1 0.59053186 0.64445235 0.03982898 1\n C C6 1 0.29394257 0.74511194 0.54479977 1\n C C7 1 0.62845361 0.09420325 0.53136120 1\n C C8 1 0.90963319 0.93599282 0.11317423 1\n C C9 1 0.27435388 0.43629118 0.88902242 1\n C C10 1 0.50386350 0.21239636 0.66037734 1\n C C11 1 0.47967956 0.90377928 1.00472920 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48802000\n_cell_length_b 4.30544000\n_cell_length_c 4.30413000\n_cell_angle_alpha 99.58635000\n_cell_angle_beta 89.98185000\n_cell_angle_gamma 73.22803000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47099977\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62282174 0.32284368 0.12960815 1\n C C1 1 0.43570492 0.69757427 0.19185500 1\n C C2 1 0.37256400 0.82284948 0.87959671 1\n C C3 1 0.87267627 0.82282129 0.37959139 1\n C C4 1 0.93555939 0.69753862 0.69189543 1\n C C5 1 0.18581713 0.19753282 0.94190687 1\n C C6 1 0.12267621 0.32280803 0.62964857 1\n C C7 1 0.68570487 0.19756101 0.44191219 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.57300000\n_cell_length_b 4.11862000\n_cell_length_c 8.52446000\n_cell_angle_alpha 72.83598000\n_cell_angle_beta 103.71386000\n_cell_angle_gamma 92.11321000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.79839394\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37718818 0.55265105 0.66134332 1\n C C1 1 0.17937268 0.25593915 0.74799481 1\n C C2 1 1.00391662 0.86775128 0.16763392 1\n C C3 1 0.81587016 0.79142528 0.91226348 1\n C C4 1 0.63554893 0.13288891 0.34051688 1\n C C5 1 0.31548198 0.01467875 0.91404378 1\n C C6 1 0.95485230 0.56167033 1.10090479 1\n C C7 1 0.68373376 0.77706297 0.73064167 1\n C C8 1 0.23590039 0.55427700 0.47722810 1\n C C9 1 0.44658947 0.05624076 0.08577348 1\n C C10 1 0.13841825 -0.09564917 0.34669061 1\n C C11 1 -0.13547331 0.08760144 0.64341841 1\n C C12 1 0.73141299 0.32893491 0.46995662 1\n C C13 1 0.49279541 0.35479525 0.15006174 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42485000\n_cell_length_b 4.21359000\n_cell_length_c 4.20756000\n_cell_angle_alpha 89.12255000\n_cell_angle_beta 89.97018000\n_cell_angle_gamma 90.01627000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.98495376\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35966989 0.77002303 1.02710793 1\n C C1 1 0.85972715 0.27252799 0.11573336 1\n C C2 1 0.35971006 0.11730108 0.08746457 1\n C C3 1 0.35937240 0.71070442 0.67980587 1\n C C4 1 0.85943453 0.67844611 0.52466381 1\n C C5 1 -0.14047994 0.61972008 0.17719946 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45283000\n_cell_length_b 3.39037000\n_cell_length_c 5.77708000\n_cell_angle_alpha 114.20064000\n_cell_angle_beta 78.20237000\n_cell_angle_gamma 110.58264000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.92028408\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65087967 0.21840790 0.01564235 1\n C C1 1 0.18852679 0.87707815 0.61329936 1\n C C2 1 0.79123642 0.95920147 0.48371610 1\n C C3 1 0.02623310 0.36381194 0.42198336 1\n C C4 1 0.62761037 0.44396470 0.29142771 1\n C C5 1 0.15394685 0.09659304 0.88987141 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42808000\n_cell_length_b 5.64290000\n_cell_length_c 3.96622000\n_cell_angle_alpha 126.73905000\n_cell_angle_beta 91.29033000\n_cell_angle_gamma 100.54278000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.20855027\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15017847 0.99094097 0.42515545 1\n C C1 1 0.81676559 0.32373075 0.09214554 1\n C C2 1 1.03911055 0.76722358 -0.01873359 1\n C C3 1 0.70545991 0.09974742 0.64831124 1\n C C4 1 0.37245089 0.43367219 0.31488921 1\n C C5 1 0.48345749 0.65742568 0.75873565 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31995000\n_cell_length_b 4.21447000\n_cell_length_c 5.96747000\n_cell_angle_alpha 90.06984000\n_cell_angle_beta 99.04889000\n_cell_angle_gamma 129.13667000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.40417159\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54789744 0.55964617 0.43845726 1\n C C1 1 0.76057416 0.66599981 0.85005624 1\n C C2 1 0.89129131 0.88669431 0.07616761 1\n C C3 1 0.41796608 0.64988951 0.21249120 1\n C C4 1 0.65489416 0.78384946 0.64439188 1\n C C5 1 0.54922461 0.23466188 0.43833594 1\n C C6 1 0.41817686 0.01335875 0.21252971 1\n C C7 1 -0.34613469 0.11697367 0.64433930 1\n C C8 1 0.76160924 0.34093466 0.85008250 1\n C C9 1 0.89157593 0.25019259 0.07618787 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45686000\n_cell_length_b 3.66415000\n_cell_length_c 6.41176000\n_cell_angle_alpha 74.52386000\n_cell_angle_beta 90.02654000\n_cell_angle_gamma 70.41949000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.15344011\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01053786 0.86688976 0.36578748 1\n C C1 1 0.50882513 -0.12992902 0.84569304 1\n C C2 1 0.23277766 0.41856775 0.41787281 1\n C C3 1 0.22914725 0.42745026 0.16933253 1\n C C4 1 0.95707954 -0.02713769 0.74026202 1\n C C5 1 0.60764385 0.67310751 0.08187575 1\n C C6 1 0.45441903 0.97893442 0.22031073 1\n C C7 1 0.85629887 0.17300161 0.50454225 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42063000\n_cell_length_b 2.69576000\n_cell_length_c 12.80184000\n_cell_angle_alpha 100.45804000\n_cell_angle_beta 95.79312000\n_cell_angle_gamma 86.95225000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.67847882\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36465901 0.84169078 0.18673907 1\n C C1 1 0.30540768 -0.12105008 0.07743915 1\n C C2 1 0.63729968 0.15918653 0.73809783 1\n C C3 1 0.47852088 0.79136490 0.40397077 1\n C C4 1 0.89220777 0.81879145 0.24057446 1\n C C5 1 -0.04864342 0.78552773 0.34895276 1\n C C6 1 0.05928788 0.92632718 0.57102088 1\n C C7 1 0.71774429 -0.17317980 0.90678208 1\n C C8 1 0.11330428 0.08035938 0.68302689 1\n C C9 1 0.69509391 0.28408714 0.85461474 1\n C C10 1 0.53450876 0.86357096 0.51547474 1\n C C11 1 0.77857677 0.88448792 0.02327563 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46535000\n_cell_length_b 3.21419000\n_cell_length_c 7.37245000\n_cell_angle_alpha 90.90828000\n_cell_angle_beta 99.59350000\n_cell_angle_gamma 112.54768000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.99548052\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94712458 0.43774112 0.82363501 1\n C C1 1 0.63393406 0.34807509 0.29024983 1\n C C2 1 0.19258616 0.35573283 0.39857663 1\n C C3 1 0.47227569 0.75585093 0.55836025 1\n C C4 1 1.02325851 0.40826113 0.00776001 1\n C C5 1 0.38764077 0.42892254 0.71528269 1\n C C6 1 0.10922055 0.03108348 0.55585829 1\n C C7 1 0.56173278 0.38718148 0.10679908 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48774000\n_cell_length_b 3.51516000\n_cell_length_c 4.97350000\n_cell_angle_alpha 90.00094000\n_cell_angle_beta 90.01177000\n_cell_angle_gamma 89.99806000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.49228243\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89449465 0.81559151 0.58836692 1\n C C1 1 0.39449465 0.56639954 0.08836692 1\n C C2 1 0.39449465 0.31559151 0.33836692 1\n C C3 1 0.39449465 0.31559151 0.83836692 1\n C C4 1 0.89449465 0.06639954 0.33836692 1\n C C5 1 0.39449465 0.56639954 0.58836692 1\n C C6 1 0.89449465 0.81559151 0.08836692 1\n C C7 1 0.89449465 0.06639954 0.83836692 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45667000\n_cell_length_b 3.66762000\n_cell_length_c 6.47904000\n_cell_angle_alpha 73.41400000\n_cell_angle_beta 89.99878000\n_cell_angle_gamma 70.41235000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.41359294\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19568580 0.49378270 0.78417045 1\n C C1 1 0.60326390 0.67721018 0.06725286 1\n C C2 1 0.97820846 0.92548605 0.98037885 1\n C C3 1 1.24607821 0.38820376 0.41024295 1\n C C4 1 0.69983655 0.48226155 0.30346866 1\n C C5 1 0.75455246 0.37556445 0.92944374 1\n C C6 1 -0.03176566 0.94438712 0.73347021 1\n C C7 1 0.34440918 0.19311670 0.64630519 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48405000\n_cell_length_b 3.92595000\n_cell_length_c 6.39605000\n_cell_angle_alpha 79.63488000\n_cell_angle_beta 101.18555000\n_cell_angle_gamma 108.44196000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.57559037\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68133543 0.79022205 0.86360349 1\n C C1 1 0.45327122 0.38602694 0.81722723 1\n C C2 1 0.82112672 0.21148414 0.72867557 1\n C C3 1 0.26600460 0.82247517 0.00087299 1\n C C4 1 0.07498110 1.04701473 0.40292202 1\n C C5 1 0.70772281 1.22297012 0.49122639 1\n C C6 1 0.85339055 0.64265403 0.35674301 1\n C C7 1 0.05738393 0.24223438 0.17290233 1\n C C8 1 0.46884000 0.19042379 0.04715357 1\n C C9 1 0.26932423 0.61131224 0.21936182 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43304000\n_cell_length_b 5.41412000\n_cell_length_c 6.42953000\n_cell_angle_alpha 84.65301000\n_cell_angle_beta 79.02193000\n_cell_angle_gamma 89.96126000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 82.77040126\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02153473 0.34523503 0.40957934 1\n C C1 1 0.84301641 0.72220029 0.76929671 1\n C C2 1 0.81429503 0.45353748 0.82169171 1\n C C3 1 0.69130001 0.36693188 0.06748235 1\n C C4 1 0.33647801 0.84413860 0.78167904 1\n C C5 1 0.71019936 0.09051161 1.02832060 1\n C C6 1 1.12437389 0.72578856 0.19387211 1\n C C7 1 0.35270797 0.32423333 0.74714491 1\n C C8 1 0.46810112 0.32323656 0.51490026 1\n C C9 1 0.28366097 0.07851315 0.88406084 1\n C C10 1 0.13283218 0.44592439 0.18233896 1\n C C11 1 0.63309251 0.85406534 0.17590009 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48091000\n_cell_length_b 3.68803000\n_cell_length_c 4.21432000\n_cell_angle_alpha 104.75694000\n_cell_angle_beta 90.07417000\n_cell_angle_gamma 70.38466000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97342024\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97357336 0.18408308 0.87193404 1\n C C1 1 0.23240348 0.66729478 0.30076386 1\n C C2 1 -0.24823018 0.62893846 0.07818504 1\n C C3 1 0.43453380 0.26864218 0.37549511 1\n C C4 1 0.01258017 0.11241578 0.50675567 1\n C C5 1 0.55219587 0.02685072 0.00281288 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48850000\n_cell_length_b 4.30559000\n_cell_length_c 4.30613000\n_cell_angle_alpha 120.00263000\n_cell_angle_beta 106.79784000\n_cell_angle_gamma 106.77425000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61589943\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21719678 0.23509889 0.41343234 1\n C C1 1 0.96699314 0.48495791 0.66328251 1\n C C2 1 0.96698643 0.15160474 -0.00341398 1\n C C3 1 1.21719330 0.56842960 1.08009469 1\n C C4 1 -0.03301009 0.81827403 0.32992367 1\n C C5 1 0.21719006 -0.09825428 0.74673586 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42717000\n_cell_length_b 3.26454000\n_cell_length_c 4.54418000\n_cell_angle_alpha 89.89707000\n_cell_angle_beta 71.36843000\n_cell_angle_gamma 89.83776000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.17623515\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87069267 0.20478173 0.18899107 1\n C C1 1 0.51017395 0.48355255 0.35482980 1\n C C2 1 0.20416227 1.13731301 0.32392706 1\n C C3 1 0.56548657 0.85571730 0.15793643 1\n C C4 1 0.06533147 0.98369176 0.65772258 1\n C C5 1 1.01048731 0.35505802 0.85464709 1\n C C6 1 0.70361541 0.70557049 0.82375544 1\n C C7 1 0.37034506 0.63643535 0.68900422 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42869000\n_cell_length_b 2.42841000\n_cell_length_c 11.31354000\n_cell_angle_alpha 88.05328000\n_cell_angle_beta 88.36584000\n_cell_angle_gamma 59.98012000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.73603859\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05469203 0.53471156 0.74920217 1\n C C1 1 0.61179691 0.20157175 0.74879524 1\n C C2 1 0.52717222 0.18450580 0.23945584 1\n C C3 1 -0.11247043 0.48305255 0.99163074 1\n C C4 1 0.56424177 0.22793114 0.50594999 1\n C C5 1 0.23079007 0.89473340 0.50581654 1\n C C6 1 0.22056376 0.81647606 0.99199371 1\n C C7 1 0.19402274 0.85108634 0.23941767 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46163000\n_cell_length_b 3.39879000\n_cell_length_c 5.30710000\n_cell_angle_alpha 95.14792000\n_cell_angle_beta 89.98511000\n_cell_angle_gamma 111.23935000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.19436977\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04098347 1.00753847 0.13205235 1\n C C1 1 0.61897024 0.16419815 0.81031916 1\n C C2 1 0.44454951 0.81393197 1.00621590 1\n C C3 1 0.58469988 1.09768203 0.53476721 1\n C C4 1 0.07138661 0.07177915 0.40783760 1\n C C5 1 0.21537489 0.35746043 0.93743238 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43004000\n_cell_length_b 5.77436000\n_cell_length_c 5.69992000\n_cell_angle_alpha 48.79468000\n_cell_angle_beta 100.40450000\n_cell_angle_gamma 86.10578000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.26590921\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37575597 0.14597397 0.30492489 1\n C C1 1 0.62571001 0.39620106 0.80481735 1\n C C2 1 0.54281261 0.97832055 0.63840951 1\n C C3 1 0.87577214 0.64574077 0.30498973 1\n C C4 1 1.04281868 0.47874167 0.63831145 1\n C C5 1 0.29277069 0.72840936 0.13834348 1\n C C6 1 0.79274744 0.22876228 0.13824093 1\n C C7 1 0.12572025 0.89566064 0.80495296 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44287000\n_cell_length_b 7.58093000\n_cell_length_c 6.38651000\n_cell_angle_alpha 64.29457000\n_cell_angle_beta 78.99778000\n_cell_angle_gamma 80.75775000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 104.20387523\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38845999 0.14678006 0.67533231 1\n C C1 1 0.86000098 0.24131666 0.63867753 1\n C C2 1 0.67992439 0.45420091 0.80359189 1\n C C3 1 0.25926397 0.77353847 0.30189455 1\n C C4 1 0.43997680 0.92606949 0.78730383 1\n C C5 1 0.32097602 0.53942318 0.42226238 1\n C C6 1 0.01412591 0.45341460 0.13606508 1\n C C7 1 0.12750666 0.44282509 0.91681391 1\n C C8 1 0.45461507 0.47111872 0.23344088 1\n C C9 1 1.12571385 0.84594802 0.49079089 1\n C C10 1 0.56715017 0.86733597 0.58496175 1\n C C11 1 0.79067777 0.45660860 0.56777967 1\n C C12 1 0.89332394 0.87351734 0.93104764 1\n C C13 1 0.80262900 0.82760419 0.15938918 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.24993000\n_cell_length_b 4.16024000\n_cell_length_c 4.96615000\n_cell_angle_alpha 97.48731000\n_cell_angle_beta 87.25444000\n_cell_angle_gamma 80.95534000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.58398557\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78830089 0.04414999 -0.07814465 1\n C C1 1 1.09145047 0.56345316 0.63901203 1\n C C2 1 0.18238825 0.99301147 0.32914063 1\n C C3 1 0.08909667 0.87545444 0.06807713 1\n C C4 1 0.68174341 0.47399009 0.29096300 1\n C C5 1 0.34989600 0.59783104 0.88780389 1\n C C6 1 -0.01940784 0.30457480 0.43806112 1\n C C7 1 0.67650906 0.78537324 0.72222988 1\n C C8 1 0.58917045 0.35637290 0.02924253 1\n C C9 1 0.41767444 0.75069566 0.47316316 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56375000\n_cell_length_b 2.47942000\n_cell_length_c 5.72902000\n_cell_angle_alpha 77.56363000\n_cell_angle_beta 89.79190000\n_cell_angle_gamma 89.97280000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.56242623\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46893096 0.00379269 0.58777457 1\n C C1 1 0.46427461 0.69566148 0.20844485 1\n C C2 1 0.96592264 0.34839493 0.90305737 1\n C C3 1 0.46429638 0.26854551 0.06344065 1\n C C4 1 -0.03276599 -0.07501847 0.74844406 1\n C C5 1 0.46880739 0.57560256 0.44357239 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47538000\n_cell_length_b 4.59407000\n_cell_length_c 5.85845000\n_cell_angle_alpha 102.10850000\n_cell_angle_beta 115.14221000\n_cell_angle_gamma 90.05407000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.66273730\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73160651 0.44426126 0.32190977 1\n C C1 1 0.87736582 0.75661027 0.46658572 1\n C C2 1 0.81181221 0.44701510 -0.09775069 1\n C C3 1 0.70124779 0.96199620 0.29068626 1\n C C4 1 -0.09132607 0.23865004 0.49777572 1\n C C5 1 0.55060829 0.85583774 0.63928586 1\n C C6 1 0.56850360 0.21323718 0.65637220 1\n C C7 1 0.04125120 0.98705099 0.13210568 1\n C C8 1 0.79588426 0.75317905 0.88622711 1\n C C9 1 0.05827438 0.34517486 0.14942169 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.57329000\n_cell_length_b 4.24110000\n_cell_length_c 4.64396000\n_cell_angle_alpha 82.01365000\n_cell_angle_beta 101.31832000\n_cell_angle_gamma 103.96968000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.00294632\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38169090 0.78492224 0.76317564 1\n C C1 1 0.98106357 0.26200640 0.55035691 1\n C C2 1 0.67681079 0.74710526 0.30379699 1\n C C3 1 0.16823031 0.62856816 0.48724406 1\n C C4 1 0.76716667 0.10473648 0.27472635 1\n C C5 1 0.59199611 0.28086656 1.02049678 1\n C C6 1 0.55689314 0.60834608 0.01746126 1\n C C7 1 0.47291590 0.14297304 0.73386240 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46301000\n_cell_length_b 5.08166000\n_cell_length_c 7.46522000\n_cell_angle_alpha 64.90522000\n_cell_angle_beta 99.51147000\n_cell_angle_gamma 90.00131000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.19596608\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07195714 0.44715148 0.34252228 1\n C C1 1 0.83183534 -0.04889762 0.86005563 1\n C C2 1 0.45126255 0.27202719 0.09923390 1\n C C3 1 0.47864849 0.92090494 0.15577066 1\n C C4 1 0.54843046 0.30976558 0.29523275 1\n C C5 1 0.63818090 1.00252017 0.47477023 1\n C C6 1 0.79159434 0.49282673 0.78093221 1\n C C7 1 1.19049996 0.30604597 0.57495125 1\n C C8 1 0.13684823 0.83341481 0.47208772 1\n C C9 1 0.38076170 0.91391296 -0.04129094 1\n C C10 1 0.72049919 0.11288728 0.63659599 1\n C C11 1 0.89126906 0.37911851 -0.01918762 1\n C C12 1 0.04030748 0.78144585 0.27786234 1\n C C13 1 0.23054244 0.53636836 0.65957220 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47816000\n_cell_length_b 4.28786000\n_cell_length_c 7.21808000\n_cell_angle_alpha 119.66847000\n_cell_angle_beta 99.88004000\n_cell_angle_gamma 89.99252000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.33301241\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46485170 0.27267324 0.03906160 1\n C C1 1 1.09018861 0.98177549 0.28983634 1\n C C2 1 -0.03511864 0.77253005 1.03892768 1\n C C3 1 0.63142772 0.21784908 0.37337152 1\n C C4 1 0.59031696 0.48200551 0.29005542 1\n C C5 1 0.75640062 0.42362954 0.62071250 1\n C C6 1 1.13155410 0.71812911 0.37353812 1\n C C7 1 0.29765508 0.65975288 0.70407884 1\n C C8 1 0.92348538 0.36923924 0.95504277 1\n C C9 1 0.25657200 0.92389706 0.62086323 1\n C C10 1 0.79781383 0.15992442 0.70425266 1\n C C11 1 0.42351834 0.86916629 0.95494892 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.90586000\n_cell_length_b 4.79956000\n_cell_length_c 7.72802000\n_cell_angle_alpha 93.42318000\n_cell_angle_beta 103.16386000\n_cell_angle_gamma 106.12155000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 99.94753572\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36301811 0.16188996 0.08373131 1\n C C1 1 0.38180435 0.84422644 0.81095094 1\n C C2 1 0.53925447 0.02033752 0.54341128 1\n C C3 1 0.31099392 0.88879754 0.98148366 1\n C C4 1 0.24337926 0.65984373 1.08926548 1\n C C5 1 -0.02031417 0.33685978 0.81439104 1\n C C6 1 0.13756019 0.56212859 0.71353211 1\n C C7 1 0.30218528 0.79219791 0.26322571 1\n C C8 1 1.26470596 0.74553584 0.43765544 1\n C C9 1 0.19110930 0.38011058 1.00639596 1\n C C10 1 0.48651716 0.10876712 0.26263174 1\n C C11 1 0.03227166 0.51464773 0.52200904 1\n C C12 1 0.70311317 0.24146014 0.43818934 1\n C C13 1 0.63777586 1.06889791 0.72663828 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46606000\n_cell_length_b 3.51599000\n_cell_length_c 7.40361000\n_cell_angle_alpha 103.73562000\n_cell_angle_beta 95.75188000\n_cell_angle_gamma 65.03829000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.53333304\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52549975 0.39081924 0.54962321 1\n C C1 1 0.83594857 0.66432036 0.54940899 1\n C C2 1 0.52402322 0.79786149 0.36224892 1\n C C3 1 0.18226976 0.15397206 0.80602118 1\n C C4 1 1.00353257 0.58892295 -0.04354186 1\n C C5 1 -0.16546752 1.07171098 0.36242393 1\n C C6 1 1.35922944 0.86960364 0.95653554 1\n C C7 1 0.68189628 0.09471602 0.68608017 1\n C C8 1 0.67974980 0.36592863 0.22604376 1\n C C9 1 0.18052313 0.30490932 0.10618295 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48914000\n_cell_length_b 4.97691000\n_cell_length_c 4.30498000\n_cell_angle_alpha 106.78729000\n_cell_angle_beta 90.00739000\n_cell_angle_gamma 120.04970000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.51613606\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29581430 0.17813045 0.53758358 1\n C C1 1 -0.20335879 0.67804762 0.03728787 1\n C C2 1 0.79563711 0.17804823 0.03756832 1\n C C3 1 0.17058676 0.05320059 0.16261126 1\n C C4 1 0.29667899 0.67809390 0.53726226 1\n C C5 1 1.17161281 0.55317024 0.16228928 1\n C C6 1 0.67074502 1.05324614 0.66258191 1\n C C7 1 0.67168361 0.55325745 0.66231202 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64351000\n_cell_length_b 4.66550000\n_cell_length_c 4.14412000\n_cell_angle_alpha 80.65622000\n_cell_angle_beta 73.53842000\n_cell_angle_gamma 60.61209000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.84113702\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03396020 0.25443245 0.65159569 1\n C C1 1 0.84615624 0.06718199 0.83710767 1\n C C2 1 0.32473904 0.09416031 0.36184773 1\n C C3 1 0.32023572 0.78070874 0.36632466 1\n C C4 1 0.56194451 0.53971277 0.12468700 1\n C C5 1 1.00807786 0.77585306 0.67716073 1\n C C6 1 -0.12688360 0.54477156 0.81336279 1\n C C7 1 0.55639603 0.22719112 0.12781871 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.87691000\n_cell_length_b 3.63833000\n_cell_length_c 4.92391000\n_cell_angle_alpha 102.03625000\n_cell_angle_beta 109.05002000\n_cell_angle_gamma 106.26965000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.13632284\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92558231 0.64750227 0.09669948 1\n C C1 1 0.42367518 0.70629566 0.59594888 1\n C C2 1 0.11967833 0.05253230 0.28765469 1\n C C3 1 0.42289539 0.08673779 0.59644323 1\n C C4 1 0.11851450 0.43268949 0.28832350 1\n C C5 1 0.61776018 0.49163699 0.78742562 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48046000\n_cell_length_b 2.48091000\n_cell_length_c 8.54316000\n_cell_angle_alpha 98.34309000\n_cell_angle_beta 73.12915000\n_cell_angle_gamma 120.02253000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.56002960\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30860045 0.20906580 0.87202715 1\n C C1 1 0.91288498 0.54260738 0.93455050 1\n C C2 1 0.49478539 0.20946744 0.68586550 1\n C C3 1 0.72427245 0.54311285 0.12330990 1\n C C4 1 0.80826474 0.20918245 0.37170357 1\n C C5 1 -0.00503375 0.20979465 0.18599748 1\n C C6 1 0.07896538 -0.12417063 0.43438088 1\n C C7 1 0.89049785 0.87602996 0.62336243 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47922000\n_cell_length_b 3.68804000\n_cell_length_c 4.89492000\n_cell_angle_alpha 92.98004000\n_cell_angle_beta 59.59485000\n_cell_angle_gamma 70.34503000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96494127\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43234363 0.05925956 0.13874331 1\n C C1 1 0.87959310 0.90267347 0.26974659 1\n C C2 1 0.92821499 0.81354095 0.76493734 1\n C C3 1 0.30844544 0.45685119 1.06327055 1\n C C4 1 0.47968222 -0.02885137 0.63447544 1\n C C5 1 0.05042382 0.41668489 0.84097607 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45837000\n_cell_length_b 3.39709000\n_cell_length_c 5.95066000\n_cell_angle_alpha 107.93775000\n_cell_angle_beta 77.99495000\n_cell_angle_gamma 68.90891000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.16914849\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00637966 0.39086635 0.61152450 1\n C C1 1 0.77968654 0.24760330 0.20789420 1\n C C2 1 0.53487458 0.46238060 0.48373366 1\n C C3 1 0.39591395 1.14056837 0.08114203 1\n C C4 1 0.17046769 0.99615370 0.67742068 1\n C C5 1 0.64126428 -0.07509162 0.80522394 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.67991000\n_cell_length_b 3.71680000\n_cell_length_c 5.94124000\n_cell_angle_alpha 105.24228000\n_cell_angle_beta 105.65318000\n_cell_angle_gamma 98.24497000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.45825936\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29356432 0.07407607 0.38279937 1\n C C1 1 0.61988792 0.37463970 0.51018055 1\n C C2 1 0.57375793 0.30841508 0.89758210 1\n C C3 1 0.11886392 0.87359975 0.50903780 1\n C C4 1 0.74837508 0.50871943 0.77163493 1\n C C5 1 0.80936109 0.31327049 0.14051817 1\n C C6 1 0.81659021 0.54842814 0.38215401 1\n C C7 1 1.04598610 0.83630976 0.89770333 1\n C C8 1 1.05459161 1.07056692 0.14059971 1\n C C9 1 0.24745991 1.00776546 0.77061674 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53947000\n_cell_length_b 4.96045000\n_cell_length_c 5.28109000\n_cell_angle_alpha 61.95184000\n_cell_angle_beta 76.07369000\n_cell_angle_gamma 59.24761000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.45638741\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00323970 0.33050717 0.66081813 1\n C C1 1 0.34924606 0.82308669 0.98139078 1\n C C2 1 0.34636304 0.25334324 0.12866928 1\n C C3 1 0.32366672 1.00870230 0.66083332 1\n C C4 1 0.50132821 0.95285612 0.41745141 1\n C C5 1 -0.17525009 0.62993566 0.41741861 1\n C C6 1 0.98059319 0.61811773 0.12875114 1\n C C7 1 -0.02181763 0.19556458 0.98133354 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43227000\n_cell_length_b 4.20303000\n_cell_length_c 5.62155000\n_cell_angle_alpha 89.00084000\n_cell_angle_beta 92.60359000\n_cell_angle_gamma 89.85348000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.40018964\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90163945 0.09671254 0.58384792 1\n C C1 1 0.90126505 0.42936443 0.58384914 1\n C C2 1 0.96884384 0.72430171 0.08997647 1\n C C3 1 0.46921824 0.89164982 0.08997525 1\n C C4 1 0.40126505 0.92936443 0.58384914 1\n C C5 1 0.46884384 0.22430171 0.08997647 1\n C C6 1 0.96921824 0.39164982 1.08997525 1\n C C7 1 0.40163945 0.59671254 0.58384792 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45360000\n_cell_length_b 5.19613000\n_cell_length_c 5.18998000\n_cell_angle_alpha 84.28994000\n_cell_angle_beta 90.00973000\n_cell_angle_gamma 89.97962000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 65.83989593\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26480809 0.27619137 0.44804755 1\n C C1 1 0.26470989 0.50442247 0.21999163 1\n C C2 1 0.76422473 0.88541742 0.37446623 1\n C C3 1 0.26473128 0.45876146 -0.04956348 1\n C C4 1 0.76481839 0.38561210 0.55930746 1\n C C5 1 0.76479507 0.42866944 0.82924520 1\n C C6 1 0.26419576 1.00765475 0.40187461 1\n C C7 1 0.76460379 0.61552008 0.33044780 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58768000\n_cell_length_b 4.60449000\n_cell_length_c 5.51401000\n_cell_angle_alpha 78.70259000\n_cell_angle_beta 131.80988000\n_cell_angle_gamma 100.19449000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.92390227\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08396434 0.24182674 0.77268961 1\n C C1 1 0.34724961 0.52830580 -0.08794417 1\n C C2 1 0.15856079 0.77520846 0.42458291 1\n C C3 1 0.70911701 0.71412681 0.79188468 1\n C C4 1 0.06844036 0.98994979 0.94647596 1\n C C5 1 0.79968179 0.49870020 0.27026451 1\n C C6 1 0.78553139 0.24657381 0.44427673 1\n C C7 1 0.52089131 0.96047668 0.30456968 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.73438000\n_cell_length_b 3.62048000\n_cell_length_c 4.82201000\n_cell_angle_alpha 68.13703000\n_cell_angle_beta 48.06497000\n_cell_angle_gamma 74.59751000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.99720810\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32516953 0.36526162 0.52433625 1\n C C1 1 0.32491948 0.74632237 0.52434187 1\n C C2 1 0.32594487 0.09253501 0.83146222 1\n C C3 1 0.32594068 0.71180284 0.83126549 1\n C C4 1 0.32477007 0.15184155 0.33188832 1\n C C5 1 0.32629627 0.30628361 0.02373384 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04966000\n_cell_length_b 4.56232000\n_cell_length_c 5.91328000\n_cell_angle_alpha 68.99015000\n_cell_angle_beta 74.94054000\n_cell_angle_gamma 73.32975000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.43453581\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04723952 1.04512354 0.19270553 1\n C C1 1 -0.08032038 0.26110554 0.32171072 1\n C C2 1 1.07830942 0.53361032 0.17048595 1\n C C3 1 0.49374833 1.05865375 0.75215522 1\n C C4 1 -0.04919833 0.75003367 0.29890482 1\n C C5 1 0.69657713 0.28975284 0.55258060 1\n C C6 1 0.50687178 0.73513251 0.74082479 1\n C C7 1 0.70325486 0.61209750 0.54206552 1\n C C8 1 0.29678532 0.18207192 0.95062057 1\n C C9 1 0.30332204 0.50437222 0.94010087 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.83480000\n_cell_length_b 6.54899000\n_cell_length_c 5.99556000\n_cell_angle_alpha 105.47983000\n_cell_angle_beta 113.77764000\n_cell_angle_gamma 109.25726000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 145.37744830\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08587749 -0.08897162 0.79472824 1\n C C1 1 0.15831856 0.90709590 0.42577648 1\n C C2 1 0.32502503 0.40933565 0.78550326 1\n C C3 1 -0.11993803 0.40469527 0.38079490 1\n C C4 1 0.52680082 0.40623288 0.67258050 1\n C C5 1 0.05553900 0.40575701 1.02680102 1\n C C6 1 0.76847343 0.90719844 0.64515908 1\n C C7 1 0.60381593 -0.08941842 0.79452333 1\n C C8 1 0.84399955 0.90620205 0.27829790 1\n C C9 1 0.28887757 0.91071210 0.68300983 1\n C C10 1 0.84436773 0.40927422 0.78584494 1\n C C11 1 0.32463466 0.90621686 0.27807538 1\n C C12 1 0.40051194 0.40802705 0.41854097 1\n C C13 1 0.11334518 0.90973348 0.03704238 1\n C C14 1 0.01077926 0.40848459 0.63804384 1\n C C15 1 0.81733096 0.90957463 0.03688426 1\n C C16 1 0.35150984 0.40599088 1.02685136 1\n C C17 1 0.56497130 0.40471051 0.26906249 1\n C C18 1 0.64210872 0.90912899 0.39121313 1\n C C19 1 1.08304658 0.40403892 0.26910690 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45346000\n_cell_length_b 4.06924000\n_cell_length_c 5.87941000\n_cell_angle_alpha 129.16753000\n_cell_angle_beta 102.04097000\n_cell_angle_gamma 90.08069000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.81597767\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56836375 0.80529602 0.94971988 1\n C C1 1 0.40624565 0.60152774 0.62144962 1\n C C2 1 1.14042878 0.89649896 1.09373168 1\n C C3 1 0.30714032 0.10108227 0.42237401 1\n C C4 1 0.87747057 0.73318375 0.56243595 1\n C C5 1 -0.16229937 -0.02926423 0.48243295 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48692000\n_cell_length_b 4.30441000\n_cell_length_c 3.51601000\n_cell_angle_alpha 65.90249000\n_cell_angle_beta 89.99139000\n_cell_angle_gamma 73.19321000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.58950298\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00154954 0.50363350 0.82327407 1\n C C1 1 0.83162251 0.83689962 0.40705605 1\n C C2 1 0.66524828 0.17029048 0.48992649 1\n C C3 1 0.49842033 0.50355659 0.07370847 1\n C C4 1 0.16522053 0.17021760 0.74035135 1\n C C5 1 0.33165026 0.83697249 0.15663119 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44213000\n_cell_length_b 4.85085000\n_cell_length_c 6.55970000\n_cell_angle_alpha 112.43443000\n_cell_angle_beta 100.51633000\n_cell_angle_gamma 59.97806000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.18734270\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63167602 1.04468548 0.21545152 1\n C C1 1 0.37713967 0.52061748 0.65445407 1\n C C2 1 1.03364586 0.84424832 0.61443574 1\n C C3 1 0.77485208 0.79784751 0.00417124 1\n C C4 1 0.33210561 0.68642585 -0.10263673 1\n C C5 1 0.03265525 0.32038473 0.56534786 1\n C C6 1 1.07448230 0.15592650 0.32223266 1\n C C7 1 0.37659831 -0.00373118 0.60465903 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35984000\n_cell_length_b 4.66804000\n_cell_length_c 5.64653000\n_cell_angle_alpha 103.12676000\n_cell_angle_beta 90.29660000\n_cell_angle_gamma 109.35207000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.06015543\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39776426 0.75438610 0.81541490 1\n C C1 1 0.30942521 -0.04990164 0.43281132 1\n C C2 1 0.67337959 0.20976770 0.52240934 1\n C C3 1 0.19202194 0.98323320 1.00481025 1\n C C4 1 0.91016039 0.20945815 0.72908875 1\n C C5 1 0.11802450 0.75088876 0.59974637 1\n C C6 1 -0.16956141 0.47193453 0.43433862 1\n C C7 1 0.06574488 0.84519499 0.21484579 1\n C C8 1 0.85584502 0.91608663 0.79469009 1\n C C9 1 0.42677891 0.33504297 0.03781865 1\n C C10 1 0.26165335 0.43983724 0.86023728 1\n C C11 1 0.74956497 0.54079477 0.21495854 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48774000\n_cell_length_b 4.30391000\n_cell_length_c 4.30391000\n_cell_angle_alpha 99.58472000\n_cell_angle_beta 90.00259000\n_cell_angle_gamma 73.20581000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.44428123\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60767280 0.69755327 0.60782466 1\n C C1 1 1.10789078 0.69755127 0.10782321 1\n C C2 1 0.41930187 0.07267740 0.67005485 1\n C C3 1 0.91908389 1.07267940 0.17005630 1\n C C4 1 0.16965360 0.57267802 0.42052695 1\n C C5 1 0.85732107 0.19755265 0.85735256 1\n C C6 1 0.66996073 0.57267955 0.92052708 1\n C C7 1 0.35701394 0.19755112 0.35735243 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.25934000\n_cell_length_b 4.28537000\n_cell_length_c 4.82449000\n_cell_angle_alpha 106.96310000\n_cell_angle_beta 104.44742000\n_cell_angle_gamma 112.55716000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.97681238\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33967638 0.27124369 0.30095659 1\n C C1 1 0.41436381 0.79986674 0.65694311 1\n C C2 1 1.01607580 0.54800545 0.98212589 1\n C C3 1 0.38085706 -0.07253472 0.18129323 1\n C C4 1 0.66880125 0.59736952 0.30984733 1\n C C5 1 0.35931365 0.40981764 0.64882347 1\n C C6 1 0.67899336 0.60069730 0.98527423 1\n C C7 1 -0.00668036 0.55967760 0.46442115 1\n C C8 1 0.97237117 0.32771491 0.64953554 1\n C C9 1 0.62840971 0.93052295 0.47401325 1\n C C10 1 0.99721921 0.30984429 0.16373997 1\n C C11 1 0.63561207 0.95184884 0.00625265 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51530000\n_cell_length_b 3.31980000\n_cell_length_c 3.51708000\n_cell_angle_alpha 90.00003000\n_cell_angle_beta 120.02601000\n_cell_angle_gamma 90.01003000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53638929\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06742061 0.48535400 0.47424660 1\n C C1 1 0.29936263 0.32001738 0.24217972 1\n C C2 1 0.60336985 0.98553643 0.54607018 1\n C C3 1 0.06770568 0.15303998 0.77836988 1\n C C4 1 0.37155032 0.81994973 0.77844908 1\n C C5 1 0.60350590 0.65314519 0.24221893 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39829000\n_cell_length_b 2.45903000\n_cell_length_c 5.96641000\n_cell_angle_alpha 101.90753000\n_cell_angle_beta 62.47458000\n_cell_angle_gamma 111.22860000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.16847367\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96781028 0.23942162 0.40641717 1\n C C1 1 0.57462476 0.01057403 0.33987736 1\n C C2 1 0.82370643 0.86969940 0.80989053 1\n C C3 1 0.50352300 0.41082281 0.21245794 1\n C C4 1 0.03867768 0.83902379 0.53382149 1\n C C5 1 0.71712545 0.37973355 0.93663990 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43238000\n_cell_length_b 3.11327000\n_cell_length_c 8.07634000\n_cell_angle_alpha 88.13172000\n_cell_angle_beta 104.71209000\n_cell_angle_gamma 97.15005000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.69414458\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54399431 0.78638351 0.51294905 1\n C C1 1 0.46063714 0.21553100 0.92757054 1\n C C2 1 0.96030163 0.70380856 0.42934853 1\n C C3 1 0.21044955 0.46005445 0.17839204 1\n C C4 1 0.79435549 0.54219590 0.26221458 1\n C C5 1 0.71043164 0.95860484 0.67860580 1\n C C6 1 0.29423498 0.04302158 0.76195824 1\n C C7 1 0.04448597 0.29775726 1.01134152 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.40384000\n_cell_length_b 3.28562000\n_cell_length_c 10.55314000\n_cell_angle_alpha 65.66376000\n_cell_angle_beta 83.81267000\n_cell_angle_gamma 68.95094000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.79674254\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78840360 0.73536888 0.24231357 1\n C C1 1 -0.05243028 0.53439531 0.13405137 1\n C C2 1 0.47619497 0.99476225 0.60319191 1\n C C3 1 0.68177866 1.31308553 0.88068188 1\n C C4 1 0.13213170 0.48031112 0.81101857 1\n C C5 1 0.74380507 1.03791257 0.02853586 1\n C C6 1 0.58740964 0.23835675 0.13620380 1\n C C7 1 0.84026856 0.47781159 0.39090471 1\n C C8 1 0.38180260 0.32352650 0.46187679 1\n C C9 1 1.03107119 0.81931128 0.67097274 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52024000\n_cell_length_b 4.58235000\n_cell_length_c 6.13004000\n_cell_angle_alpha 123.36030000\n_cell_angle_beta 89.91133000\n_cell_angle_gamma 90.03601000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.12872873\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02732587 0.82887779 0.76011552 1\n C C1 1 0.97230031 0.16696843 0.49793352 1\n C C2 1 0.97090218 0.46739286 0.26588728 1\n C C3 1 0.97165040 0.81058412 0.24968871 1\n C C4 1 -0.02647662 0.17244438 0.74433695 1\n C C5 1 0.47338323 0.35469768 0.90141502 1\n C C6 1 0.47266347 0.73794728 1.07876416 1\n C C7 1 0.47165638 0.28472664 0.10884162 1\n C C8 1 0.97121385 0.47284992 0.51214579 1\n C C9 1 0.47247635 -0.09869981 0.93114133 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.73619000\n_cell_length_b 4.49440000\n_cell_length_c 7.04670000\n_cell_angle_alpha 55.15901000\n_cell_angle_beta 70.41864000\n_cell_angle_gamma 74.58968000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.69993946\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19415869 0.57555163 0.42396308 1\n C C1 1 0.42295246 1.04601908 0.42699859 1\n C C2 1 0.47402795 0.67210515 0.18775457 1\n C C3 1 0.88553005 0.96402809 0.78937617 1\n C C4 1 0.97538929 0.80985877 0.51398135 1\n C C5 1 0.67847101 -0.00304851 0.98789933 1\n C C6 1 0.85325657 0.66068109 0.77550073 1\n C C7 1 0.16548554 0.21454092 0.56527291 1\n C C8 1 0.69610928 0.32904754 0.97841619 1\n C C9 1 0.54637696 0.34881993 0.18094757 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.69135000\n_cell_length_b 5.17871000\n_cell_length_c 3.26902000\n_cell_angle_alpha 71.40698000\n_cell_angle_beta 63.48707000\n_cell_angle_gamma 61.34905000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.63388814\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27385765 0.03831704 0.67087751 1\n C C1 1 0.34045389 0.77517745 0.48620608 1\n C C2 1 0.64561783 0.13972783 0.43569508 1\n C C3 1 0.08034400 0.90284292 0.18278191 1\n C C4 1 0.77480010 0.53848063 0.23329215 1\n C C5 1 0.14652827 0.63954773 0.99842538 1\n C C6 1 0.83992932 0.27457405 0.61628468 1\n C C7 1 0.58102153 0.40327266 0.05229041 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41069000\n_cell_length_b 3.58019000\n_cell_length_c 8.65951000\n_cell_angle_alpha 85.90973000\n_cell_angle_beta 82.12065000\n_cell_angle_gamma 70.33529000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.68912427\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43692301 0.72338101 1.01531679 1\n C C1 1 0.29941404 1.09423752 0.92107956 1\n C C2 1 1.07267356 0.44539177 0.01904748 1\n C C3 1 0.35256322 0.16590347 0.75370600 1\n C C4 1 0.28550698 0.86142337 0.17915350 1\n C C5 1 0.43248228 0.47902488 0.26751731 1\n C C6 1 0.86987511 0.36164344 0.51528096 1\n C C7 1 0.37884973 0.41914200 0.43756346 1\n C C8 1 0.06487476 0.28570068 0.19262439 1\n C C9 1 0.85762600 0.23184347 0.67606085 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44951000\n_cell_length_b 4.54572000\n_cell_length_c 4.60856000\n_cell_angle_alpha 86.51919000\n_cell_angle_beta 122.25264000\n_cell_angle_gamma 105.86671000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.51459575\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76943313 0.81662787 0.92269206 1\n C C1 1 0.11188525 0.87443586 0.73670600 1\n C C2 1 0.75558408 0.51457215 0.06096409 1\n C C3 1 0.24594152 0.07935507 0.26881266 1\n C C4 1 0.26297896 0.38322385 0.13308196 1\n C C5 1 0.90261406 1.02107660 0.45449553 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47720000\n_cell_length_b 2.47763000\n_cell_length_c 7.21880000\n_cell_angle_alpha 110.07979000\n_cell_angle_beta 99.85114000\n_cell_angle_gamma 119.99711000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68339342\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42823322 0.79092519 0.06559316 1\n C C1 1 0.76380241 0.20808231 0.31640071 1\n C C2 1 0.87129841 1.09234692 0.64715438 1\n C C3 1 0.64870502 0.56500209 0.73061093 1\n C C4 1 0.54184987 0.68016334 0.39992651 1\n C C5 1 -0.01736953 -0.01606425 -0.01860428 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43161000\n_cell_length_b 4.68107000\n_cell_length_c 7.94167000\n_cell_angle_alpha 95.41972000\n_cell_angle_beta 90.71867000\n_cell_angle_gamma 105.72221000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.55670993\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14414673 1.08409624 0.29559822 1\n C C1 1 0.58972271 -0.02622969 0.85204152 1\n C C2 1 0.47659155 0.75066690 0.46232934 1\n C C3 1 0.81134321 0.41897829 0.63013119 1\n C C4 1 0.14401014 0.08380331 0.79543327 1\n C C5 1 0.25668520 0.30836191 0.68612725 1\n C C6 1 0.92215276 0.64033904 0.51841887 1\n C C7 1 0.92303585 0.64046345 0.01847709 1\n C C8 1 0.58975619 -0.02596083 0.35221383 1\n C C9 1 1.25753894 0.30859659 0.18628274 1\n C C10 1 0.81217160 0.41922924 0.13028254 1\n C C11 1 0.47735112 0.75068495 0.96230304 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28086000\n_cell_length_b 3.26823000\n_cell_length_c 4.23394000\n_cell_angle_alpha 123.88557000\n_cell_angle_beta 84.72049000\n_cell_angle_gamma 80.80697000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.28421410\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70814665 0.09041899 0.21442483 1\n C C1 1 0.07928403 0.88783516 0.59632840 1\n C C2 1 0.29113272 0.33767353 0.83328931 1\n C C3 1 0.02526203 0.77463378 0.21473767 1\n C C4 1 0.44004936 0.52644858 0.59589658 1\n C C5 1 0.65291092 0.97586976 0.83287481 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45263000\n_cell_length_b 5.97366000\n_cell_length_c 7.58959000\n_cell_angle_alpha 112.95675000\n_cell_angle_beta 108.74661000\n_cell_angle_gamma 78.20275000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 96.55800983\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.18609258 0.71412027 0.91520016 1\n C C1 1 0.35809403 0.73506843 0.46296519 1\n C C2 1 0.03896025 1.00221698 0.78330312 1\n C C3 1 0.25156865 1.21435508 0.59757171 1\n C C4 1 0.37013351 0.13160969 0.17322982 1\n C C5 1 0.48062340 0.17125423 0.80929075 1\n C C6 1 0.72039957 0.07922817 0.49942915 1\n C C7 1 0.51752543 0.51560081 0.50938098 1\n C C8 1 0.56382182 -0.05300962 0.27665797 1\n C C9 1 0.02607603 0.55659566 0.04481978 1\n C C10 1 0.57734085 0.39075833 1.01408969 1\n C C11 1 0.22936728 0.81674121 0.88608701 1\n C C12 1 0.78572666 0.23401216 0.14393913 1\n C C13 1 1.12282443 0.77783882 0.25051368 1\n C C14 1 0.88644757 0.87070394 0.56062664 1\n C C15 1 1.10392209 0.43459744 0.55267151 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.11133000\n_cell_length_b 2.43069000\n_cell_length_c 6.26880000\n_cell_angle_alpha 90.15148000\n_cell_angle_beta 78.53069000\n_cell_angle_gamma 113.40649000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.48492969\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31922113 0.34142095 0.71344039 1\n C C1 1 0.20592800 0.78494779 0.82413512 1\n C C2 1 0.65238973 0.00799403 0.38008988 1\n C C3 1 -0.01324697 0.67520926 0.04685601 1\n C C4 1 -0.12724060 0.11837471 0.15748564 1\n C C5 1 0.53839610 0.45115947 0.49071950 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67608000\n_cell_length_b 3.40099000\n_cell_length_c 4.66252000\n_cell_angle_alpha 121.85966000\n_cell_angle_beta 103.81748000\n_cell_angle_gamma 96.16760000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.65377657\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39255558 0.69152893 0.49631682 1\n C C1 1 0.55335803 0.69109355 0.78502070 1\n C C2 1 0.08026444 0.69111082 0.50099575 1\n C C3 1 0.07479830 0.69104469 0.81126969 1\n C C4 1 0.52603155 0.69053938 0.26130917 1\n C C5 1 0.83841961 0.69061638 0.25660480 1\n C C6 1 0.84386420 0.68989935 -0.05381776 1\n C C7 1 0.36539868 0.69041749 0.97239782 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48717000\n_cell_length_b 2.48730000\n_cell_length_c 6.57622000\n_cell_angle_alpha 79.08388000\n_cell_angle_beta 79.10259000\n_cell_angle_gamma 120.02734000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60090342\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67994701 0.41779163 0.57887556 1\n C C1 1 0.76249160 0.16769053 0.16269581 1\n C C2 1 1.01209540 0.41732675 -0.08735650 1\n C C3 1 0.42888057 0.16733822 0.82915299 1\n C C4 1 0.34651004 0.41820211 0.24543824 1\n C C5 1 1.09683468 0.16786955 0.49547011 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48012000\n_cell_length_b 2.48013000\n_cell_length_c 9.23778000\n_cell_angle_alpha 66.25454000\n_cell_angle_beta 90.00349000\n_cell_angle_gamma 120.02604000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.55248222\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67141572 0.15662096 0.83366052 1\n C C1 1 0.27508422 0.36450358 0.89636344 1\n C C2 1 0.08931048 0.99328996 0.08204231 1\n C C3 1 0.50517190 0.82341177 0.33365496 1\n C C4 1 0.77621283 0.36580474 0.39622115 1\n C C5 1 0.69318006 0.20131739 0.14477678 1\n C C6 1 0.59053644 0.99304179 0.58236942 1\n C C7 1 -0.13869824 0.53488880 0.64490021 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47349000\n_cell_length_b 4.11807000\n_cell_length_c 5.94154000\n_cell_angle_alpha 133.90541000\n_cell_angle_beta 90.00278000\n_cell_angle_gamma 90.00368000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60419077\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79991427 0.18843288 0.57104422 1\n C C1 1 0.30006100 0.68843288 0.07104422 1\n C C2 1 0.29990591 0.22957042 0.73759902 1\n C C3 1 0.80006936 0.72957042 0.23759902 1\n C C4 1 0.79987712 0.35515077 0.23752836 1\n C C5 1 0.29987646 1.06300234 1.07086790 1\n C C6 1 0.30009815 0.85515077 0.73752836 1\n C C7 1 0.80009881 0.56300234 0.57086790 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48519000\n_cell_length_b 4.67993000\n_cell_length_c 4.78057000\n_cell_angle_alpha 92.24152000\n_cell_angle_beta 121.34920000\n_cell_angle_gamma 74.62827000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45412778\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72925464 0.22009651 0.89969953 1\n C C1 1 0.87785858 -0.01077143 0.43220924 1\n C C2 1 0.39319768 0.53364785 0.71996787 1\n C C3 1 -0.02115166 0.64863138 0.36409964 1\n C C4 1 0.35225055 0.56269899 0.19445868 1\n C C5 1 -0.05949407 0.67821410 0.83897171 1\n C C6 1 0.60287275 0.99167873 0.65818843 1\n C C7 1 0.45468444 0.22208726 1.12608000 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.67648000\n_cell_length_b 4.81764000\n_cell_length_c 4.28316000\n_cell_angle_alpha 105.36881000\n_cell_angle_beta 122.25743000\n_cell_angle_gamma 95.30983000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.14016488\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01142627 0.28726476 0.88298411 1\n C C1 1 0.35624109 0.97976360 0.22963623 1\n C C2 1 0.39621136 0.28774283 0.26689525 1\n C C3 1 0.95403949 0.78882247 0.82619784 1\n C C4 1 -0.25877344 0.98033673 0.61341135 1\n C C5 1 0.79812764 0.47894261 0.67048142 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54322000\n_cell_length_b 4.22942000\n_cell_length_c 5.57091000\n_cell_angle_alpha 89.99526000\n_cell_angle_beta 90.00854000\n_cell_angle_gamma 89.93528000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.92259379\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21014677 0.41712537 0.59151538 1\n C C1 1 0.21006120 1.05374471 0.59168394 1\n C C2 1 0.70968088 0.41876625 0.74627870 1\n C C3 1 0.21142527 -0.10791504 0.36205699 1\n C C4 1 0.70970325 0.05281948 0.74647941 1\n C C5 1 0.21065814 0.57854867 0.36198766 1\n C C6 1 0.70984139 0.91720041 -0.00750278 1\n C C7 1 -0.29085078 0.55451211 0.99231478 1\n C C8 1 0.20997667 0.42166376 0.12435995 1\n C C9 1 0.21061601 0.04997028 0.12453618 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28321000\n_cell_length_b 4.63916000\n_cell_length_c 5.61585000\n_cell_angle_alpha 110.51718000\n_cell_angle_beta 107.00235000\n_cell_angle_gamma 89.79833000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.14047585\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01595099 0.06844883 0.86030146 1\n C C1 1 0.31345477 -0.10741931 0.74827526 1\n C C2 1 0.83299181 0.57112513 -0.09172344 1\n C C3 1 0.73577192 0.89271307 0.97510194 1\n C C4 1 0.55980631 0.87076677 0.36619688 1\n C C5 1 0.76706021 0.37323381 0.41617435 1\n C C6 1 0.56745156 0.06152333 0.63747092 1\n C C7 1 -0.28718666 1.03315215 0.24829440 1\n C C8 1 0.09964316 0.40736292 1.02733147 1\n C C9 1 0.40027702 0.54964644 0.30036746 1\n C C10 1 0.20645819 0.55165913 0.52855157 1\n C C11 1 0.57070151 0.38219193 0.63877553 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45726000\n_cell_length_b 2.53150000\n_cell_length_c 6.83956000\n_cell_angle_alpha 83.05868000\n_cell_angle_beta 69.41913000\n_cell_angle_gamma 91.04843000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.45384827\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23258799 0.16921502 0.55168378 1\n C C1 1 0.07076798 0.33664483 0.21432355 1\n C C2 1 0.46545035 0.27193675 0.32081229 1\n C C3 1 0.89597561 0.53429015 0.88666004 1\n C C4 1 0.12761463 0.63409862 0.65569022 1\n C C5 1 0.29122274 0.47127672 -0.00698289 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.13655000\n_cell_length_b 4.55232000\n_cell_length_c 5.71897000\n_cell_angle_alpha 111.63760000\n_cell_angle_beta 77.87276000\n_cell_angle_gamma 105.72311000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.50862323\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10295744 0.17635565 0.76185476 1\n C C1 1 1.00525298 0.47191780 0.86869026 1\n C C2 1 0.55061774 0.16328151 0.32139615 1\n C C3 1 0.56289956 0.48538931 0.30997484 1\n C C4 1 0.35244295 0.03927604 0.52028339 1\n C C5 1 0.76038905 0.60941983 0.11129037 1\n C C6 1 0.12666896 0.68640267 0.73810323 1\n C C7 1 0.35984708 0.71743228 0.50847251 1\n C C8 1 -0.02594958 0.95968044 0.89073450 1\n C C9 1 0.75185220 0.93134737 1.12267310 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.35872000\n_cell_length_b 3.66993000\n_cell_length_c 4.78566000\n_cell_angle_alpha 110.21985000\n_cell_angle_beta 88.71696000\n_cell_angle_gamma 91.66401000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.79817282\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69653960 0.29453139 1.01793622 1\n C C1 1 0.54194837 0.67801880 0.19337669 1\n C C2 1 0.72009734 0.04223939 0.21044295 1\n C C3 1 0.23573236 0.67403482 0.68734516 1\n C C4 1 0.56025186 0.12266625 0.71715081 1\n C C5 1 1.05487888 0.32578649 1.01541106 1\n C C6 1 0.06365553 0.30202735 0.53672840 1\n C C7 1 0.19199142 0.09311912 0.72470379 1\n C C8 1 1.07237062 0.07552222 0.20708095 1\n C C9 1 0.23361096 0.70100194 1.05112150 1\n C C10 1 0.54479415 0.68313883 0.53626074 1\n C C11 1 0.71322843 0.32532891 0.52898634 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48160000\n_cell_length_b 3.68991000\n_cell_length_c 4.84324000\n_cell_angle_alpha 57.39257000\n_cell_angle_beta 104.82207000\n_cell_angle_gamma 109.65390000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02654149\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46203208 0.37529158 0.14162080 1\n C C1 1 0.92007664 0.79262748 0.63743374 1\n C C2 1 0.34186896 0.50496559 0.76845478 1\n C C3 1 0.88348494 1.08774520 0.27234246 1\n C C4 1 0.66010278 0.84890806 0.06549130 1\n C C5 1 0.14063442 1.03143830 0.84390712 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.74573000\n_cell_length_b 4.66164000\n_cell_length_c 6.02070000\n_cell_angle_alpha 57.96040000\n_cell_angle_beta 71.43175000\n_cell_angle_gamma 97.80265000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.29975481\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49136694 0.42107497 0.72217441 1\n C C1 1 0.78116089 0.55032259 0.43189562 1\n C C2 1 0.25834782 0.05353249 0.95400254 1\n C C3 1 -0.05666161 0.42128112 0.27064314 1\n C C4 1 -0.03113870 -0.07488061 0.24433229 1\n C C5 1 0.80748309 0.05374800 0.40608765 1\n C C6 1 0.49425106 0.73724106 0.71708179 1\n C C7 1 0.25530751 0.73721968 -0.04033564 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.43762000\n_cell_length_b 4.83673000\n_cell_length_c 4.69383000\n_cell_angle_alpha 75.80358000\n_cell_angle_beta 57.53589000\n_cell_angle_gamma 45.24762000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.86684003\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12601490 0.38848464 -0.12508348 1\n C C1 1 0.59985252 0.75532647 0.14309968 1\n C C2 1 0.05386439 0.18114339 0.73572247 1\n C C3 1 0.67829512 0.20234317 0.06475999 1\n C C4 1 0.84864199 0.39816843 0.50128567 1\n C C5 1 0.33118044 0.17142028 0.10931532 1\n C C6 1 0.83402460 0.95436420 0.33315208 1\n C C7 1 0.34594631 0.61476058 0.27731224 1\n C C8 1 0.50163888 0.36705077 0.54581814 1\n C C9 1 0.57972565 0.81428007 0.46768400 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46630000\n_cell_length_b 5.68552000\n_cell_length_c 6.34868000\n_cell_angle_alpha 113.07369000\n_cell_angle_beta 101.18869000\n_cell_angle_gamma 64.36626000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.80774817\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11971174 0.76657477 0.82352303 1\n C C1 1 0.08870107 0.66351582 0.03110177 1\n C C2 1 1.21503761 0.91008965 0.77976465 1\n C C3 1 0.30406803 0.35909182 0.85734187 1\n C C4 1 0.99405649 0.32183123 0.16550893 1\n C C5 1 0.13956071 0.86024185 0.52646234 1\n C C6 1 0.10789785 0.45246888 0.64829817 1\n C C7 1 0.59858247 0.39341026 0.51166323 1\n C C8 1 0.62785184 0.69427973 0.17105908 1\n C C9 1 -0.03472536 0.22243076 0.90759335 1\n C C10 1 0.56541267 0.30757700 0.27981967 1\n C C11 1 0.60556126 0.83807124 0.41230640 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46313000\n_cell_length_b 5.08312000\n_cell_length_c 7.04055000\n_cell_angle_alpha 106.14474000\n_cell_angle_beta 100.09636000\n_cell_angle_gamma 90.00693000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.25134847\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91968689 0.83147396 0.50518910 1\n C C1 1 0.87818252 0.29434889 0.42717325 1\n C C2 1 0.46802939 0.89184781 0.60358204 1\n C C3 1 0.22299665 0.32594644 0.11876035 1\n C C4 1 -0.02205930 0.37701185 0.62679520 1\n C C5 1 0.31717409 0.21698444 0.30590525 1\n C C6 1 0.63476158 0.62253164 0.94082472 1\n C C7 1 0.72421994 0.49721561 0.12092629 1\n C C8 1 0.80738323 0.77137313 0.28235708 1\n C C9 1 0.27739798 0.90146233 0.22048950 1\n C C10 1 0.15883372 0.80782642 -0.01196308 1\n C C11 1 0.56548974 1.09458374 0.80197307 1\n C C12 1 0.12685339 0.07734510 0.92408114 1\n C C13 1 0.53761719 0.38724564 0.74484889 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45658000\n_cell_length_b 3.66386000\n_cell_length_c 6.47934000\n_cell_angle_alpha 100.03400000\n_cell_angle_beta 100.91415000\n_cell_angle_gamma 109.61225000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.12787724\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.16095189 0.41406441 -0.01170346 1\n C C1 1 0.33239482 0.33513402 0.41090232 1\n C C2 1 -0.13086194 0.49459474 0.32418917 1\n C C3 1 0.04172129 0.89156548 0.27185596 1\n C C4 1 0.45272052 0.85843750 0.12647647 1\n C C5 1 1.02290744 0.37340709 0.75189056 1\n C C6 1 0.46714587 0.36865921 0.64636338 1\n C C7 1 0.62543592 0.25577453 1.07563020 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.08999000\n_cell_length_b 4.60481000\n_cell_length_c 4.69102000\n_cell_angle_alpha 87.36403000\n_cell_angle_beta 105.98048000\n_cell_angle_gamma 117.43015000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.69784474\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94020946 0.28989692 0.61277613 1\n C C1 1 0.60869281 0.95613928 0.61181733 1\n C C2 1 0.69049897 0.78979832 0.86256530 1\n C C3 1 1.10656010 0.95647331 0.11224446 1\n C C4 1 0.43827200 0.29013720 0.11306185 1\n C C5 1 0.35875775 0.45618098 0.86174460 1\n C C6 1 -0.14380214 0.45648771 0.36239527 1\n C C7 1 0.18791404 0.79022558 0.36329446 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48446000\n_cell_length_b 3.82218000\n_cell_length_c 5.22527000\n_cell_angle_alpha 98.78107000\n_cell_angle_beta 89.93705000\n_cell_angle_gamma 108.95110000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31738054\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89789955 0.52530315 0.31056159 1\n C C1 1 0.15126709 1.02769313 1.08953630 1\n C C2 1 0.35241212 0.43125299 0.14578259 1\n C C3 1 0.60580720 0.93379416 -0.07537983 1\n C C4 1 0.39009043 0.50586451 0.86629894 1\n C C5 1 0.11353785 -0.04630020 0.36900702 1\n C C6 1 0.72358196 0.17572896 0.47403299 1\n C C7 1 0.77981330 0.28346451 0.76092089 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47136000\n_cell_length_b 5.26724000\n_cell_length_c 6.62851000\n_cell_angle_alpha 72.17050000\n_cell_angle_beta 79.17123000\n_cell_angle_gamma 90.01827000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.52363571\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89100118 0.37281208 0.37357326 1\n C C1 1 0.18662249 0.57746938 0.79399326 1\n C C2 1 0.15912888 0.07840480 0.84690170 1\n C C3 1 0.52900363 0.21922900 0.10780575 1\n C C4 1 0.32101520 0.31039762 0.50986166 1\n C C5 1 0.60999145 0.54305920 0.94807663 1\n C C6 1 0.21930389 0.35558500 0.71845365 1\n C C7 1 0.95690088 0.16881598 0.24889793 1\n C C8 1 0.95672450 0.66522467 0.24902420 1\n C C9 1 0.52930881 0.72322255 0.10699176 1\n C C10 1 0.87592627 0.84362889 0.40924855 1\n C C11 1 0.29905988 0.80955584 0.56319957 1\n C C12 1 0.59070668 0.01602509 -0.01731634 1\n C C13 1 0.26263254 0.03229071 0.63820884 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35972000\n_cell_length_b 5.99020000\n_cell_length_c 4.84639000\n_cell_angle_alpha 113.97888000\n_cell_angle_beta 98.22760000\n_cell_angle_gamma 116.95681000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.73649514\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.15722399 0.27169805 0.52470201 1\n C C1 1 0.16470774 0.78889664 0.28605986 1\n C C2 1 1.15956518 0.27329146 0.00731122 1\n C C3 1 0.16438415 0.67777348 0.96956905 1\n C C4 1 1.16234131 1.03182625 0.79582682 1\n C C5 1 1.16054040 1.02999749 0.49738290 1\n C C6 1 0.16747168 0.64226025 0.45348178 1\n C C7 1 0.15742905 0.42013866 0.83985174 1\n C C8 1 0.16056133 0.38452500 0.32384741 1\n C C9 1 0.16721768 -0.20951418 -0.23150258 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42354000\n_cell_length_b 5.65965000\n_cell_length_c 4.17762000\n_cell_angle_alpha 47.26876000\n_cell_angle_beta 89.74396000\n_cell_angle_gamma 89.62560000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.08987852\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08413060 0.81343096 0.99733134 1\n C C1 1 0.58432403 0.84999401 0.80807681 1\n C C2 1 0.58398412 0.25496852 -0.00102888 1\n C C3 1 0.08479798 0.75221691 0.40317793 1\n C C4 1 0.58313005 0.90901013 0.40328295 1\n C C5 1 1.08389371 0.40726827 0.80908765 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50244000\n_cell_length_b 3.29979000\n_cell_length_c 7.44894000\n_cell_angle_alpha 60.32656000\n_cell_angle_beta 72.32793000\n_cell_angle_gamma 67.83440000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.96974321\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26491946 0.65516667 0.37311776 1\n C C1 1 0.36836922 0.13906376 0.53112912 1\n C C2 1 0.96056013 0.13308859 0.89581394 1\n C C3 1 0.62551706 0.93856329 0.37323940 1\n C C4 1 0.21770797 0.93258812 0.73792421 1\n C C5 1 0.32115773 0.41648521 0.89593557 1\n C C6 1 0.51709596 0.46999687 0.20000665 1\n C C7 1 1.06898123 0.60165501 0.06904669 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44092000\n_cell_length_b 4.21511000\n_cell_length_c 11.31702000\n_cell_angle_alpha 108.44073000\n_cell_angle_beta 96.30572000\n_cell_angle_gamma 89.95770000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 109.71932421\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20205457 0.06711338 0.61357297 1\n C C1 1 0.55296240 0.06707895 0.36467156 1\n C C2 1 0.36243263 0.68662088 0.95858749 1\n C C3 1 -0.04206230 0.42417197 0.16779286 1\n C C4 1 0.70368233 0.91521594 0.62096589 1\n C C5 1 0.56109227 0.74732476 0.39193291 1\n C C6 1 0.48024668 -0.02950766 0.21518954 1\n C C7 1 0.29808749 0.64699223 0.82817564 1\n C C8 1 0.95338746 0.76744863 0.15858712 1\n C C9 1 0.88758731 0.70974446 0.02110894 1\n C C10 1 0.70418102 0.57014982 0.62875124 1\n C C11 1 0.17436581 0.36684603 0.57180344 1\n C C12 1 0.77262849 0.62618328 0.76625202 1\n C C13 1 0.06286310 0.59358341 0.39707358 1\n C C14 1 0.45924709 0.27229904 0.17513980 1\n C C15 1 0.08328987 0.27089690 0.42199749 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.65891000\n_cell_length_b 3.46143000\n_cell_length_c 4.26412000\n_cell_angle_alpha 88.05183000\n_cell_angle_beta 105.77581000\n_cell_angle_gamma 117.08554000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.59306952\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19905088 0.27923869 0.83804611 1\n C C1 1 0.63526906 0.18789412 0.35880974 1\n C C2 1 0.87363363 -0.05025572 0.83508287 1\n C C3 1 0.57721280 0.90207866 0.59326690 1\n C C4 1 0.81577298 0.66089456 0.06735704 1\n C C5 1 -0.03671724 0.51540468 0.35853434 1\n C C6 1 0.25184125 0.57187140 0.59009786 1\n C C7 1 0.48780845 0.33367611 0.06782214 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48723000\n_cell_length_b 2.48757000\n_cell_length_c 6.08847000\n_cell_angle_alpha 89.99980000\n_cell_angle_beta 89.99651000\n_cell_angle_gamma 120.03824000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61088482\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16675443 0.68816289 0.68567360 1\n C C1 1 0.50000601 0.35460278 0.35234128 1\n C C2 1 -0.16522581 0.02218102 1.01901992 1\n C C3 1 0.83341764 0.02130199 0.26948813 1\n C C4 1 0.49990747 0.35471152 0.60281353 1\n C C5 1 0.16804746 0.68881930 0.93616165 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55664000\n_cell_length_b 4.61489000\n_cell_length_c 4.57660000\n_cell_angle_alpha 103.78890000\n_cell_angle_beta 90.35643000\n_cell_angle_gamma 106.70575000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.06561305\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18657891 0.11939263 0.48421930 1\n C C1 1 0.35428343 0.45191070 0.63124345 1\n C C2 1 0.36347163 0.47275455 0.14936675 1\n C C3 1 0.44198292 0.63865031 0.44071022 1\n C C4 1 0.60922631 0.97104499 0.58670519 1\n C C5 1 0.60719466 0.96703320 0.94799579 1\n C C6 1 0.43355430 0.61843991 0.92250321 1\n C C7 1 0.18887893 0.12423520 0.12236389 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.13683000\n_cell_length_b 4.23183000\n_cell_length_c 4.39432000\n_cell_angle_alpha 87.99836000\n_cell_angle_beta 68.99525000\n_cell_angle_gamma 91.36247000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.71854866\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95257124 0.61064597 0.74031478 1\n C C1 1 0.65620049 0.60982774 1.03663148 1\n C C2 1 0.12703582 0.96646212 0.21197780 1\n C C3 1 0.68593200 0.36887924 0.25114750 1\n C C4 1 0.60662132 0.99816776 0.69181556 1\n C C5 1 0.48137855 0.25607611 0.56707443 1\n C C6 1 0.43985074 0.85184093 1.00871005 1\n C C7 1 1.00258909 0.22426737 1.08741787 1\n C C8 1 0.92204424 0.85242233 0.52704270 1\n C C9 1 0.16850952 0.36951932 0.77027543 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.59703000\n_cell_length_b 3.62924000\n_cell_length_c 5.52613000\n_cell_angle_alpha 112.88324000\n_cell_angle_beta 121.80289000\n_cell_angle_gamma 87.04620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.78916030\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45699359 0.86170854 0.91008767 1\n C C1 1 0.74746945 0.91447802 0.24102951 1\n C C2 1 0.84129779 1.02348037 0.72025912 1\n C C3 1 0.21831404 0.44360650 0.68500641 1\n C C4 1 0.30006219 0.27540206 0.42251601 1\n C C5 1 0.29023784 0.52343825 0.22085673 1\n C C6 1 0.06153575 -0.14254990 0.19685485 1\n C C7 1 0.83680342 0.36387415 0.46704014 1\n C C8 1 0.68166412 0.35557198 0.64017899 1\n C C9 1 0.77096083 0.80490775 0.86600301 1\n C C10 1 0.22813619 0.19571000 0.88628890 1\n C C11 1 0.67714208 0.69625508 0.38725357 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51077000\n_cell_length_b 4.80471000\n_cell_length_c 4.93436000\n_cell_angle_alpha 67.61946000\n_cell_angle_beta 59.37716000\n_cell_angle_gamma 89.98847000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.94023871\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15452706 0.97226356 0.05486204 1\n C C1 1 0.41105058 0.48814697 0.29752520 1\n C C2 1 0.81311681 0.29214862 0.39534626 1\n C C3 1 0.77882874 0.48857770 0.92989823 1\n C C4 1 0.18118724 0.29257657 0.02755692 1\n C C5 1 0.43954572 0.80907119 0.26982085 1\n C C6 1 0.07235786 0.80896783 0.63673250 1\n C C7 1 0.52096067 0.97235326 0.68812190 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.13349000\n_cell_length_b 3.08286000\n_cell_length_c 8.72827000\n_cell_angle_alpha 73.52188000\n_cell_angle_beta 79.79605000\n_cell_angle_gamma 46.06050000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.19645218\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03077427 0.01278175 0.96204762 1\n C C1 1 0.02910757 0.67779514 0.29525972 1\n C C2 1 0.53752020 0.93842219 0.54536689 1\n C C3 1 1.03579619 0.18595957 0.79536824 1\n C C4 1 0.03513209 0.51961950 0.46186466 1\n C C5 1 0.53727328 0.77139417 0.71215628 1\n C C6 1 0.52688759 0.25913278 0.21179291 1\n C C7 1 0.52888991 0.42696699 0.04523177 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48357000\n_cell_length_b 5.41618000\n_cell_length_c 4.32714000\n_cell_angle_alpha 60.65105000\n_cell_angle_beta 66.73540000\n_cell_angle_gamma 67.17732000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.21759594\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66872870 0.42512914 0.92684415 1\n C C1 1 0.58238983 0.70915795 0.59510826 1\n C C2 1 0.79233399 0.70910549 0.20568559 1\n C C3 1 -0.00982949 0.42512458 1.15798113 1\n C C4 1 0.11132120 0.18376030 0.77852034 1\n C C5 1 0.78874379 0.18387977 0.54771027 1\n C C6 1 0.98618540 0.90031455 0.49967978 1\n C C7 1 0.19705677 0.90013272 0.11013088 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35529000\n_cell_length_b 2.46165000\n_cell_length_c 5.27638000\n_cell_angle_alpha 89.82556000\n_cell_angle_beta 87.46464000\n_cell_angle_gamma 110.60839000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.74371198\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52825109 0.42444739 0.34974132 1\n C C1 1 0.71358076 1.01506711 0.22424094 1\n C C2 1 0.35009609 0.83231380 1.02549428 1\n C C3 1 0.45796897 0.38647085 0.62435959 1\n C C4 1 0.16503549 0.24197254 0.15158257 1\n C C5 1 0.41986080 0.86798301 0.75098320 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47742000\n_cell_length_b 2.55901000\n_cell_length_c 5.71822000\n_cell_angle_alpha 92.66467000\n_cell_angle_beta 77.49180000\n_cell_angle_gamma 89.90424000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.35077143\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.17740638 0.96056470 0.42786105 1\n C C1 1 0.86433726 1.01741717 1.05000465 1\n C C2 1 0.29143122 0.01758385 0.19467322 1\n C C3 1 0.52416585 0.47746418 0.73403858 1\n C C4 1 0.60490124 -0.04135198 0.57311460 1\n C C5 1 -0.05383576 0.49560449 0.88882750 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43142000\n_cell_length_b 4.20187000\n_cell_length_c 5.79169000\n_cell_angle_alpha 87.40016000\n_cell_angle_beta 77.07091000\n_cell_angle_gamma 90.02762000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.60795181\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20230369 0.77156846 0.65572898 1\n C C1 1 0.03322437 0.68809974 0.15519424 1\n C C2 1 0.70230369 0.27156846 0.65572898 1\n C C3 1 0.53309892 0.52065297 0.15600072 1\n C C4 1 0.03309892 0.02065297 0.15600072 1\n C C5 1 0.20253301 0.43902483 0.65470121 1\n C C6 1 0.70253301 0.93902483 0.65470121 1\n C C7 1 0.53322437 0.18809974 0.15519424 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47571000\n_cell_length_b 4.18394000\n_cell_length_c 5.39384000\n_cell_angle_alpha 112.84143000\n_cell_angle_beta 117.31699000\n_cell_angle_gamma 89.99682000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.65221921\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22619435 0.99333675 0.29702714 1\n C C1 1 0.23854783 0.74990768 0.80851993 1\n C C2 1 0.23940201 0.11980287 0.80891267 1\n C C3 1 0.58481252 0.17212840 0.65401210 1\n C C4 1 0.57145603 0.41694875 0.14236721 1\n C C5 1 0.58411855 0.54216444 0.65375874 1\n C C6 1 0.57124910 0.78580226 0.14196875 1\n C C7 1 0.22618791 0.36460285 0.29730755 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45209000\n_cell_length_b 3.49024000\n_cell_length_c 4.70798000\n_cell_angle_alpha 109.04693000\n_cell_angle_beta 103.19339000\n_cell_angle_gamma 104.94359000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.68080439\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91042117 0.35511229 0.42209519 1\n C C1 1 0.75759830 0.95879214 0.18670546 1\n C C2 1 0.33651920 0.64719960 0.13769204 1\n C C3 1 0.41315231 0.11595239 0.68576524 1\n C C4 1 0.25493892 0.19700737 -0.07686416 1\n C C5 1 0.67418465 0.48681437 0.63739694 1\n C C6 1 0.33165492 0.66578787 0.47135226 1\n C C7 1 -0.00622258 0.82579606 -0.02841986 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44554000\n_cell_length_b 5.65780000\n_cell_length_c 5.64059000\n_cell_angle_alpha 73.73880000\n_cell_angle_beta 56.66781000\n_cell_angle_gamma 62.43632000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.77067638\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25120092 0.99337936 0.58566355 1\n C C1 1 1.09117189 0.15528172 -0.01103891 1\n C C2 1 0.70223792 0.97638865 0.06712207 1\n C C3 1 0.50173100 0.16194866 0.65298180 1\n C C4 1 0.02241015 0.53769825 0.36342080 1\n C C5 1 0.15851980 0.79052931 0.82799585 1\n C C6 1 0.83851938 0.61619285 0.82460015 1\n C C7 1 0.63779066 0.42890236 0.07409517 1\n C C8 1 0.66773022 0.83832169 0.33124125 1\n C C9 1 0.36621395 0.45366214 0.54727776 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.03042000\n_cell_length_b 3.64102000\n_cell_length_c 4.37080000\n_cell_angle_alpha 77.02312000\n_cell_angle_beta 69.87436000\n_cell_angle_gamma 46.16105000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.43024174\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14288931 0.02899135 0.08799278 1\n C C1 1 0.64242903 1.09042110 0.58712552 1\n C C2 1 0.83956583 0.67980796 0.39743451 1\n C C3 1 1.13705979 0.65106922 1.08855550 1\n C C4 1 0.33396973 1.24066023 0.89866658 1\n C C5 1 0.83400331 0.30178624 0.39791172 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31659000\n_cell_length_b 4.67960000\n_cell_length_c 3.33607000\n_cell_angle_alpha 69.09832000\n_cell_angle_beta 90.01639000\n_cell_angle_gamma 89.74031000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.36903155\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83814194 0.12117834 0.48594180 1\n C C1 1 0.19050105 0.13499336 0.15550783 1\n C C2 1 0.35283934 0.45128399 -0.00297824 1\n C C3 1 0.13119662 0.96929355 0.85953132 1\n C C4 1 0.45767691 0.94748141 0.51889107 1\n C C5 1 0.08745882 0.63881747 0.17300068 1\n C C6 1 0.41284392 0.61700897 0.53530991 1\n C C7 1 0.70688960 0.46532701 0.31399043 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.49713000\n_cell_length_b 3.51415000\n_cell_length_c 3.32329000\n_cell_angle_alpha 89.96891000\n_cell_angle_beta 89.94751000\n_cell_angle_gamma 60.23768000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.45405631\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36362834 0.28291766 0.87521842 1\n C C1 1 0.05996404 0.58580394 0.20865773 1\n C C2 1 0.59586747 0.81960385 0.04035263 1\n C C3 1 1.05899255 0.28280144 0.54066758 1\n C C4 1 0.29105986 0.81930088 0.37531613 1\n C C5 1 0.59444804 0.51691503 0.70859831 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48764000\n_cell_length_b 4.30391000\n_cell_length_c 4.30484000\n_cell_angle_alpha 48.18666000\n_cell_angle_beta 73.20859000\n_cell_angle_gamma 73.21434000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.58705992\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22254012 0.60300992 1.09960646 1\n C C1 1 0.38920679 0.18622125 0.18306180 1\n C C2 1 0.55587345 0.26967659 0.76627313 1\n C C3 1 0.72254012 0.85288792 0.84972847 1\n C C4 1 0.88920679 0.93634326 0.43293979 1\n C C5 1 0.05587345 0.51955459 0.51639513 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45440000\n_cell_length_b 6.64921000\n_cell_length_c 10.09278000\n_cell_angle_alpha 111.01592000\n_cell_angle_beta 104.06256000\n_cell_angle_gamma 90.02447000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 148.44888106\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09576761 0.85518918 0.61865686 1\n C C1 1 0.81173292 0.30039058 0.33803729 1\n C C2 1 0.37890694 0.14725445 0.90446777 1\n C C3 1 0.97847856 0.44093312 0.50789824 1\n C C4 1 -0.18982225 0.06510445 0.83629374 1\n C C5 1 0.67868622 0.89371433 0.70165563 1\n C C6 1 0.29655246 0.60610395 0.82574703 1\n C C7 1 0.31245202 0.82019578 0.33998786 1\n C C8 1 0.10708643 0.33049082 0.12847320 1\n C C9 1 0.26388739 0.39047455 0.28817487 1\n C C10 1 0.95885541 0.65259037 0.48400602 1\n C C11 1 0.55880965 0.41529317 0.58908972 1\n C C12 1 0.03312611 0.07591454 0.56044648 1\n C C13 1 0.71940502 0.55588933 0.74940970 1\n C C14 1 1.02841013 0.79835753 0.05237640 1\n C C15 1 0.75869241 0.05579428 0.28205311 1\n C C16 1 0.45388347 0.73343438 -0.02138737 1\n C C17 1 0.53227245 0.28359043 1.05394274 1\n C C18 1 1.18574415 0.92797144 0.20869370 1\n C C19 1 0.56465839 0.19645265 0.59317025 1\n C C20 1 0.36386823 0.63168885 0.38840692 1\n C C21 1 0.86968589 0.95017329 0.39646385 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.18792000\n_cell_length_b 4.75299000\n_cell_length_c 6.59886000\n_cell_angle_alpha 90.01070000\n_cell_angle_beta 63.11065000\n_cell_angle_gamma 81.83417000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.03698968\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92522703 0.76276045 0.60862533 1\n C C1 1 -0.06986841 -0.00009614 0.48350379 1\n C C2 1 0.92740798 0.84666973 0.81421376 1\n C C3 1 -0.05931437 0.49762281 0.30055030 1\n C C4 1 0.93809224 0.26063161 0.17703125 1\n C C5 1 0.93388625 0.49904740 0.51501624 1\n C C6 1 0.92946714 0.23731977 0.60778318 1\n C C7 1 -0.07469927 0.15337197 0.81465507 1\n C C8 1 0.94257643 0.73526135 0.17616924 1\n C C9 1 0.93596115 0.34551271 0.97178627 1\n C C10 1 0.93624338 -0.00140599 0.26914851 1\n C C11 1 -0.06626575 0.65220263 0.97233375 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.77335000\n_cell_length_b 3.63862000\n_cell_length_c 5.09343000\n_cell_angle_alpha 67.63392000\n_cell_angle_beta 68.36148000\n_cell_angle_gamma 87.54079000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.89777264\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20669645 0.46583180 0.98396889 1\n C C1 1 0.51698893 0.61972285 0.67435350 1\n C C2 1 0.01620868 0.67939107 0.17484393 1\n C C3 1 0.70812057 0.02498249 0.48295793 1\n C C4 1 -0.29252330 0.40616359 0.48347846 1\n C C5 1 1.01556480 0.06057216 0.17536446 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68430000\n_cell_length_b 3.26710000\n_cell_length_c 5.72891000\n_cell_angle_alpha 124.79080000\n_cell_angle_beta 117.56563000\n_cell_angle_gamma 63.69329000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.65954465\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59030698 0.58922203 0.35346296 1\n C C1 1 0.39265732 0.77103462 0.59032614 1\n C C2 1 0.39241783 0.14176469 1.09026393 1\n C C3 1 0.26082482 0.33553609 0.71837139 1\n C C4 1 0.59000692 0.65236807 0.85346519 1\n C C5 1 0.06317516 0.51734868 0.95523457 1\n C C6 1 1.06347523 0.45420263 0.45523234 1\n C C7 1 0.26106431 0.96480602 0.21843360 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43051000\n_cell_length_b 3.88215000\n_cell_length_c 6.32738000\n_cell_angle_alpha 71.47904000\n_cell_angle_beta 90.03048000\n_cell_angle_gamma 89.95989000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.61047392\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59380345 0.08435197 0.27919331 1\n C C1 1 0.59368406 0.42107458 0.61122342 1\n C C2 1 0.09379394 0.66973600 0.86184728 1\n C C3 1 0.59380216 0.58353029 0.77962469 1\n C C4 1 0.59382525 -0.07978502 0.11159437 1\n C C5 1 1.09377150 0.83303620 0.02986295 1\n C C6 1 1.09377817 0.17126724 0.36109159 1\n C C7 1 0.09363288 0.33487874 0.52895759 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28844000\n_cell_length_b 2.47336000\n_cell_length_c 6.08321000\n_cell_angle_alpha 90.00029000\n_cell_angle_beta 89.98567000\n_cell_angle_gamma 112.13241000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.83202628\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41246208 0.90453048 0.33242810 1\n C C1 1 0.13499032 0.26648399 0.33236159 1\n C C2 1 0.41246208 0.40453048 0.83242810 1\n C C3 1 0.77423025 1.08513975 1.15200299 1\n C C4 1 0.77411460 0.58508448 0.01304552 1\n C C5 1 0.77423025 0.58513975 0.65200299 1\n C C6 1 0.13499032 0.76648399 0.83236159 1\n C C7 1 0.77411460 1.08508448 0.51304552 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43074000\n_cell_length_b 4.85844000\n_cell_length_c 5.63085000\n_cell_angle_alpha 87.17578000\n_cell_angle_beta 90.97160000\n_cell_angle_gamma 120.17206000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.41677344\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01046642 0.14364683 0.87268864 1\n C C1 1 0.30934095 0.93474524 0.37640606 1\n C C2 1 0.30937646 0.43473905 0.37641478 1\n C C3 1 0.97584080 0.10178688 0.37650828 1\n C C4 1 0.67698223 0.81070952 0.87265455 1\n C C5 1 0.97589547 0.60178564 0.37650173 1\n C C6 1 0.01042377 0.64365476 0.87266166 1\n C C7 1 0.67703620 0.31070138 0.87265190 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48515000\n_cell_length_b 2.43799000\n_cell_length_c 9.79459000\n_cell_angle_alpha 82.82981000\n_cell_angle_beta 95.06390000\n_cell_angle_gamma 69.53264000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.57595418\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41354323 0.75135984 0.73929906 1\n C C1 1 0.47150432 0.64663892 0.89147928 1\n C C2 1 0.51685596 0.01389545 0.11509539 1\n C C3 1 0.92469451 -0.34530911 0.41690509 1\n C C4 1 -0.12157131 0.40232112 -0.02713518 1\n C C5 1 0.19324232 0.12395719 0.21414613 1\n C C6 1 0.23283445 0.55826732 0.30379967 1\n C C7 1 0.78587045 0.37730768 0.11760762 1\n C C8 1 0.32150963 0.40617660 0.51800176 1\n C C9 1 0.29926799 0.20085862 0.95801096 1\n C C10 1 0.38389414 0.30090862 0.66883626 1\n C C11 1 0.63420482 0.30053866 0.41702826 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48131000\n_cell_length_b 4.21759000\n_cell_length_c 3.68834000\n_cell_angle_alpha 104.88808000\n_cell_angle_beta 109.63564000\n_cell_angle_gamma 89.96103000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97808336\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.16650654 0.88142779 0.73119825 1\n C C1 1 0.42648062 0.45261386 0.24576464 1\n C C2 1 0.74395124 0.75029193 0.88711369 1\n C C3 1 0.20270678 0.24621054 0.80033418 1\n C C4 1 0.62385316 0.37671720 0.64289893 1\n C C5 1 0.94631346 0.67506689 0.28537181 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35639000\n_cell_length_b 3.91590000\n_cell_length_c 4.37461000\n_cell_angle_alpha 128.26994000\n_cell_angle_beta 104.19961000\n_cell_angle_gamma 82.45608000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.74549877\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10631840 0.40969513 0.11912969 1\n C C1 1 0.29853043 1.00418221 0.90640195 1\n C C2 1 0.79835785 0.56410377 0.96568813 1\n C C3 1 0.60554037 0.96928574 0.17839519 1\n C C4 1 0.29862817 0.62288091 0.52585947 1\n C C5 1 0.60497247 0.34994923 0.55920277 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42932000\n_cell_length_b 3.11349000\n_cell_length_c 6.81932000\n_cell_angle_alpha 58.71096000\n_cell_angle_beta 75.51346000\n_cell_angle_gamma 85.50409000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.59307102\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41660770 0.04304680 0.77142074 1\n C C1 1 0.52852382 0.48739879 0.54940595 1\n C C2 1 -0.13882802 0.82187421 0.88350687 1\n C C3 1 0.74946561 0.37731575 0.10542889 1\n C C4 1 0.08356049 0.70897016 0.43791075 1\n C C5 1 0.19438770 0.15603439 0.21698600 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42836000\n_cell_length_b 5.60420000\n_cell_length_c 4.68311000\n_cell_angle_alpha 113.99569000\n_cell_angle_beta 103.27433000\n_cell_angle_gamma 92.93736000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.91426030\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03909137 0.53728225 0.37147447 1\n C C1 1 0.28897576 0.28588017 0.87172670 1\n C C2 1 0.70639805 0.20182793 0.70559498 1\n C C3 1 -0.04369719 0.95140723 0.20559547 1\n C C4 1 0.20645214 0.70300134 0.70530377 1\n C C5 1 0.53889162 0.03607837 0.37160981 1\n C C6 1 0.78905502 0.78767432 0.87135382 1\n C C7 1 0.45650332 0.45320401 0.20533478 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48531000\n_cell_length_b 4.67947000\n_cell_length_c 4.78120000\n_cell_angle_alpha 92.26722000\n_cell_angle_beta 58.66808000\n_cell_angle_gamma 105.41902000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45652294\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69318368 0.96964131 0.14899443 1\n C C1 1 1.03065108 0.28318988 0.96908495 1\n C C2 1 0.54575225 0.73911860 0.68145274 1\n C C3 1 0.48424457 0.42797803 0.08796310 1\n C C4 1 -0.17878960 0.74151816 0.90722436 1\n C C5 1 0.44462004 0.39826679 0.61325611 1\n C C6 1 0.96791285 -0.02829970 0.37511970 1\n C C7 1 0.07137443 0.31256332 0.44341171 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45185000\n_cell_length_b 5.90030000\n_cell_length_c 4.59173000\n_cell_angle_alpha 78.43570000\n_cell_angle_beta 74.52438000\n_cell_angle_gamma 65.37270000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.89234900\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08354660 0.28178613 0.72377893 1\n C C1 1 0.95283839 0.62326162 0.96800091 1\n C C2 1 0.88736068 0.53011203 0.28026963 1\n C C3 1 0.04259604 1.04517181 0.94358366 1\n C C4 1 -0.07169346 0.87496614 0.51436956 1\n C C5 1 0.24076354 0.44817950 0.74062117 1\n C C6 1 1.12440261 0.24809300 0.37295799 1\n C C7 1 0.21981795 0.61574929 0.44480185 1\n C C8 1 -0.18584791 0.10145293 0.28749188 1\n C C9 1 0.73974287 0.89394735 0.85313692 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.12428000\n_cell_length_b 4.32531000\n_cell_length_c 5.61716000\n_cell_angle_alpha 78.06745000\n_cell_angle_beta 88.56204000\n_cell_angle_gamma 67.40202000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 90.34708520\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70048463 0.56267112 0.35202980 1\n C C1 1 -0.06044568 0.51235981 0.54291657 1\n C C2 1 -0.19405618 0.76929595 0.67458661 1\n C C3 1 0.40439751 0.87139049 0.36527190 1\n C C4 1 0.96137608 0.95471551 1.01140936 1\n C C5 1 0.34081442 0.41046677 -0.14826269 1\n C C6 1 0.64447673 0.25652058 0.00062304 1\n C C7 1 0.47777662 -0.00316911 0.56802401 1\n C C8 1 0.78351878 0.32686893 1.20626605 1\n C C9 1 1.10034240 1.02576345 0.21644321 1\n C C10 1 0.26802578 0.28436942 0.64957364 1\n C C11 1 0.04433151 0.71894037 0.86582489 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42626000\n_cell_length_b 4.22434000\n_cell_length_c 4.22455000\n_cell_angle_alpha 88.59639000\n_cell_angle_beta 90.00489000\n_cell_angle_gamma 89.98626000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.28588626\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41200021 0.21348536 0.82898440 1\n C C1 1 0.90900383 0.77836068 0.39478908 1\n C C2 1 -0.08799489 0.36970481 0.80448154 1\n C C3 1 0.91066547 0.71858094 0.74345878 1\n C C4 1 0.40899269 0.80438732 0.23826495 1\n C C5 1 0.41062039 0.86445989 0.88974835 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46850000\n_cell_length_b 3.37058000\n_cell_length_c 7.02873000\n_cell_angle_alpha 125.58387000\n_cell_angle_beta 121.67169000\n_cell_angle_gamma 68.64079000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.33157549\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77532920 0.93540542 0.86999524 1\n C C1 1 0.40584248 0.10643505 0.34807493 1\n C C2 1 0.17201850 0.75340634 0.07400244 1\n C C3 1 0.23607786 0.63842998 0.74513807 1\n C C4 1 0.00255585 0.28349119 0.47116275 1\n C C5 1 0.63300061 0.45647513 -0.05072704 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44049000\n_cell_length_b 4.57022000\n_cell_length_c 5.88350000\n_cell_angle_alpha 108.59188000\n_cell_angle_beta 78.02333000\n_cell_angle_gamma 105.46360000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.40444659\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35500922 0.64222619 0.52015298 1\n C C1 1 0.16545948 0.39275146 0.65028772 1\n C C2 1 0.49049417 0.64725619 0.25336166 1\n C C3 1 0.28397533 0.00156489 0.02564827 1\n C C4 1 0.89790131 0.83483744 0.62429195 1\n C C5 1 0.77772654 0.84837448 0.88440698 1\n C C6 1 1.08014162 0.07683429 0.50231974 1\n C C7 1 0.10744384 0.87450899 0.24987164 1\n C C8 1 0.62106098 0.47613435 0.82469089 1\n C C9 1 0.45243430 0.35970412 0.04575827 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47286000\n_cell_length_b 4.60464000\n_cell_length_c 5.96707000\n_cell_angle_alpha 82.21421000\n_cell_angle_beta 78.02936000\n_cell_angle_gamma 57.55035000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.06523655\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77866959 0.32798292 0.49421737 1\n C C1 1 -0.24673862 0.78966534 0.62262886 1\n C C2 1 0.59249862 0.61160761 0.29792387 1\n C C3 1 0.80230098 0.52436700 0.05307083 1\n C C4 1 0.48507154 0.12173085 0.49260998 1\n C C5 1 0.41156860 0.59820806 0.68902937 1\n C C6 1 0.36602175 0.51800705 -0.06047447 1\n C C7 1 0.87222184 0.80058428 0.36073589 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42878000\n_cell_length_b 5.44435000\n_cell_length_c 5.36352000\n_cell_angle_alpha 72.76990000\n_cell_angle_beta 90.15407000\n_cell_angle_gamma 79.32182000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.44133881\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60042172 0.74850503 0.11067601 1\n C C1 1 1.11759796 0.70580301 0.24548226 1\n C C2 1 0.16245657 0.58334918 0.53429700 1\n C C3 1 0.31167064 0.21747055 0.30198590 1\n C C4 1 0.78617183 0.28070789 0.89674269 1\n C C5 1 0.73621060 0.40221654 0.60853482 1\n C C6 1 0.80696593 0.23095555 0.42872361 1\n C C7 1 0.58837286 0.76882777 0.84018177 1\n C C8 1 0.09239604 0.75613054 0.71313621 1\n C C9 1 0.30219165 0.23996114 1.03099734 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47160000\n_cell_length_b 4.70286000\n_cell_length_c 7.92906000\n_cell_angle_alpha 101.50121000\n_cell_angle_beta 108.20190000\n_cell_angle_gamma 74.79467000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.79092521\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03214249 0.98211672 0.80877909 1\n C C1 1 1.04033951 0.72881373 0.69069380 1\n C C2 1 0.38576556 0.57021589 -0.04230469 1\n C C3 1 0.26117517 0.44709382 0.76968910 1\n C C4 1 0.60282231 0.51187815 0.14331347 1\n C C5 1 0.29862104 0.64565692 0.40787363 1\n C C6 1 -0.14981300 -0.03486917 0.11723487 1\n C C7 1 0.43645728 0.29436587 0.36756768 1\n C C8 1 0.25559203 0.90761258 0.99467274 1\n C C9 1 0.80173867 0.24858384 0.71315222 1\n C C10 1 0.08558264 0.68702352 0.21390969 1\n C C11 1 0.82550185 0.78100328 0.50284800 1\n C C12 1 0.83577060 0.24472753 0.24267883 1\n C C13 1 0.67736595 1.11870353 0.52109056 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51970000\n_cell_length_b 3.80785000\n_cell_length_c 11.22375000\n_cell_angle_alpha 93.27829000\n_cell_angle_beta 106.37178000\n_cell_angle_gamma 97.18426000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 102.02579157\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58387649 1.11322520 0.52740986 1\n C C1 1 0.16451660 1.25105169 0.57136634 1\n C C2 1 0.01602190 0.13288505 0.02262390 1\n C C3 1 0.93900917 0.67033664 0.72767062 1\n C C4 1 0.89970042 0.00605494 0.13913040 1\n C C5 1 0.83712862 -0.31736829 0.38899038 1\n C C6 1 0.09005212 0.00024719 0.81911506 1\n C C7 1 0.41564697 0.82770382 0.43224498 1\n C C8 1 0.35022467 0.51149309 0.67952960 1\n C C9 1 1.08541922 0.26650558 0.24737255 1\n C C10 1 0.31191437 0.84427888 0.09191576 1\n C C11 1 0.57716532 0.56980953 0.92053039 1\n C C12 1 0.16094939 0.51435222 1.00024772 1\n C C13 1 0.66629018 0.40245861 0.29176433 1\n C C14 1 -0.32682169 -0.05595600 0.89837395 1\n C C15 1 0.23444616 0.38083817 0.79642555 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06775000\n_cell_length_b 4.23517000\n_cell_length_c 5.97953000\n_cell_angle_alpha 124.82951000\n_cell_angle_beta 133.10130000\n_cell_angle_gamma 80.95706000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.89718422\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68322733 0.14251573 0.24771631 1\n C C1 1 0.12760235 0.58456717 0.18714495 1\n C C2 1 0.74622558 0.20417691 0.80727566 1\n C C3 1 0.70561327 0.54948129 0.46110058 1\n C C4 1 0.08644002 0.92997067 0.84070070 1\n C C5 1 1.14941034 0.99148092 0.40019489 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47798000\n_cell_length_b 2.47740000\n_cell_length_c 6.31078000\n_cell_angle_alpha 78.67083000\n_cell_angle_beta 89.98818000\n_cell_angle_gamma 59.97784000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.66982447\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24517530 0.64326661 0.87526916 1\n C C1 1 0.46989087 0.19959338 0.54448264 1\n C C2 1 0.69271833 0.75344492 0.20987356 1\n C C3 1 0.55057342 0.03297544 0.79202798 1\n C C4 1 0.77627626 0.58838348 0.46084572 1\n C C5 1 0.33085283 0.47540607 0.12625374 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44819000\n_cell_length_b 6.06635000\n_cell_length_c 7.20952000\n_cell_angle_alpha 59.30017000\n_cell_angle_beta 93.36343000\n_cell_angle_gamma 101.12982000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 90.23435479\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86891989 0.42885478 0.90352661 1\n C C1 1 1.10764897 0.69138478 0.92085522 1\n C C2 1 1.12373830 0.63703422 0.14547010 1\n C C3 1 0.67459052 0.84020577 0.80889968 1\n C C4 1 0.25519585 0.11506857 0.23243211 1\n C C5 1 0.21900081 0.93662569 0.47168916 1\n C C6 1 0.81517872 0.13302458 0.67994261 1\n C C7 1 0.61774070 0.56004286 0.46816884 1\n C C8 1 0.33462582 0.44153928 0.77639564 1\n C C9 1 0.38361306 0.27993121 0.66366330 1\n C C10 1 0.18885815 0.65137455 0.53593153 1\n C C11 1 0.62964618 0.61313762 0.24654686 1\n C C12 1 -0.22297012 0.20243553 0.12622835 1\n C C13 1 0.73998995 -0.02463144 0.56965058 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48210000\n_cell_length_b 3.84911000\n_cell_length_c 5.35913000\n_cell_angle_alpha 135.81456000\n_cell_angle_beta 90.00262000\n_cell_angle_gamma 90.00085000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.68584710\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49248962 0.19831501 0.49688718 1\n C C1 1 -0.00752161 -0.03753941 0.25990482 1\n C C2 1 0.49244944 1.17040671 0.76438760 1\n C C3 1 0.49225403 0.60860738 0.49787530 1\n C C4 1 -0.00755891 0.40084032 0.99350832 1\n C C5 1 0.99222582 0.37283699 0.26090460 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45678000\n_cell_length_b 3.66597000\n_cell_length_c 6.91808000\n_cell_angle_alpha 98.38735000\n_cell_angle_beta 110.79852000\n_cell_angle_gamma 109.60244000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.32841536\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76503524 0.22010044 0.81498272 1\n C C1 1 0.73036140 0.48645693 0.14819374 1\n C C2 1 0.71643470 0.77655258 0.49080469 1\n C C3 1 1.02056357 0.23875524 1.06159454 1\n C C4 1 0.04052609 0.67053837 0.86540253 1\n C C5 1 0.05311169 0.97141168 0.72780486 1\n C C6 1 0.74481430 0.78869629 0.01109224 1\n C C7 1 0.06304091 0.68207866 0.38456907 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48781000\n_cell_length_b 4.30453000\n_cell_length_c 4.30433000\n_cell_angle_alpha 80.40324000\n_cell_angle_beta 73.17671000\n_cell_angle_gamma 89.98091000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.44811676\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34372904 0.68536245 0.83560554 1\n C C1 1 0.40533841 0.37269817 0.71076691 1\n C C2 1 1.15533841 0.62269817 0.21076691 1\n C C3 1 0.90533841 0.87269817 0.71076691 1\n C C4 1 0.59372904 0.43536245 0.33560554 1\n C C5 1 0.65533841 0.12269817 0.21076691 1\n C C6 1 0.09372904 0.93536245 0.33560554 1\n C C7 1 0.84372904 0.18536245 0.83560554 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46936000\n_cell_length_b 5.33062000\n_cell_length_c 8.08068000\n_cell_angle_alpha 104.94775000\n_cell_angle_beta 107.79668000\n_cell_angle_gamma 90.00328000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 97.49016557\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65075631 0.92764708 0.99122763 1\n C C1 1 0.46979179 0.18843173 0.80975870 1\n C C2 1 0.73381189 0.18760347 0.57639346 1\n C C3 1 0.22334834 0.63003706 0.06400685 1\n C C4 1 0.26330912 0.36329083 0.10074742 1\n C C5 1 -0.02260126 -0.06722451 0.32053237 1\n C C6 1 0.86341614 0.75135676 0.70070771 1\n C C7 1 0.27535756 0.60667700 0.61277972 1\n C C8 1 0.06239947 0.52836816 0.40247784 1\n C C9 1 0.54820161 1.03787948 0.39125972 1\n C C10 1 0.47107982 0.44170105 0.31099478 1\n C C11 1 0.79524465 0.78253601 0.13609695 1\n C C12 1 0.88129063 1.04268386 0.72122226 1\n C C13 1 0.06273062 0.78223348 0.90332984 1\n C C14 1 0.67480359 0.21886947 1.01259668 1\n C C15 1 0.30641063 0.34003578 0.64844718 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48130000\n_cell_length_b 4.22068000\n_cell_length_c 3.68757000\n_cell_angle_alpha 75.02918000\n_cell_angle_beta 70.37117000\n_cell_angle_gamma 89.98459000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98104130\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84735513 0.88929602 0.52432785 1\n C C1 1 0.62263530 0.68261406 0.97018679 1\n C C2 1 0.36792785 0.11104501 0.48377323 1\n C C3 1 0.16758583 0.18693413 0.88110158 1\n C C4 1 0.58947510 0.31762571 0.03774064 1\n C C5 1 0.04390849 0.81294517 0.12752031 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48390000\n_cell_length_b 2.49078000\n_cell_length_c 7.51315000\n_cell_angle_alpha 80.39043000\n_cell_angle_beta 90.00518000\n_cell_angle_gamma 90.03150000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.83047573\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65746839 0.95376564 0.61303170 1\n C C1 1 0.65716384 0.19116117 0.14529093 1\n C C2 1 0.65785546 0.28137829 0.96118952 1\n C C3 1 1.15784410 0.33190524 0.85419365 1\n C C4 1 0.15699213 0.13381629 0.25278727 1\n C C5 1 0.65690710 0.51423278 0.49332120 1\n C C6 1 0.15665407 0.57146268 0.37555584 1\n C C7 1 0.15768420 0.89288941 0.73130979 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45572000\n_cell_length_b 3.34853000\n_cell_length_c 7.34131000\n_cell_angle_alpha 101.79701000\n_cell_angle_beta 80.34056000\n_cell_angle_gamma 111.35584000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.74615626\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84753086 0.91160249 0.53924307 1\n C C1 1 0.22739626 0.76193093 0.62928268 1\n C C2 1 0.08951282 0.33622866 0.47999543 1\n C C3 1 0.11023500 0.72094743 0.82645274 1\n C C4 1 0.70791658 0.48386570 0.38880373 1\n C C5 1 0.39437366 0.57524999 0.10242435 1\n C C6 1 0.82403954 0.52575594 0.19113246 1\n C C7 1 0.53986337 0.67263416 0.91518785 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45757000\n_cell_length_b 7.58584000\n_cell_length_c 5.72063000\n_cell_angle_alpha 101.90175000\n_cell_angle_beta 89.94878000\n_cell_angle_gamma 99.30018000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 102.92568505\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56514768 0.65682462 0.62521028 1\n C C1 1 0.50725697 0.53522770 -0.00277970 1\n C C2 1 0.28738884 0.08790127 0.55544976 1\n C C3 1 0.34675106 0.20743622 0.09088108 1\n C C4 1 0.93241246 0.38086103 0.58573036 1\n C C5 1 0.96904896 0.45716007 0.33838441 1\n C C6 1 0.83425396 0.17970060 0.55622785 1\n C C7 1 0.19741762 0.90758611 0.60800134 1\n C C8 1 -0.19993880 0.11696071 0.06669440 1\n C C9 1 0.15290477 0.82637191 0.05687518 1\n C C10 1 0.47685336 0.47463594 0.71499411 1\n C C11 1 0.69903372 0.91638746 1.00319448 1\n C C12 1 0.67300857 0.86008512 0.72717325 1\n C C13 1 0.06326279 0.65244186 0.47820015 1\n C C14 1 0.44525547 0.40654828 0.18522632 1\n C C15 1 0.06214905 0.64733519 1.04319154 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.84747000\n_cell_length_b 3.62703000\n_cell_length_c 4.81440000\n_cell_angle_alpha 67.86564000\n_cell_angle_beta 97.90912000\n_cell_angle_gamma 87.09135000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.33383692\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90877791 0.65839350 0.38535299 1\n C C1 1 0.90774610 0.87234732 0.57591124 1\n C C2 1 0.90774520 0.71782838 0.88548110 1\n C C3 1 0.90914420 0.27724926 0.38523348 1\n C C4 1 0.90705054 0.93145211 0.07623076 1\n C C5 1 -0.09371466 0.31298813 0.07619992 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51145000\n_cell_length_b 4.19264000\n_cell_length_c 4.19228000\n_cell_angle_alpha 121.26912000\n_cell_angle_beta 72.34957000\n_cell_angle_gamma 107.65941000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.37242953\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47341105 0.41397364 0.56453294 1\n C C1 1 0.85936697 0.43281382 0.80764068 1\n C C2 1 0.85972194 0.80176250 0.17618347 1\n C C3 1 0.66652107 0.75815899 0.52067162 1\n C C4 1 0.47367226 0.04454941 0.19524042 1\n C C5 1 0.66624121 0.08843814 0.85124948 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52203000\n_cell_length_b 7.26785000\n_cell_length_c 8.89231000\n_cell_angle_alpha 122.16534000\n_cell_angle_beta 95.93498000\n_cell_angle_gamma 101.54845000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 130.77924917\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96910569 0.18467012 0.59215839 1\n C C1 1 0.53496639 0.45534324 0.43683914 1\n C C2 1 0.64860148 0.73496791 0.33787736 1\n C C3 1 0.21952712 0.85228314 0.35974999 1\n C C4 1 0.74573673 0.56605008 0.79602169 1\n C C5 1 0.94529517 0.79729271 0.96913180 1\n C C6 1 0.13888171 0.57290488 0.53715745 1\n C C7 1 1.06632733 0.35242939 0.87600327 1\n C C8 1 0.31075451 0.79556578 0.67112624 1\n C C9 1 -0.08220803 -0.06871144 0.75351993 1\n C C10 1 0.38080848 0.11085669 0.47276202 1\n C C11 1 0.96966826 0.12937932 0.73698336 1\n C C12 1 0.51188090 0.84035720 1.08736532 1\n C C13 1 1.15996020 0.44030394 0.75503387 1\n C C14 1 0.50240116 0.49314545 0.28203726 1\n C C15 1 0.34531607 0.19247272 0.34215509 1\n C C16 1 -0.09889203 0.38990405 0.16134540 1\n C C17 1 0.32823817 0.71717707 0.17074448 1\n C C18 1 -0.26621202 0.09732931 0.22109570 1\n C C19 1 0.69460417 0.13978281 0.06817635 1\n C C20 1 0.06928189 0.01216696 -0.04211200 1\n C C21 1 0.01308407 0.47934126 1.05047568 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44878000\n_cell_length_b 4.76884000\n_cell_length_c 7.53340000\n_cell_angle_alpha 55.71748000\n_cell_angle_beta 82.64300000\n_cell_angle_gamma 72.37199000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.17572712\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02146993 0.93483902 0.53354359 1\n C C1 1 0.52202984 1.03060900 0.38807441 1\n C C2 1 -0.07361352 0.04206445 0.68946068 1\n C C3 1 0.17224174 0.52894123 0.67646665 1\n C C4 1 0.45863636 -0.11602808 0.83476200 1\n C C5 1 1.19404764 0.34830512 0.92025065 1\n C C6 1 0.39711263 0.41887083 0.20062674 1\n C C7 1 0.44350967 -0.02506544 0.99359601 1\n C C8 1 0.75485615 0.42990389 0.60124814 1\n C C9 1 0.72815885 0.64392247 0.19878730 1\n C C10 1 0.57415138 0.48090679 -0.02268816 1\n C C11 1 0.68703292 0.70974662 0.36790787 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.59399000\n_cell_length_b 3.56985000\n_cell_length_c 4.75878000\n_cell_angle_alpha 99.57803000\n_cell_angle_beta 123.60237000\n_cell_angle_gamma 92.63872000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.42963848\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34057271 0.14994025 0.26268465 1\n C C1 1 0.00627419 0.53706237 0.81484940 1\n C C2 1 0.93678698 0.84918695 1.05724782 1\n C C3 1 0.50627419 1.03706237 0.81484940 1\n C C4 1 0.43678698 0.34918695 0.05724782 1\n C C5 1 0.84057271 0.64994025 0.26268465 1\n C C6 1 0.10248846 0.73630907 0.60941257 1\n C C7 1 0.60248846 0.23630907 0.60941257 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44393000\n_cell_length_b 4.80561000\n_cell_length_c 5.49171000\n_cell_angle_alpha 70.47571000\n_cell_angle_beta 89.97326000\n_cell_angle_gamma 75.23825000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.52840636\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12572251 0.22409183 0.19759974 1\n C C1 1 0.55921570 0.35574667 0.28953103 1\n C C2 1 0.29992690 0.87536509 0.31396612 1\n C C3 1 0.38536530 0.70344531 1.12754091 1\n C C4 1 1.02520960 0.43063082 0.65143822 1\n C C5 1 0.76906747 0.94259311 0.68447880 1\n C C6 1 0.87244305 0.73159055 0.95282980 1\n C C7 1 0.60092048 0.27913506 0.57798489 1\n C C8 1 0.84945995 0.77909673 0.49252513 1\n C C9 1 1.02870264 0.42341674 0.91975446 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51452000\n_cell_length_b 4.86998000\n_cell_length_c 6.48999000\n_cell_angle_alpha 117.65803000\n_cell_angle_beta 98.66504000\n_cell_angle_gamma 90.57834000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.29829363\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25568765 0.63138285 0.90717535 1\n C C1 1 0.73959717 0.78428686 0.87592240 1\n C C2 1 0.15435448 0.28148280 0.71576224 1\n C C3 1 0.30654835 0.30672438 0.13282539 1\n C C4 1 0.18346115 0.34628166 0.36266205 1\n C C5 1 0.67571530 0.14607672 0.76361132 1\n C C6 1 0.75724666 0.14529371 0.99936896 1\n C C7 1 1.09521762 0.67889632 0.49394108 1\n C C8 1 0.38734374 0.64407352 0.15793497 1\n C C9 1 0.08041849 0.15392977 0.44786977 1\n C C10 1 0.65117047 0.79549727 0.63979790 1\n C C11 1 0.98224322 0.80041235 0.31109905 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.84430000\n_cell_length_b 4.79031000\n_cell_length_c 5.77309000\n_cell_angle_alpha 105.22607000\n_cell_angle_beta 76.96261000\n_cell_angle_gamma 146.66638000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.69079792\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04255439 0.35553070 0.20960030 1\n C C1 1 0.63325639 0.61425707 0.88940176 1\n C C2 1 0.03612226 0.42485309 0.46075027 1\n C C3 1 0.28890738 0.80412395 0.13173158 1\n C C4 1 0.79340706 -0.02191019 0.53865740 1\n C C5 1 0.28310253 0.92503100 0.54881125 1\n C C6 1 0.40928524 1.14427417 0.33915970 1\n C C7 1 0.79888976 0.85665109 0.12110348 1\n C C8 1 0.67033258 0.63711922 0.33122902 1\n C C9 1 0.45080283 0.16750034 0.78006853 1\n C C10 1 0.45949674 -0.06172099 0.89557432 1\n C C11 1 0.62390064 -0.15688195 0.77460948 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46910000\n_cell_length_b 4.92151000\n_cell_length_c 4.84245000\n_cell_angle_alpha 88.92747000\n_cell_angle_beta 135.28404000\n_cell_angle_gamma 111.52362000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.27960660\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20999244 0.42217286 -0.02565849 1\n C C1 1 0.53534056 0.91948382 0.87467108 1\n C C2 1 0.89223429 0.42248906 0.31495981 1\n C C3 1 0.39758310 0.75825309 0.05507044 1\n C C4 1 0.37594086 0.75968204 0.54493613 1\n C C5 1 0.04205226 0.25532835 0.61414353 1\n C C6 1 0.55695834 0.91800984 0.38491136 1\n C C7 1 0.72495065 0.25586464 0.95480544 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47993000\n_cell_length_b 3.68693000\n_cell_length_c 4.83913000\n_cell_angle_alpha 57.44584000\n_cell_angle_beta 104.75151000\n_cell_angle_gamma 109.61798000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97640125\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47962347 0.47470181 0.75661186 1\n C C1 1 0.25937041 0.23597919 0.55028594 1\n C C2 1 0.99903330 0.29206803 0.97843075 1\n C C3 1 0.22128097 0.53075096 1.18529494 1\n C C4 1 0.68112681 -0.05183971 0.68136588 1\n C C5 1 0.79979454 0.81840132 0.05449053 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47392000\n_cell_length_b 4.23578000\n_cell_length_c 6.96603000\n_cell_angle_alpha 104.51101000\n_cell_angle_beta 100.23871000\n_cell_angle_gamma 90.01228000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.46614765\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62456298 1.23886371 0.90264699 1\n C C1 1 0.76694192 0.60794032 0.18571491 1\n C C2 1 0.64905412 0.60895037 -0.04459872 1\n C C3 1 0.42135217 -0.10026530 0.49433333 1\n C C4 1 -0.02944059 0.94561541 0.59431467 1\n C C5 1 0.73918912 0.23799885 0.13301157 1\n C C6 1 0.24837192 0.05116280 0.15119442 1\n C C7 1 1.08113894 1.05267608 0.81594482 1\n C C8 1 0.30966710 0.79451510 0.27263675 1\n C C9 1 0.14010632 0.79639476 0.93749506 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.66256000\n_cell_length_b 2.41761000\n_cell_length_c 10.96463000\n_cell_angle_alpha 103.08881000\n_cell_angle_beta 77.48832000\n_cell_angle_gamma 90.81089000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.06819673\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67021140 0.85850888 0.19180236 1\n C C1 1 0.76857808 0.29227813 0.12590051 1\n C C2 1 1.11491394 0.59518481 0.92847638 1\n C C3 1 0.51816125 0.99645388 0.33178703 1\n C C4 1 -0.18554450 0.20421807 0.53498541 1\n C C5 1 0.48885432 -0.10098934 0.73329914 1\n C C6 1 0.36720909 0.46350197 0.79848371 1\n C C7 1 0.99342599 0.15886346 0.99321638 1\n C C8 1 0.71388231 0.77020155 0.60077466 1\n C C9 1 -0.03481908 1.05888827 0.39501411 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45553000\n_cell_length_b 3.40651000\n_cell_length_c 5.84169000\n_cell_angle_alpha 64.69166000\n_cell_angle_beta 77.75129000\n_cell_angle_gamma 68.67599000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.05687722\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86800984 0.33724682 0.12729178 1\n C C1 1 1.00270823 0.59545978 0.59610833 1\n C C2 1 0.23447402 0.19392250 0.53305776 1\n C C3 1 0.39755011 0.67487039 0.72481900 1\n C C4 1 0.83979070 1.11667501 0.40317619 1\n C C5 1 0.37218650 0.45521320 1.00122405 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47357000\n_cell_length_b 4.11790000\n_cell_length_c 4.94502000\n_cell_angle_alpha 90.00012000\n_cell_angle_beta 59.97333000\n_cell_angle_gamma 89.97900000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60957647\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16650380 0.28044099 0.42289158 1\n C C1 1 0.16662459 0.90662882 0.42274047 1\n C C2 1 0.83307192 0.78048110 0.75599542 1\n C C3 1 1.16630413 0.28046832 -0.07711293 1\n C C4 1 0.83298211 0.40662375 0.25625273 1\n C C5 1 -0.16667351 0.78043581 0.25599828 1\n C C6 1 0.16636042 0.90665597 0.92274439 1\n C C7 1 0.83278084 0.40667435 0.75625044 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49161000\n_cell_length_b 4.35777000\n_cell_length_c 3.59339000\n_cell_angle_alpha 84.31527000\n_cell_angle_beta 69.69470000\n_cell_angle_gamma 73.42129000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.07075116\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80687411 0.93860312 0.52958801 1\n C C1 1 0.88882762 0.14452386 0.15881967 1\n C C2 1 0.99505342 0.56271738 0.52906829 1\n C C3 1 0.36544136 0.56250869 0.78878781 1\n C C4 1 0.17769898 -0.06177735 0.78930390 1\n C C5 1 0.28388811 0.35654511 1.15840101 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.99614000\n_cell_length_b 3.70327000\n_cell_length_c 9.72359000\n_cell_angle_alpha 116.05410000\n_cell_angle_beta 124.28016000\n_cell_angle_gamma 40.73740000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.16143965\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31442394 0.99394649 0.73804365 1\n C C1 1 0.56159231 0.49337541 0.48792266 1\n C C2 1 1.06506170 0.49399211 0.98804629 1\n C C3 1 0.81245408 -0.00656499 0.23793566 1\n C C4 1 0.64868048 0.99390789 0.07143770 1\n C C5 1 1.14694659 0.99346824 0.57136598 1\n C C6 1 0.39621559 0.49334738 0.32132126 1\n C C7 1 0.89953391 0.49403197 0.82148080 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34459000\n_cell_length_b 7.04498000\n_cell_length_c 6.20541000\n_cell_angle_alpha 74.51665000\n_cell_angle_beta 85.64557000\n_cell_angle_gamma 94.98769000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 139.62500751\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13095189 0.61945401 0.96738372 1\n C C1 1 0.27018391 1.11749298 0.73628842 1\n C C2 1 0.84628892 0.68326178 0.30279944 1\n C C3 1 0.44504783 0.16910552 0.92652309 1\n C C4 1 1.05593392 0.29641861 0.63374418 1\n C C5 1 0.39380692 0.95683357 0.43516925 1\n C C6 1 0.09787304 0.18273873 0.08456929 1\n C C7 1 0.97709708 0.62613473 0.52994809 1\n C C8 1 0.23620965 0.68062157 1.17078361 1\n C C9 1 -0.08830505 0.38359424 1.03130878 1\n C C10 1 -0.12150152 0.22722176 0.44847076 1\n C C11 1 0.87331714 0.76913571 0.81664776 1\n C C12 1 0.29212456 0.48437548 0.53699209 1\n C C13 1 0.74250356 1.03096497 0.03094141 1\n C C14 1 0.61668700 0.33643942 0.26146635 1\n C C15 1 0.22930320 0.15999166 0.31238177 1\n C C16 1 0.17258803 0.78149588 0.61414911 1\n C C17 1 0.47011531 0.67503821 0.78012812 1\n C C18 1 0.60335690 0.52352084 0.67996740 1\n C C19 1 0.49491646 0.52664477 0.30512419 1\n C C20 1 0.57867466 0.85914726 0.22849073 1\n C C21 1 0.61436591 0.05629697 0.59987562 1\n C C22 1 0.73825326 0.34740615 0.82280690 1\n C C23 1 0.88822182 0.97625198 0.81457252 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48710000\n_cell_length_b 6.31514000\n_cell_length_c 4.53184000\n_cell_angle_alpha 87.31324000\n_cell_angle_beta 74.06170000\n_cell_angle_gamma 78.65645000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.10364559\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00823774 0.55911004 0.50202765 1\n C C1 1 0.35496274 0.38878911 0.95311423 1\n C C2 1 0.83579024 0.51873387 0.85936727 1\n C C3 1 0.32376260 0.91556373 0.48563734 1\n C C4 1 0.11567618 1.03525885 0.78327869 1\n C C5 1 0.55330725 0.17976104 0.76306675 1\n C C6 1 0.63336945 0.72794123 0.05068197 1\n C C7 1 0.86598465 -0.00713719 0.32600640 1\n C C8 1 0.47792409 0.68015009 0.40810415 1\n C C9 1 0.70913660 0.22811000 0.40456779 1\n C C10 1 1.07253930 0.87255614 0.02868801 1\n C C11 1 0.19558184 0.34911870 0.31125535 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54675000\n_cell_length_b 3.65137000\n_cell_length_c 5.53579000\n_cell_angle_alpha 94.47245000\n_cell_angle_beta 77.06357000\n_cell_angle_gamma 110.45662000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.00749030\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96561102 0.97181049 0.40548289 1\n C C1 1 0.59601084 0.23293782 0.40538477 1\n C C2 1 0.69442826 0.60118682 0.57741143 1\n C C3 1 0.00083996 0.79178441 0.15763604 1\n C C4 1 0.21664102 -0.02814604 0.90901430 1\n C C5 1 0.84685269 0.23326850 0.90920731 1\n C C6 1 0.81285960 0.41425852 0.15773489 1\n C C7 1 0.11668769 0.60135448 0.73665878 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43808000\n_cell_length_b 7.23666000\n_cell_length_c 5.84559000\n_cell_angle_alpha 46.39270000\n_cell_angle_beta 65.26610000\n_cell_angle_gamma 70.21382000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 67.63299179\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61287661 0.22085539 0.81561839 1\n C C1 1 0.07574770 0.62306216 0.44860993 1\n C C2 1 0.44828790 0.75032983 0.44872439 1\n C C3 1 0.17278274 0.78224791 0.69294017 1\n C C4 1 0.10979726 0.34698291 0.69250703 1\n C C5 1 0.54616685 0.78533578 0.81605778 1\n C C6 1 0.64237317 0.94477018 0.06024369 1\n C C7 1 0.27075696 0.81744154 0.06019652 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46103000\n_cell_length_b 3.46115000\n_cell_length_c 4.23874000\n_cell_angle_alpha 89.88702000\n_cell_angle_beta 90.12099000\n_cell_angle_gamma 91.71157000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.75361710\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15645248 0.80147749 0.55058721 1\n C C1 1 0.56418290 0.37024882 -0.11536559 1\n C C2 1 0.81700068 0.60951777 0.04728076 1\n C C3 1 0.87864954 0.52408934 0.38238232 1\n C C4 1 0.22130623 0.18228544 0.38223782 1\n C C5 1 0.49915080 0.45950069 0.55017855 1\n C C6 1 0.07234290 0.86273794 0.88546480 1\n C C7 1 0.30882646 0.11855462 1.04786503 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46183000\n_cell_length_b 4.79372000\n_cell_length_c 7.14218000\n_cell_angle_alpha 95.90587000\n_cell_angle_beta 99.92289000\n_cell_angle_gamma 89.96321000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.57304721\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10367440 0.84710092 0.33470179 1\n C C1 1 0.51819374 0.41867826 0.57146186 1\n C C2 1 0.68101323 0.44789957 0.89539489 1\n C C3 1 0.36694608 1.01362545 0.27277599 1\n C C4 1 1.09356013 1.05697472 0.71835749 1\n C C5 1 0.77078858 0.30824143 0.07311029 1\n C C6 1 0.15760383 0.61447227 0.85119653 1\n C C7 1 0.04581265 0.58548662 0.62874814 1\n C C8 1 0.41082957 0.34570147 0.36150731 1\n C C9 1 0.59507275 0.23046373 0.72227709 1\n C C10 1 0.86701004 0.47828100 0.27251925 1\n C C11 1 1.00699465 0.84795817 0.54921002 1\n C C12 1 0.18383393 0.91550694 0.89757414 1\n C C13 1 0.27062341 1.10828763 0.07184121 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46604000\n_cell_length_b 3.62594000\n_cell_length_c 6.62511000\n_cell_angle_alpha 94.05719000\n_cell_angle_beta 75.89928000\n_cell_angle_gamma 62.38770000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.73472494\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19908141 0.13929006 -0.03165748 1\n C C1 1 0.82844028 0.07306350 0.83932867 1\n C C2 1 0.69590684 0.16114256 0.34106180 1\n C C3 1 0.19776860 0.84346367 0.12841602 1\n C C4 1 0.89512904 0.57091556 0.12771465 1\n C C5 1 0.06426823 0.93236463 0.63021525 1\n C C6 1 0.99727308 0.43388802 0.34187736 1\n C C7 1 0.69461751 0.86507200 0.50117582 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03325000\n_cell_length_b 3.71354000\n_cell_length_c 7.04565000\n_cell_angle_alpha 53.62689000\n_cell_angle_beta 73.18904000\n_cell_angle_gamma 66.82066000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.57544888\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86579248 0.75511796 0.38155153 1\n C C1 1 1.04882034 0.95412741 0.00129279 1\n C C2 1 0.68305763 0.31505280 0.00152159 1\n C C3 1 0.17559290 0.58904934 0.23191172 1\n C C4 1 0.55109873 0.21689752 0.23239626 1\n C C5 1 0.55633267 0.68023465 0.77084326 1\n C C6 1 1.18082641 0.05231967 0.77041197 1\n C C7 1 0.86598564 0.51428885 0.62120017 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46693000\n_cell_length_b 4.17085000\n_cell_length_c 8.39487000\n_cell_angle_alpha 77.84578000\n_cell_angle_beta 93.12984000\n_cell_angle_gamma 89.99046000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 84.30830603\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11864588 0.80945048 0.58101230 1\n C C1 1 0.44869467 0.37114040 0.25480072 1\n C C2 1 0.61893798 0.97427094 0.58217208 1\n C C3 1 0.70025539 0.46369183 0.92184144 1\n C C4 1 0.11916672 0.47396200 0.58362498 1\n C C5 1 0.20035956 0.62905195 0.92201588 1\n C C6 1 0.20079268 0.96199177 0.92574115 1\n C C7 1 0.61957245 0.30767072 0.58532055 1\n C C8 1 0.94974076 0.37156349 0.25403541 1\n C C9 1 0.70078310 0.12751061 0.92537058 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42488000\n_cell_length_b 5.78458000\n_cell_length_c 9.62331000\n_cell_angle_alpha 53.94972000\n_cell_angle_beta 75.56177000\n_cell_angle_gamma 78.12075000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 105.38723420\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.09622219 0.54682247 0.76740937 1\n C C1 1 0.27473178 0.25876336 0.04709274 1\n C C2 1 0.80832502 0.36372028 0.95932396 1\n C C3 1 0.43990826 0.49074804 0.26211822 1\n C C4 1 0.29349212 1.02148330 0.64018464 1\n C C5 1 0.79823725 0.20790861 0.54240541 1\n C C6 1 1.19830441 0.04695032 0.22939172 1\n C C7 1 0.63547022 0.42024579 0.59665139 1\n C C8 1 0.51735642 0.70135906 0.07946357 1\n C C9 1 0.90237074 0.38844303 0.35039185 1\n C C10 1 0.12806423 1.02162662 0.80535504 1\n C C11 1 0.05363367 -0.19397990 0.98992166 1\n C C12 1 0.40811907 0.73302796 0.66951636 1\n C C13 1 0.65937394 -0.05634516 0.31920323 1\n C C14 1 0.06162831 0.33328949 0.71389479 1\n C C15 1 0.57489346 0.73159512 0.50452926 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42719000\n_cell_length_b 4.15656000\n_cell_length_c 7.15651000\n_cell_angle_alpha 107.82897000\n_cell_angle_beta 120.54010000\n_cell_angle_gamma 90.11050000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.09521602\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23894886 -0.02032597 0.86141328 1\n C C1 1 0.30479722 0.35337779 0.90489855 1\n C C2 1 0.93475987 0.27983561 0.32365609 1\n C C3 1 0.87091635 0.73865222 0.61523553 1\n C C4 1 0.22423460 0.59362409 0.51633377 1\n C C5 1 -0.08551740 0.89710986 -0.02145669 1\n C C6 1 0.84937861 0.52440334 -0.06427911 1\n C C7 1 0.28792268 0.13485055 0.22480468 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44370000\n_cell_length_b 4.79904000\n_cell_length_c 5.49147000\n_cell_angle_alpha 109.51565000\n_cell_angle_beta 89.99612000\n_cell_angle_gamma 104.58971000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.49349824\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25764944 0.98038538 0.04707210 1\n C C1 1 0.98200828 0.43240389 0.65268706 1\n C C2 1 0.26514405 0.98860563 0.31537640 1\n C C3 1 0.69021923 0.83790211 0.38920138 1\n C C4 1 0.89393443 0.26048672 0.83924914 1\n C C5 1 0.52058431 0.50114580 0.28217222 1\n C C6 1 0.15501251 0.78053961 0.76928642 1\n C C7 1 0.40878074 0.28876027 0.01393034 1\n C C8 1 0.43756154 0.33778464 0.47433032 1\n C C9 1 0.72087157 0.91242664 0.67749893 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42997000\n_cell_length_b 2.43016000\n_cell_length_c 8.49348000\n_cell_angle_alpha 81.00750000\n_cell_angle_beta 88.32510000\n_cell_angle_gamma 59.99125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.82826175\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04469069 1.11561228 0.09175902 1\n C C1 1 0.68654403 -0.04768061 0.76101907 1\n C C2 1 0.71135704 0.78231591 0.09166804 1\n C C3 1 0.88348106 0.55175970 0.42717730 1\n C C4 1 0.55054158 0.21799540 0.42771642 1\n C C5 1 0.35319420 0.61886931 0.76106756 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47512000\n_cell_length_b 3.72187000\n_cell_length_c 4.24701000\n_cell_angle_alpha 115.98589000\n_cell_angle_beta 90.00850000\n_cell_angle_gamma 90.00198000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.16843721\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84967067 0.88009141 0.75795439 1\n C C1 1 0.84985890 0.72347771 0.03583592 1\n C C2 1 0.34958504 0.33489853 0.25894974 1\n C C3 1 0.84937694 0.31484609 1.03578000 1\n C C4 1 0.34966007 0.76942070 0.53662657 1\n C C5 1 0.35013158 0.92631575 0.25877107 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46311000\n_cell_length_b 6.72772000\n_cell_length_c 8.12565000\n_cell_angle_alpha 113.34384000\n_cell_angle_beta 72.29266000\n_cell_angle_gamma 100.59266000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 117.46289579\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51616782 0.64138726 0.72339156 1\n C C1 1 -0.12863701 0.15163228 0.12036388 1\n C C2 1 0.82876832 0.83997545 0.50812032 1\n C C3 1 0.25741058 0.51034067 0.41382315 1\n C C4 1 0.45196494 0.51570925 0.22079726 1\n C C5 1 0.25211380 0.09645092 0.21132039 1\n C C6 1 0.65142657 0.70159573 0.11222415 1\n C C7 1 0.00580163 1.00036151 0.91225524 1\n C C8 1 0.22258311 0.83394996 0.10757472 1\n C C9 1 0.18097218 0.16109021 0.81694093 1\n C C10 1 0.37161813 0.16715900 0.62913222 1\n C C11 1 0.97305761 0.38706742 0.13457859 1\n C C12 1 0.93668145 0.51943589 0.74145403 1\n C C13 1 0.14806281 0.27733262 0.40486260 1\n C C14 1 1.16073986 0.38178367 0.94390590 1\n C C15 1 0.96210281 0.28411142 0.59683039 1\n C C16 1 0.36844031 0.93907406 0.51871601 1\n C C17 1 0.71258137 0.62579215 0.51656254 1\n C C18 1 0.45230626 0.85888545 0.89468647 1\n C C19 1 0.73848704 0.50438997 0.92763407 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48706000\n_cell_length_b 2.48800000\n_cell_length_c 6.57703000\n_cell_angle_alpha 79.05735000\n_cell_angle_beta 112.26727000\n_cell_angle_gamma 120.05100000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59984430\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23726765 0.59621748 0.19166284 1\n C C1 1 -0.01260636 0.59636747 -0.05833825 1\n C C2 1 0.57095161 0.92985542 0.85830486 1\n C C3 1 0.65338304 0.26286065 0.27444197 1\n C C4 1 0.32108954 -0.07010925 0.60797599 1\n C C5 1 -0.09567838 0.26326753 0.52449958 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46348000\n_cell_length_b 3.38938000\n_cell_length_c 6.13512000\n_cell_angle_alpha 68.61878000\n_cell_angle_beta 101.55093000\n_cell_angle_gamma 68.67653000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.03446684\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38678571 0.28071632 0.23116265 1\n C C1 1 0.53875261 0.57675583 0.82980566 1\n C C2 1 1.00645691 0.51637895 0.70422692 1\n C C3 1 0.62708992 1.07569035 0.50647628 1\n C C4 1 0.15917792 1.13655229 0.63198309 1\n C C5 1 0.77968173 0.37012455 0.10520570 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49002000\n_cell_length_b 3.93957000\n_cell_length_c 5.94647000\n_cell_angle_alpha 82.30902000\n_cell_angle_beta 77.96746000\n_cell_angle_gamma 90.00985000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.51400576\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23693916 0.16960099 0.59596156 1\n C C1 1 0.10696227 0.01247005 0.86292976 1\n C C2 1 0.60063241 0.77298342 0.87573888 1\n C C3 1 0.49787140 0.47048260 0.07573110 1\n C C4 1 0.26377330 0.53564006 0.54432095 1\n C C5 1 0.90030755 0.93276635 0.26495824 1\n C C6 1 0.39413784 0.69385321 0.27752755 1\n C C7 1 1.00331618 0.23564341 0.06511712 1\n C C8 1 0.71775583 0.67946178 0.63559356 1\n C C9 1 0.78259905 1.02535063 0.50530959 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48052000\n_cell_length_b 3.69013000\n_cell_length_c 4.83862000\n_cell_angle_alpha 111.49906000\n_cell_angle_beta 104.75092000\n_cell_angle_gamma 109.71010000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99109932\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68970416 0.86815154 0.32689878 1\n C C1 1 0.71275780 0.21251614 0.02927916 1\n C C2 1 0.41462721 0.39557819 0.25151083 1\n C C3 1 0.43971162 0.73951597 0.95367560 1\n C C4 1 0.39823787 1.15546828 0.45779381 1\n C C5 1 -0.27042496 0.45148239 -0.17743388 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44287000\n_cell_length_b 4.19649000\n_cell_length_c 6.50213000\n_cell_angle_alpha 69.79056000\n_cell_angle_beta 79.17255000\n_cell_angle_gamma 89.91841000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.29338290\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11410901 0.54590078 0.00534145 1\n C C1 1 0.56183409 0.62186758 0.65337608 1\n C C2 1 0.58202525 0.98804240 0.61355698 1\n C C3 1 0.44031837 0.53712285 0.89942893 1\n C C4 1 0.22795771 0.60235155 0.31733550 1\n C C5 1 0.78250332 0.59507709 0.21108666 1\n C C6 1 0.10764459 0.51679178 0.56342877 1\n C C7 1 0.08783598 0.15047486 0.60347761 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43087000\n_cell_length_b 4.67105000\n_cell_length_c 3.93904000\n_cell_angle_alpha 96.13810000\n_cell_angle_beta 90.88576000\n_cell_angle_gamma 106.09279000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.68001540\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34348709 0.74172403 0.69582484 1\n C C1 1 0.89720084 -0.14825635 0.58271461 1\n C C2 1 0.23134079 0.51940395 0.91783538 1\n C C3 1 1.01127642 0.07651845 0.36475282 1\n C C4 1 0.67747958 0.40902826 0.03014568 1\n C C5 1 0.56486248 0.18639086 0.25150367 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47622000\n_cell_length_b 4.79310000\n_cell_length_c 4.18444000\n_cell_angle_alpha 64.12613000\n_cell_angle_beta 89.99943000\n_cell_angle_gamma 89.99676000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.68566676\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72902575 0.90774382 0.47526460 1\n C C1 1 0.22896985 0.41976871 0.08862408 1\n C C2 1 0.22912722 0.75321933 0.42220785 1\n C C3 1 0.22902903 0.42001517 0.71909229 1\n C C4 1 0.72902240 0.26516140 0.66620982 1\n C C5 1 0.72887977 0.26489370 0.29625587 1\n C C6 1 0.22913144 0.75342036 0.05278293 1\n C C7 1 0.72914424 0.90797300 0.84522376 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46241000\n_cell_length_b 4.27911000\n_cell_length_c 5.58560000\n_cell_angle_alpha 97.04945000\n_cell_angle_beta 89.66632000\n_cell_angle_gamma 92.43517000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.35737077\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14243855 0.72173177 0.53548256 1\n C C1 1 0.99668881 0.60719436 0.26814714 1\n C C2 1 0.14864163 0.63505945 0.79429744 1\n C C3 1 0.69042294 0.93988029 0.53525454 1\n C C4 1 0.63078014 0.46930641 0.86954658 1\n C C5 1 0.33971434 0.09512724 0.16153206 1\n C C6 1 0.69669112 0.12246670 0.78555560 1\n C C7 1 0.49042293 0.45127789 0.15249245 1\n C C8 1 0.20904663 0.98536892 0.89778230 1\n C C9 1 0.83251970 -0.02616503 0.27393822 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43222000\n_cell_length_b 4.20114000\n_cell_length_c 6.15353000\n_cell_angle_alpha 90.69851000\n_cell_angle_beta 65.36874000\n_cell_angle_gamma 89.83522000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.14964404\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53865298 0.85670382 0.97879759 1\n C C1 1 0.53922786 0.52384556 -0.02126426 1\n C C2 1 1.03887492 0.35669186 -0.02136979 1\n C C3 1 -0.02476838 0.20103968 0.48113966 1\n C C4 1 0.03916798 0.02385151 0.97874806 1\n C C5 1 0.47458253 0.03389411 0.48131410 1\n C C6 1 0.47483714 0.70105622 0.48146451 1\n C C7 1 -0.02557611 0.53392035 0.48141133 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48906000\n_cell_length_b 6.26803000\n_cell_length_c 8.07588000\n_cell_angle_alpha 62.16297000\n_cell_angle_beta 72.05423000\n_cell_angle_gamma 89.98867000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 104.43764932\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75201865 0.76922318 0.81359128 1\n C C1 1 0.56191380 0.93490266 0.50021730 1\n C C2 1 -0.03424209 1.02819882 0.09618874 1\n C C3 1 0.19324536 0.11741811 0.87323562 1\n C C4 1 0.39811157 0.32852091 0.16302145 1\n C C5 1 0.16797292 0.92025855 0.39445726 1\n C C6 1 -0.22910929 0.04621581 0.79563258 1\n C C7 1 0.53533945 0.61121226 0.02928320 1\n C C8 1 0.92733028 0.61706656 0.13707799 1\n C C9 1 0.36190998 0.46007895 0.70313777 1\n C C10 1 -0.20413963 0.34507057 0.26576246 1\n C C11 1 0.57713134 0.19048024 0.48461475 1\n C C12 1 -0.01544151 0.22852326 0.57736543 1\n C C13 1 0.81695279 0.74714056 0.24557395 1\n C C14 1 0.39613816 1.09955590 0.16518802 1\n C C15 1 0.98081529 0.46964802 0.58247725 1\n C C16 1 0.18788629 0.69600304 0.37575267 1\n C C17 1 0.34754213 0.72445031 0.71810048 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42991000\n_cell_length_b 3.10042000\n_cell_length_c 5.84921000\n_cell_angle_alpha 85.93755000\n_cell_angle_beta 101.90402000\n_cell_angle_gamma 89.79265000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.00292280\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94144730 0.54026945 0.93219849 1\n C C1 1 0.49691710 0.43135519 0.04442457 1\n C C2 1 -0.16964166 -0.23485672 0.71124752 1\n C C3 1 0.27491917 0.87442744 0.59907799 1\n C C4 1 0.60818325 0.20740872 0.26561472 1\n C C5 1 0.16369364 1.09864603 0.37792301 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47791000\n_cell_length_b 4.14495000\n_cell_length_c 6.07144000\n_cell_angle_alpha 85.53935000\n_cell_angle_beta 101.77873000\n_cell_angle_gamma 89.99286000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.85246655\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78528111 0.59005050 0.43453049 1\n C C1 1 0.86510472 0.85348242 0.59257525 1\n C C2 1 0.36483932 0.07253426 0.59204571 1\n C C3 1 -0.00861642 0.81499715 0.85509950 1\n C C4 1 0.15450109 0.28232013 0.17897505 1\n C C5 1 0.62238864 0.11283657 0.11404551 1\n C C6 1 0.10814328 0.62404913 0.08271077 1\n C C7 1 0.28426661 0.37193213 0.43244514 1\n C C8 1 0.49609039 0.02515028 0.86468397 1\n C C9 1 0.66273736 0.75537362 0.19287102 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48220000\n_cell_length_b 3.98000000\n_cell_length_c 8.13024000\n_cell_angle_alpha 89.46917000\n_cell_angle_beta 90.00087000\n_cell_angle_gamma 89.99950000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.31646215\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73818396 0.51950239 0.21757839 1\n C C1 1 0.73815889 0.22394571 0.08349410 1\n C C2 1 0.23864891 -0.09993780 0.49213560 1\n C C3 1 0.23857111 0.52882033 0.49092451 1\n C C4 1 0.23832299 0.02828764 0.31399914 1\n C C5 1 0.23826203 0.41046204 0.31342862 1\n C C6 1 0.23816867 0.22401952 0.98680327 1\n C C7 1 0.73860735 0.39591708 0.56620972 1\n C C8 1 0.73824201 0.92347899 0.21803255 1\n C C9 1 0.73829293 0.21765650 0.73057543 1\n C C10 1 0.23821389 0.22053327 0.82324972 1\n C C11 1 0.73860337 1.02938922 0.56825954 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44813000\n_cell_length_b 4.19850000\n_cell_length_c 7.95827000\n_cell_angle_alpha 62.11134000\n_cell_angle_beta 107.88565000\n_cell_angle_gamma 90.00790000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.79558832\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95444277 0.58730358 0.97288026 1\n C C1 1 0.15265020 0.67259098 0.67528924 1\n C C2 1 0.70750951 0.79964438 0.72963671 1\n C C3 1 -0.45567754 0.65959964 0.06285032 1\n C C4 1 0.77146763 0.42381178 0.28957372 1\n C C5 1 0.59275698 0.22562344 0.61351604 1\n C C6 1 0.01517673 0.19548957 0.03063644 1\n C C7 1 0.52400344 1.03180225 0.03914611 1\n C C8 1 1.12384663 0.38669613 0.64513358 1\n C C9 1 0.37053465 0.34641614 0.38937427 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43760000\n_cell_length_b 6.47440000\n_cell_length_c 8.79659000\n_cell_angle_alpha 104.60181000\n_cell_angle_beta 106.74610000\n_cell_angle_gamma 78.08961000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 127.29945145\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11968444 0.76257596 0.65253002 1\n C C1 1 0.78437747 -0.10401180 0.98862543 1\n C C2 1 0.44032728 0.71541487 0.24742514 1\n C C3 1 0.02371543 0.36793344 0.23092583 1\n C C4 1 1.03754932 -0.01928625 0.74516418 1\n C C5 1 0.11644678 0.41465225 0.41002710 1\n C C6 1 0.18723911 -0.01210828 0.92218997 1\n C C7 1 0.88279995 0.65199539 0.93839581 1\n C C8 1 0.63738384 0.66210390 0.60832709 1\n C C9 1 0.40380109 0.95471315 0.26175214 1\n C C10 1 0.18445230 0.22920814 -0.02970321 1\n C C11 1 0.78350292 1.01401795 0.17323105 1\n C C12 1 0.54060517 0.29978554 -0.11500094 1\n C C13 1 -0.02624878 0.60652426 0.23590923 1\n C C14 1 0.19130945 0.08435027 0.52866595 1\n C C15 1 0.64884071 0.47973818 0.48540798 1\n C C16 1 0.50354161 0.25399249 0.15397050 1\n C C17 1 0.61290802 1.04604217 0.44437740 1\n C C18 1 0.42862239 0.10763327 0.71297043 1\n C C19 1 0.41217298 0.54124147 -0.09192060 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03237000\n_cell_length_b 4.20986000\n_cell_length_c 4.21073000\n_cell_angle_alpha 120.00444000\n_cell_angle_beta 103.24778000\n_cell_angle_gamma 102.08003000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.83308812\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80186256 0.12056330 0.46466687 1\n C C1 1 0.79315694 0.45085583 0.79494217 1\n C C2 1 0.80186256 0.45389663 0.13133353 1\n C C3 1 0.79315694 0.11752250 0.12827550 1\n C C4 1 -0.19813744 0.78722997 0.79800020 1\n C C5 1 0.79315694 0.78418917 0.46160883 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45269000\n_cell_length_b 5.82515000\n_cell_length_c 11.10046000\n_cell_angle_alpha 99.30171000\n_cell_angle_beta 106.41985000\n_cell_angle_gamma 114.38679000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 131.33375211\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94265308 0.89353116 0.84007453 1\n C C1 1 0.04532614 0.32176912 0.94022612 1\n C C2 1 0.33458895 0.22665788 0.49093951 1\n C C3 1 0.71386242 0.35725318 0.02533212 1\n C C4 1 -0.09470854 0.50735884 0.72635318 1\n C C5 1 0.05669806 0.46213338 0.15753240 1\n C C6 1 0.90288569 0.94911953 0.37519378 1\n C C7 1 0.64494636 0.26747643 0.30277164 1\n C C8 1 0.20472548 0.77045578 0.36953677 1\n C C9 1 0.83968921 0.72349344 0.92744413 1\n C C10 1 0.55102061 0.66518502 0.71376153 1\n C C11 1 0.06598101 -0.13350195 1.06733979 1\n C C12 1 -0.06686976 0.36919750 0.45205224 1\n C C13 1 -0.40643582 0.04935872 -0.16991812 1\n C C14 1 0.52417956 0.24003840 0.63082273 1\n C C15 1 0.72635825 0.50104968 0.24161676 1\n C C16 1 0.59913335 0.82551548 0.62248233 1\n C C17 1 0.70448367 0.93189535 0.13064621 1\n C C18 1 1.25873252 0.66175751 0.48418215 1\n C C19 1 0.94756039 0.09092074 0.26861349 1\n C C20 1 0.12894301 0.54999993 0.87966848 1\n C C21 1 0.34883675 1.00892676 0.67423365 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47309000\n_cell_length_b 3.23375000\n_cell_length_c 6.99800000\n_cell_angle_alpha 54.15262000\n_cell_angle_beta 57.99982000\n_cell_angle_gamma 67.50976000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.25847431\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31389630 0.43297741 0.12561312 1\n C C1 1 0.41197546 1.00930179 0.53493655 1\n C C2 1 0.00928757 0.15805572 0.75407201 1\n C C3 1 0.06435241 0.16272266 0.38206764 1\n C C4 1 0.96702996 0.58593840 0.97258178 1\n C C5 1 0.37145610 0.43647842 0.75321051 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47778000\n_cell_length_b 2.47818000\n_cell_length_c 6.31205000\n_cell_angle_alpha 101.32636000\n_cell_angle_beta 78.67794000\n_cell_angle_gamma 120.01081000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68811716\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73208630 0.06886872 0.41843609 1\n C C1 1 0.37176373 0.43100177 0.50230627 1\n C C2 1 0.29018312 0.51636388 0.75306446 1\n C C3 1 0.81585028 0.98559024 0.16723918 1\n C C4 1 0.59576589 0.21059530 0.83602631 1\n C C5 1 0.51132038 0.29189997 0.08349718 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43537000\n_cell_length_b 3.84014000\n_cell_length_c 8.36876000\n_cell_angle_alpha 130.73681000\n_cell_angle_beta 90.03736000\n_cell_angle_gamma 90.10479000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.30306338\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11653659 0.44800864 0.45939166 1\n C C1 1 0.38350039 0.44653342 0.04196495 1\n C C2 1 0.88364522 0.44649637 0.79196640 1\n C C3 1 0.38348743 0.44819539 0.20944367 1\n C C4 1 0.38351187 0.44769891 0.70930808 1\n C C5 1 0.88363936 0.44691302 0.29209589 1\n C C6 1 -0.11663764 0.44787181 0.95933676 1\n C C7 1 0.38361787 0.44665325 0.54201448 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.92951000\n_cell_length_b 3.63933000\n_cell_length_c 4.73137000\n_cell_angle_alpha 101.40744000\n_cell_angle_beta 106.14389000\n_cell_angle_gamma 107.83700000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.86108597\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87151682 0.30226846 0.39941774 1\n C C1 1 0.36617765 0.74050495 0.89999150 1\n C C2 1 0.06510426 0.70649619 0.59092740 1\n C C3 1 0.56072045 1.14508380 0.09132290 1\n C C4 1 0.06584830 0.08753690 0.59194998 1\n C C5 1 0.36493401 0.35935001 0.89900167 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43330000\n_cell_length_b 4.16731000\n_cell_length_c 6.47637000\n_cell_angle_alpha 96.53849000\n_cell_angle_beta 100.77828000\n_cell_angle_gamma 90.01405000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 64.07861842\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63936136 0.62350500 0.26130924 1\n C C1 1 0.42503763 0.68088810 0.82571273 1\n C C2 1 -0.24950538 0.62546360 0.48449831 1\n C C3 1 0.97145112 0.54910997 0.91998928 1\n C C4 1 0.44843033 1.03495157 0.86574806 1\n C C5 1 0.30386260 0.62751616 0.59152090 1\n C C6 1 0.08616684 0.61634048 0.15370469 1\n C C7 1 0.95692678 0.19443142 -0.11701702 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.82573000\n_cell_length_b 3.62422000\n_cell_length_c 4.81491000\n_cell_angle_alpha 112.09689000\n_cell_angle_beta 91.29741000\n_cell_angle_gamma 86.04372000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.57879637\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64657334 0.70808220 0.43982844 1\n C C1 1 0.64598125 0.08964534 0.44003963 1\n C C2 1 0.64650852 0.64950151 0.94067331 1\n C C3 1 0.64649911 0.43566605 0.13203726 1\n C C4 1 -0.35342905 0.49454936 0.63134015 1\n C C5 1 0.64719643 0.05444964 0.13224711 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.01716000\n_cell_length_b 4.86808000\n_cell_length_c 5.65929000\n_cell_angle_alpha 48.34754000\n_cell_angle_beta 61.84647000\n_cell_angle_gamma 76.29635000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.41380421\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73205242 0.83182606 0.59603962 1\n C C1 1 0.37393382 0.98934144 0.19744934 1\n C C2 1 0.35406439 0.70410520 0.84750246 1\n C C3 1 0.60122741 0.45868308 0.35068120 1\n C C4 1 0.21998152 0.34983573 0.59472467 1\n C C5 1 0.71146589 0.84129383 0.10338730 1\n C C6 1 0.22355389 0.32326985 1.10454766 1\n C C7 1 1.08917560 -0.03099628 0.85165137 1\n C C8 1 0.84189740 0.21450460 0.34833690 1\n C C9 1 1.06995556 0.68383609 0.50226928 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49176000\n_cell_length_b 2.49386000\n_cell_length_c 8.44092000\n_cell_angle_alpha 88.04044000\n_cell_angle_beta 89.72269000\n_cell_angle_gamma 92.06730000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.38696438\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45700723 0.77449046 0.43379644 1\n C C1 1 0.45658485 0.77362512 0.60746216 1\n C C2 1 0.95550422 0.78251287 0.68678764 1\n C C3 1 0.45312451 -0.19923221 1.10683588 1\n C C4 1 0.45441956 0.29291513 0.18667988 1\n C C5 1 0.95391855 0.79398414 0.85415342 1\n C C6 1 0.45599365 0.28254224 0.35403923 1\n C C7 1 0.45282794 0.80186266 0.93355035 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.18874000\n_cell_length_b 3.41303000\n_cell_length_c 5.51004000\n_cell_angle_alpha 86.87273000\n_cell_angle_beta 65.52564000\n_cell_angle_gamma 105.91889000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.66085495\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36841536 0.27103885 0.91597469 1\n C C1 1 0.72307544 0.96875390 0.59921694 1\n C C2 1 0.37254020 0.06494263 0.68482929 1\n C C3 1 1.03153670 0.65075290 -0.21622908 1\n C C4 1 1.02253068 0.39115413 1.03714670 1\n C C5 1 0.72759385 0.76191768 0.36768602 1\n C C6 1 0.07362841 0.64207281 0.24705272 1\n C C7 1 0.65179886 0.09274418 0.21476250 1\n C C8 1 0.44405304 0.93968540 0.06842945 1\n C C9 1 0.06371490 0.38186330 0.50089779 1\n C C10 1 0.66183182 0.70423428 0.84683044 1\n C C11 1 0.43400694 0.32840986 0.43673805 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48046000\n_cell_length_b 3.68839000\n_cell_length_c 4.83459000\n_cell_angle_alpha 68.58611000\n_cell_angle_beta 104.85600000\n_cell_angle_gamma 70.32681000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.95664028\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11111054 0.68039536 0.79493989 1\n C C1 1 0.13367941 0.33546756 0.49712949 1\n C C2 1 0.83596733 0.15318272 0.71930103 1\n C C3 1 0.15030820 0.09610133 0.29047404 1\n C C4 1 0.86010065 0.80838793 0.42136330 1\n C C5 1 0.81959797 0.39299801 -0.07425935 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42912000\n_cell_length_b 3.84974000\n_cell_length_c 4.47116000\n_cell_angle_alpha 128.73769000\n_cell_angle_beta 106.16454000\n_cell_angle_gamma 82.54739000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.14219828\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10688785 0.40682973 0.48766506 1\n C C1 1 0.58525562 1.05999991 0.83437985 1\n C C2 1 0.08496645 0.00178316 0.27447297 1\n C C3 1 0.89206819 0.78795332 0.86797691 1\n C C4 1 0.58436934 0.44061357 0.21496470 1\n C C5 1 0.39253235 0.84576690 0.42768252 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63065000\n_cell_length_b 4.23216000\n_cell_length_c 3.28113000\n_cell_angle_alpha 84.67603000\n_cell_angle_beta 75.44124000\n_cell_angle_gamma 48.33010000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25782834\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21505566 0.15316878 -0.04951966 1\n C C1 1 0.30324268 0.30167304 0.52405503 1\n C C2 1 0.41730052 0.56937936 0.57902349 1\n C C3 1 0.66466817 0.94064977 0.16218166 1\n C C4 1 0.85387879 0.51413811 0.31083198 1\n C C5 1 0.10166608 0.88530073 0.89626241 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48125000\n_cell_length_b 4.84397000\n_cell_length_c 4.21950000\n_cell_angle_alpha 47.40865000\n_cell_angle_beta 89.99331000\n_cell_angle_gamma 104.84553000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00053941\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02550735 0.42751527 0.76063544 1\n C C1 1 0.14346472 0.67049191 0.89041181 1\n C C2 1 0.56506781 0.51374017 0.17811932 1\n C C3 1 0.60390426 0.58426701 0.47292792 1\n C C4 1 0.34424912 1.06849734 0.41688691 1\n C C5 1 0.82472295 0.02950984 0.23416033 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23244000\n_cell_length_b 3.63075000\n_cell_length_c 3.28046000\n_cell_angle_alpha 75.44424000\n_cell_angle_beta 84.67680000\n_cell_angle_gamma 48.30687000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.24080348\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11229823 0.22267260 0.64402612 1\n C C1 1 0.32428343 0.77377243 0.43020356 1\n C C2 1 0.68533365 0.41230514 0.79093299 1\n C C3 1 0.47318924 0.86098939 1.00471430 1\n C C4 1 0.05723075 0.65904342 0.37624574 1\n C C5 1 0.74104810 -0.02498079 0.05845039 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54758000\n_cell_length_b 4.75393000\n_cell_length_c 6.61415000\n_cell_angle_alpha 90.17961000\n_cell_angle_beta 67.65472000\n_cell_angle_gamma 89.34434000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.08175394\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73877625 0.02825052 0.94909276 1\n C C1 1 0.11730421 0.95655933 0.07315004 1\n C C2 1 0.88545229 0.27902206 0.79994079 1\n C C3 1 0.52985479 0.87340554 0.65450661 1\n C C4 1 -0.23809640 0.79682825 0.42567993 1\n C C5 1 0.76314563 0.55156403 0.92737240 1\n C C6 1 0.76954397 0.28557407 0.41582270 1\n C C7 1 -0.11294456 1.03362333 0.30165678 1\n C C8 1 1.12420104 0.61526206 1.06850254 1\n C C9 1 0.52332254 0.21490885 0.65977015 1\n C C10 1 0.90865443 -0.19765844 0.77871454 1\n C C11 1 -0.12095369 0.54445251 0.31248826 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47518000\n_cell_length_b 3.72185000\n_cell_length_c 4.24847000\n_cell_angle_alpha 64.01635000\n_cell_angle_beta 90.01316000\n_cell_angle_gamma 90.00917000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18186087\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24267527 0.05049168 0.48855072 1\n C C1 1 0.74248494 0.66177798 0.26594647 1\n C C2 1 0.24261059 0.45919617 0.48843963 1\n C C3 1 0.24264248 0.61597258 0.76647693 1\n C C4 1 0.74241278 0.07058825 0.26562796 1\n C C5 1 0.74266233 0.50537583 0.98767840 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52955000\n_cell_length_b 5.31588000\n_cell_length_c 4.72024000\n_cell_angle_alpha 78.50547000\n_cell_angle_beta 90.05563000\n_cell_angle_gamma 90.01777000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.19900683\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06418119 0.47468297 1.02254958 1\n C C1 1 0.06531404 0.24276832 0.26037401 1\n C C2 1 0.56651836 0.09836739 0.70047891 1\n C C3 1 0.56559911 0.07269594 0.23785169 1\n C C4 1 0.56582047 0.89409118 0.52457191 1\n C C5 1 0.06617086 0.76813658 0.97301953 1\n C C6 1 0.06584588 0.75309973 0.63812355 1\n C C7 1 1.06638688 0.25220770 0.59839379 1\n C C8 1 0.56647570 -0.07128161 0.99805293 1\n C C9 1 0.06493650 0.47382130 0.73732798 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.72843000\n_cell_length_b 3.72854000\n_cell_length_c 3.72869000\n_cell_angle_alpha 109.48401000\n_cell_angle_beta 109.49079000\n_cell_angle_gamma 109.48805000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.87817445\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01499015 0.71452142 0.44174947 1\n C C1 1 0.26548895 0.96517136 0.94179687 1\n C C2 1 0.26438649 0.71486170 0.19140410 1\n C C3 1 0.01554666 0.21469131 0.94205151 1\n C C4 1 0.76447538 0.96438154 0.44206577 1\n C C5 1 0.76551256 0.21445467 0.19222638 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48514000\n_cell_length_b 5.12441000\n_cell_length_c 5.64667000\n_cell_angle_alpha 56.60479000\n_cell_angle_beta 89.95430000\n_cell_angle_gamma 89.97090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.03690229\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61182742 0.44272789 -0.01437815 1\n C C1 1 0.61193675 0.24279635 0.87594636 1\n C C2 1 0.11197294 0.04737571 0.97402607 1\n C C3 1 0.11205443 0.96065584 0.28634305 1\n C C4 1 0.61198475 0.14038832 0.29330887 1\n C C5 1 0.61210455 0.13985147 0.56173189 1\n C C6 1 0.11190103 0.63088272 0.53095961 1\n C C7 1 0.11200662 0.63084254 0.83429872 1\n C C8 1 0.61203037 0.44286368 0.56701041 1\n C C9 1 1.11185124 -0.03935073 0.74827219 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48180000\n_cell_length_b 4.69640000\n_cell_length_c 6.86706000\n_cell_angle_alpha 71.33896000\n_cell_angle_beta 90.05520000\n_cell_angle_gamma 74.64363000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.80158002\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57788117 0.52773056 0.66169419 1\n C C1 1 0.64749322 0.38871771 0.35453374 1\n C C2 1 0.47302429 0.73435584 0.76469804 1\n C C3 1 0.36342810 0.96339280 0.30683935 1\n C C4 1 0.47599465 0.73064612 0.97924067 1\n C C5 1 0.30661083 0.06916133 0.65819131 1\n C C6 1 0.75199695 0.18000713 0.74924559 1\n C C7 1 0.86942494 0.94702485 0.98017872 1\n C C8 1 0.52633217 0.63886537 0.44227353 1\n C C9 1 0.80519949 0.07534267 0.15933233 1\n C C10 1 1.25009685 0.18568927 0.43146579 1\n C C11 1 0.63018625 0.42281374 0.13479944 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49038000\n_cell_length_b 4.07716000\n_cell_length_c 7.78998000\n_cell_angle_alpha 105.23205000\n_cell_angle_beta 89.98857000\n_cell_angle_gamma 89.99051000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.31824192\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15013908 0.44245648 0.74063152 1\n C C1 1 0.65065696 1.02658964 0.50357732 1\n C C2 1 0.15031497 0.32262197 0.09374208 1\n C C3 1 0.15041894 0.84698562 0.74056498 1\n C C4 1 0.65008726 0.50143183 0.85708579 1\n C C5 1 0.65023018 0.26862960 -0.01454747 1\n C C6 1 1.15103499 0.58708580 0.26768814 1\n C C7 1 0.15049579 0.08017614 0.61212767 1\n C C8 1 0.65034992 0.90610405 0.85706592 1\n C C9 1 0.65084171 0.11882259 0.32964393 1\n C C10 1 0.15079925 0.23185691 0.26791643 1\n C C11 1 0.65103907 0.76329247 0.32897819 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48672000\n_cell_length_b 2.48654000\n_cell_length_c 5.55924000\n_cell_angle_alpha 102.92854000\n_cell_angle_beta 102.92660000\n_cell_angle_gamma 89.97755000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60950398\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46257811 0.46479855 0.83237159 1\n C C1 1 0.37915016 0.88136288 0.66565261 1\n C C2 1 0.79591144 0.79813188 0.49903826 1\n C C3 1 0.71248349 0.21469622 0.33231928 1\n C C4 1 1.04581683 0.54802955 0.99898594 1\n C C5 1 0.12924477 0.13146522 0.16570492 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47307000\n_cell_length_b 5.30732000\n_cell_length_c 5.77091000\n_cell_angle_alpha 108.43791000\n_cell_angle_beta 94.73836000\n_cell_angle_gamma 118.42508000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.21087132\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32004094 0.27052103 1.00591989 1\n C C1 1 0.81524534 0.55300370 0.63086031 1\n C C2 1 0.14438008 0.66965457 0.87713337 1\n C C3 1 0.06173137 0.79926157 0.12268102 1\n C C4 1 0.35704242 0.23280100 0.54417025 1\n C C5 1 0.46956742 0.99026273 0.36056788 1\n C C6 1 0.75502137 0.83059352 0.66097237 1\n C C7 1 0.97147511 1.04672338 0.09287622 1\n C C8 1 0.47035499 0.73089369 0.40984952 1\n C C9 1 0.56678888 0.85544070 0.87712614 1\n C C10 1 0.98527902 0.50626690 0.39287389 1\n C C11 1 0.93799334 0.19811418 0.34442367 1\n C C12 1 0.68964937 0.56633216 0.21035720 1\n C C13 1 0.19173914 0.14133087 0.74871999 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48674000\n_cell_length_b 4.53074000\n_cell_length_c 7.23079000\n_cell_angle_alpha 82.23575000\n_cell_angle_beta 58.92409000\n_cell_angle_gamma 74.06173000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.09127048\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49611102 0.35092655 0.74836501 1\n C C1 1 0.28934802 0.89382434 0.70543532 1\n C C2 1 0.61786594 0.59594418 0.58577782 1\n C C3 1 0.38242477 0.51955283 0.10198550 1\n C C4 1 0.26459289 0.87736501 0.06125044 1\n C C5 1 0.21770508 -0.02571948 0.39307057 1\n C C6 1 0.32484822 0.61603443 0.44088314 1\n C C7 1 0.73385900 0.42571954 0.23224483 1\n C C8 1 -0.21002650 0.32899243 0.89326781 1\n C C9 1 0.85368594 0.06726217 0.27185830 1\n C C10 1 -0.17409872 0.05356376 0.62774073 1\n C C11 1 0.89839284 0.97153293 0.94023342 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45080000\n_cell_length_b 3.94391000\n_cell_length_c 7.12879000\n_cell_angle_alpha 126.83364000\n_cell_angle_beta 121.03201000\n_cell_angle_gamma 89.95884000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.21201334\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50026391 0.06646990 0.68912982 1\n C C1 1 0.29280445 0.78635927 0.88439854 1\n C C2 1 1.08789151 0.93891715 0.74746897 1\n C C3 1 0.87991220 0.65869364 0.94243133 1\n C C4 1 0.33991606 0.83010510 0.24889864 1\n C C5 1 0.04035398 -0.10440295 0.38280619 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48396000\n_cell_length_b 4.68262000\n_cell_length_c 4.09785000\n_cell_angle_alpha 83.04465000\n_cell_angle_beta 89.53576000\n_cell_angle_gamma 74.47622000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.57239860\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09694584 0.92527360 0.18827463 1\n C C1 1 0.77005296 0.58038619 0.89515650 1\n C C2 1 0.48391699 0.15301704 0.65610116 1\n C C3 1 0.82868185 0.46632752 0.25045388 1\n C C4 1 0.25399909 0.61015549 0.36899141 1\n C C5 1 -0.01366741 0.15120144 0.43061163 1\n C C6 1 0.31415453 0.49434933 0.72457120 1\n C C7 1 0.60006224 -0.07734622 0.96257509 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.75118000\n_cell_length_b 4.66454000\n_cell_length_c 5.76916000\n_cell_angle_alpha 51.77893000\n_cell_angle_beta 91.40188000\n_cell_angle_gamma 93.70511000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.03157994\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30015026 0.52723435 0.24968132 1\n C C1 1 0.30022850 0.39971079 0.53918505 1\n C C2 1 0.30020925 0.21272627 1.01090620 1\n C C3 1 0.30073564 0.89733042 0.01691196 1\n C C4 1 0.30004657 0.52743434 0.70153088 1\n C C5 1 0.30066222 0.89679511 0.56445610 1\n C C6 1 0.30047939 0.02392132 0.72737493 1\n C C7 1 0.30053088 0.21209270 0.25511685 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50278000\n_cell_length_b 4.19685000\n_cell_length_c 5.54546000\n_cell_angle_alpha 81.24442000\n_cell_angle_beta 89.34495000\n_cell_angle_gamma 90.33378000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.56412431\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10373758 0.43315979 0.80404945 1\n C C1 1 0.24312019 0.45037710 0.29949950 1\n C C2 1 0.74054166 0.60683294 0.16740365 1\n C C3 1 0.50276208 0.92941089 0.78473974 1\n C C4 1 0.61120004 0.58385623 0.90180460 1\n C C5 1 0.21613685 0.56675052 0.54077334 1\n C C6 1 0.33844590 0.08392534 0.29003815 1\n C C7 1 0.37854836 0.87499156 0.53199134 1\n C C8 1 -0.00620086 1.08194488 0.87730236 1\n C C9 1 0.85517680 -0.02234214 1.15708578 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48745000\n_cell_length_b 5.17868000\n_cell_length_c 7.02691000\n_cell_angle_alpha 108.60709000\n_cell_angle_beta 100.25313000\n_cell_angle_gamma 118.64786000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.06759004\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48611712 -0.05375871 0.35995752 1\n C C1 1 0.53781663 0.35151143 0.65277827 1\n C C2 1 0.10288056 0.99282175 0.49957710 1\n C C3 1 -0.01263993 0.81527148 0.62688341 1\n C C4 1 0.06765859 0.64362859 0.13127386 1\n C C5 1 0.55074157 0.45396123 0.47603819 1\n C C6 1 0.92253728 0.05853699 0.01250566 1\n C C7 1 0.57076324 0.69949284 0.02450066 1\n C C8 1 0.59043560 0.85122314 0.76169791 1\n C C9 1 0.68544346 0.26774905 0.11909629 1\n C C10 1 0.82653368 0.29492061 0.34661539 1\n C C11 1 0.26572650 0.51703031 0.77641634 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.96615000\n_cell_length_b 3.61157000\n_cell_length_c 4.82689000\n_cell_angle_alpha 68.21655000\n_cell_angle_beta 109.05666000\n_cell_angle_gamma 98.85692000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.35241507\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81062108 0.34388283 0.08094735 1\n C C1 1 0.80990628 0.72513434 0.08036107 1\n C C2 1 0.80314351 0.37836318 0.76986487 1\n C C3 1 0.80414264 0.99711468 0.77031214 1\n C C4 1 0.80165233 0.78275485 0.57876081 1\n C C5 1 0.81207137 0.93962881 0.27166365 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43235000\n_cell_length_b 4.20274000\n_cell_length_c 5.94364000\n_cell_angle_alpha 86.05147000\n_cell_angle_beta 72.35280000\n_cell_angle_gamma 89.80765000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.75257654\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20415383 0.17576302 0.83120520 1\n C C1 1 0.70309586 0.00834483 0.83200914 1\n C C2 1 0.95839209 0.39279628 0.33137854 1\n C C3 1 0.20312996 0.50839788 0.83201160 1\n C C4 1 -0.04261309 0.72543969 0.33204633 1\n C C5 1 0.45831393 0.89279317 0.33138093 1\n C C6 1 0.45729849 0.22545739 0.33204619 1\n C C7 1 0.70413083 0.67570634 0.83120618 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44557000\n_cell_length_b 5.79849000\n_cell_length_c 5.74108000\n_cell_angle_alpha 85.08784000\n_cell_angle_beta 102.51574000\n_cell_angle_gamma 101.77184000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.73271878\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89024622 0.71106409 0.86554096 1\n C C1 1 0.82539694 0.18196618 0.25800225 1\n C C2 1 0.23158845 0.77501033 0.49624134 1\n C C3 1 0.57395598 0.32419305 0.61271038 1\n C C4 1 0.47503809 0.54238335 0.20388498 1\n C C5 1 0.34137926 0.55270796 0.91923216 1\n C C6 1 0.65723204 0.01728313 0.09658284 1\n C C7 1 0.42399525 0.29379717 0.34240911 1\n C C8 1 0.15379499 0.36569733 0.72843200 1\n C C9 1 0.79871027 0.78793536 0.61343224 1\n C C10 1 1.07221555 0.88453893 0.05823635 1\n C C11 1 0.07116936 0.68502471 0.25827800 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.90777000\n_cell_length_b 4.72768000\n_cell_length_c 3.61946000\n_cell_angle_alpha 106.16798000\n_cell_angle_beta 99.48540000\n_cell_angle_gamma 106.06349000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.31832344\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94020195 0.17094606 1.00791932 1\n C C1 1 0.24035890 0.48125277 0.66080838 1\n C C2 1 0.75041266 -0.02010158 0.60389473 1\n C C3 1 0.24036552 0.48137090 0.04170977 1\n C C4 1 -0.05976389 0.17133773 0.38867256 1\n C C5 1 0.43177756 0.67256531 0.44569654 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49102000\n_cell_length_b 3.59313000\n_cell_length_c 4.35312000\n_cell_angle_alpha 95.69626000\n_cell_angle_beta 106.62908000\n_cell_angle_gamma 69.70109000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01476362\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45236551 1.12098091 0.47324726 1\n C C1 1 0.97549613 0.49079816 0.89122515 1\n C C2 1 0.08216828 0.86140985 0.47328250 1\n C C3 1 0.37035567 0.49063467 0.67909424 1\n C C4 1 0.26442781 0.12113463 0.09732932 1\n C C5 1 -0.10652411 0.86165918 0.09708454 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.28411000\n_cell_length_b 4.19440000\n_cell_length_c 4.61934000\n_cell_angle_alpha 88.48367000\n_cell_angle_beta 92.70349000\n_cell_angle_gamma 58.79481000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.79163415\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07975526 0.38239943 0.27129362 1\n C C1 1 0.88312609 0.64805225 0.47380221 1\n C C2 1 0.68192827 0.58088581 0.67293217 1\n C C3 1 0.47892781 0.18255375 0.87046814 1\n C C4 1 0.27759376 0.78349739 0.06948777 1\n C C5 1 0.47987156 0.84985626 0.87095406 1\n C C6 1 0.27851058 0.45066488 0.07004259 1\n C C7 1 0.88245856 -0.01925244 0.47335022 1\n C C8 1 0.68304580 0.24809021 0.67372000 1\n C C9 1 0.08066111 1.04950337 0.27185322 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45391000\n_cell_length_b 4.58998000\n_cell_length_c 5.35892000\n_cell_angle_alpha 84.53002000\n_cell_angle_beta 89.98244000\n_cell_angle_gamma 74.54430000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.89211255\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.26087752 0.96832486 0.56730699 1\n C C1 1 0.22518387 -0.00704108 0.14610653 1\n C C2 1 0.34244454 0.76602176 0.96981923 1\n C C3 1 0.28515965 0.87718234 0.41693750 1\n C C4 1 0.48587987 0.47051310 0.13614617 1\n C C5 1 1.06755748 0.30531078 1.05175915 1\n C C6 1 0.56690578 0.31188506 0.62180487 1\n C C7 1 0.45423372 0.53793573 0.39566031 1\n C C8 1 1.02510843 0.39700309 0.76840022 1\n C C9 1 0.85203718 0.74785067 0.80336794 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52398000\n_cell_length_b 4.44869000\n_cell_length_c 4.37065000\n_cell_angle_alpha 106.09972000\n_cell_angle_beta 85.81507000\n_cell_angle_gamma 99.13958000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.53045086\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40622503 0.82626657 0.02345508 1\n C C1 1 0.69539188 0.13837118 0.53274940 1\n C C2 1 0.48495628 0.80765965 0.38319877 1\n C C3 1 0.64326761 0.32134857 0.82057696 1\n C C4 1 -0.07767608 0.30274874 0.29602245 1\n C C5 1 0.94750040 0.65180072 0.47613984 1\n C C6 1 0.44290382 0.19244632 0.08930505 1\n C C7 1 0.86903637 0.66536936 0.84370794 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.75649000\n_cell_length_b 3.85168000\n_cell_length_c 4.37221000\n_cell_angle_alpha 87.31322000\n_cell_angle_beta 103.64398000\n_cell_angle_gamma 105.87366000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.12065229\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12156875 -0.03116099 0.60324500 1\n C C1 1 0.98893340 0.19457985 0.36952020 1\n C C2 1 -0.01224008 0.73598509 0.83354424 1\n C C3 1 0.48605960 -0.02834148 0.60510065 1\n C C4 1 0.61669524 0.74156260 0.83596430 1\n C C5 1 0.30434002 0.34760353 0.22361546 1\n C C6 1 0.61814168 0.20043808 0.37205853 1\n C C7 1 0.30110689 0.58697132 0.98142602 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42582000\n_cell_length_b 4.81032000\n_cell_length_c 6.20205000\n_cell_angle_alpha 67.78317000\n_cell_angle_beta 78.69759000\n_cell_angle_gamma 59.54702000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.75501389\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46238208 1.15723183 0.64975585 1\n C C1 1 0.27838634 0.98640133 0.35962313 1\n C C2 1 0.86595469 0.20524508 0.74799013 1\n C C3 1 0.38844181 -0.00409942 0.11302622 1\n C C4 1 0.74602608 0.19693988 0.99507512 1\n C C5 1 0.68288665 1.03392233 0.45785915 1\n C C6 1 0.39179772 0.52546695 1.04058942 1\n C C7 1 0.73701794 0.66555254 0.07119508 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.50224000\n_cell_length_b 5.69094000\n_cell_length_c 3.34249000\n_cell_angle_alpha 80.45267000\n_cell_angle_beta 66.45827000\n_cell_angle_gamma 80.80545000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.90534656\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85426202 -0.01350527 0.89977442 1\n C C1 1 0.35599393 0.21796864 0.39380363 1\n C C2 1 0.22692460 0.98675267 0.52847756 1\n C C3 1 -0.15416200 0.44962267 -0.10884932 1\n C C4 1 0.53974365 0.83715025 0.21283584 1\n C C5 1 0.53035025 0.60009352 0.20410132 1\n C C6 1 0.21826476 0.44986628 0.52012797 1\n C C7 1 0.71786948 0.21811494 1.02776589 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44331000\n_cell_length_b 3.40339000\n_cell_length_c 7.21704000\n_cell_angle_alpha 96.75079000\n_cell_angle_beta 90.16358000\n_cell_angle_gamma 68.75995000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.49787111\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98433829 0.80622732 1.01013311 1\n C C1 1 0.87465320 0.02667679 0.19510589 1\n C C2 1 0.61153643 0.56140724 0.72063992 1\n C C3 1 0.31957766 1.13238232 0.28418216 1\n C C4 1 0.82424593 0.13032962 0.58055097 1\n C C5 1 0.54054263 0.69940204 0.92117225 1\n C C6 1 1.04192048 0.69783750 0.62380406 1\n C C7 1 0.25464397 0.26709336 0.48420794 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48505000\n_cell_length_b 4.70042000\n_cell_length_c 9.17192000\n_cell_angle_alpha 107.19612000\n_cell_angle_beta 89.66490000\n_cell_angle_gamma 65.98620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.50547868\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03511485 -0.06697952 0.42486846 1\n C C1 1 0.49241436 0.04698430 0.20044570 1\n C C2 1 0.44238927 0.06627235 0.37023280 1\n C C3 1 0.38289823 0.07248796 0.69071478 1\n C C4 1 0.42035725 0.50823954 0.09662727 1\n C C5 1 0.69347487 0.25921901 0.94144310 1\n C C6 1 0.87721061 0.12162189 0.60195760 1\n C C7 1 1.11966617 0.86977707 0.11292766 1\n C C8 1 0.68891470 0.45662148 0.57808223 1\n C C9 1 0.60829341 0.73984248 0.71003831 1\n C C10 1 0.19227396 0.58825787 0.36632656 1\n C C11 1 0.05665462 0.89210984 0.94927317 1\n C C12 1 0.12412490 0.32624993 0.85478762 1\n C C13 1 0.21592770 0.41901394 0.47307242 1\n C C14 1 0.72749705 0.70306998 0.86235127 1\n C C15 1 0.32659642 0.40111418 0.21484775 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.49467000\n_cell_length_b 2.69866000\n_cell_length_c 4.70262000\n_cell_angle_alpha 107.00966000\n_cell_angle_beta 102.54442000\n_cell_angle_gamma 76.00919000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.26389672\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94571286 0.46638314 0.57233327 1\n C C1 1 0.17440591 0.41461070 0.81282193 1\n C C2 1 0.46458766 0.59302799 0.29301955 1\n C C3 1 0.49153719 0.13064280 0.80981916 1\n C C4 1 0.65490704 0.28649950 0.09390409 1\n C C5 1 0.62825095 0.75000890 0.57655066 1\n C C6 1 0.14074226 0.64528997 0.14623320 1\n C C7 1 0.97914633 0.23320010 0.23869923 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44760000\n_cell_length_b 6.06076000\n_cell_length_c 10.92398000\n_cell_angle_alpha 67.74659000\n_cell_angle_beta 92.96220000\n_cell_angle_gamma 100.97935000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 147.19743119\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73935536 0.30008345 0.54974705 1\n C C1 1 0.74516503 0.28459752 0.19279744 1\n C C2 1 0.20811022 0.17529632 0.02140093 1\n C C3 1 0.37264684 0.62358960 0.19588156 1\n C C4 1 0.70126315 0.17788660 -0.04283755 1\n C C5 1 0.21074936 0.21968254 0.75550214 1\n C C6 1 0.35844552 0.52115824 0.34473230 1\n C C7 1 -0.21055051 0.65319174 -0.00645909 1\n C C8 1 1.23217673 0.27134597 0.61744447 1\n C C9 1 1.07295802 -0.07779120 0.26986502 1\n C C10 1 -0.27032887 0.17862094 0.34724802 1\n C C11 1 0.70976702 0.20258369 0.82272219 1\n C C12 1 0.70690227 0.72436992 0.72668062 1\n C C13 1 0.67697599 0.79353109 0.58771544 1\n C C14 1 0.79845862 0.38097578 0.40266852 1\n C C15 1 0.82478186 0.56209224 0.13931908 1\n C C16 1 0.17568347 0.84915995 0.52013701 1\n C C17 1 0.27577210 0.67688170 0.92746767 1\n C C18 1 0.49996969 0.78638362 0.27007020 1\n C C19 1 0.22485198 0.71136468 0.79199492 1\n C C20 1 0.19381387 0.17449423 0.15657067 1\n C C21 1 0.17095088 0.01862866 0.38180568 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47961000\n_cell_length_b 2.56468000\n_cell_length_c 5.73103000\n_cell_angle_alpha 89.70980000\n_cell_angle_beta 77.54287000\n_cell_angle_gamma 90.02194000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.58742826\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53259667 0.32670887 0.41777459 1\n C C1 1 -0.12711859 0.82309655 0.73326576 1\n C C2 1 0.18624374 0.83020233 0.11292677 1\n C C3 1 0.61418821 0.82984718 0.25697976 1\n C C4 1 0.30006243 0.82387145 0.87802677 1\n C C5 1 0.95439035 0.32461821 0.57270445 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51151000\n_cell_length_b 4.28914000\n_cell_length_c 6.65702000\n_cell_angle_alpha 79.36084000\n_cell_angle_beta 75.11049000\n_cell_angle_gamma 86.81699000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.10921557\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47978188 0.61012187 -0.01596852 1\n C C1 1 0.27915520 0.18699159 0.31220928 1\n C C2 1 -0.03500088 0.10797981 -0.00834948 1\n C C3 1 0.30424584 0.54525644 0.23363643 1\n C C4 1 0.73798056 0.69737831 0.30881786 1\n C C5 1 0.19271651 1.03472939 0.54990407 1\n C C6 1 0.37319501 0.45619048 0.68560181 1\n C C7 1 0.04721401 0.45793720 0.90827844 1\n C C8 1 0.41843965 0.69832631 0.53167227 1\n C C9 1 0.82395848 0.04755315 0.22550851 1\n C C10 1 0.51198657 0.96873048 0.90498112 1\n C C11 1 0.60306196 0.11996777 0.66743821 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.54403000\n_cell_length_b 3.16262000\n_cell_length_c 5.69524000\n_cell_angle_alpha 87.09093000\n_cell_angle_beta 87.32162000\n_cell_angle_gamma 67.76599000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.98598093\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98731355 0.29323920 0.15204076 1\n C C1 1 0.67483060 0.60765412 1.00256988 1\n C C2 1 0.30057826 0.97475875 1.00244287 1\n C C3 1 0.30579934 0.98032342 0.54078095 1\n C C4 1 0.99319126 0.29755036 0.39012286 1\n C C5 1 0.16888615 0.10729910 0.77190974 1\n C C6 1 -0.19015754 0.47782513 0.77180374 1\n C C7 1 0.68047089 0.61328712 0.54112939 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32110000\n_cell_length_b 4.83761000\n_cell_length_c 4.83852000\n_cell_angle_alpha 42.59648000\n_cell_angle_beta 46.63030000\n_cell_angle_gamma 46.62684000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.55803300\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74839495 0.05380706 0.83937583 1\n C C1 1 0.68286565 0.51763260 0.60755161 1\n C C2 1 0.71220485 0.51740059 -0.08823141 1\n C C3 1 0.04560685 0.82209862 0.60727660 1\n C C4 1 1.08172644 0.74905354 0.14370757 1\n C C5 1 0.11112216 0.05364080 0.14346431 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.00617000\n_cell_length_b 4.52080000\n_cell_length_c 5.69068000\n_cell_angle_alpha 74.54329000\n_cell_angle_beta 66.62032000\n_cell_angle_gamma 55.55497000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.45134138\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.33289436 0.81316799 0.89592533 1\n C C1 1 0.69420946 0.44979991 0.89720879 1\n C C2 1 0.51322550 0.63311573 0.51610790 1\n C C3 1 0.82769481 0.31887471 0.66616439 1\n C C4 1 0.19790713 0.94396419 0.12732992 1\n C C5 1 0.51008038 0.62967980 0.27813686 1\n C C6 1 0.82370247 0.31636643 0.12882294 1\n C C7 1 0.20191520 -0.05347026 0.66467166 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46207000\n_cell_length_b 4.94130000\n_cell_length_c 8.93138000\n_cell_angle_alpha 111.14937000\n_cell_angle_beta 73.95943000\n_cell_angle_gamma 119.87858000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.24021859\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.20727786 0.55937425 0.67796666 1\n C C1 1 -0.10873423 0.64844829 0.16500420 1\n C C2 1 1.15737576 0.36086029 0.61487339 1\n C C3 1 0.14429123 -0.13678905 0.62959673 1\n C C4 1 0.34099231 0.85604964 0.92666126 1\n C C5 1 0.79308396 0.04427083 0.66200765 1\n C C6 1 0.34309818 0.35281494 0.92163724 1\n C C7 1 0.88125600 0.15012569 0.17812565 1\n C C8 1 0.78816937 0.23386745 0.35719426 1\n C C9 1 0.69928531 0.16055928 0.87302530 1\n C C10 1 0.70122212 0.65614124 0.86675630 1\n C C11 1 0.25442506 0.27808649 0.43577583 1\n C C12 1 0.24533731 0.95160507 0.11575545 1\n C C13 1 0.24396457 0.46704111 0.13091139 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52307000\n_cell_length_b 4.98486000\n_cell_length_c 5.60217000\n_cell_angle_alpha 55.72323000\n_cell_angle_beta 89.98107000\n_cell_angle_gamma 89.98962000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.22242798\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99123651 0.20959009 0.63306016 1\n C C1 1 -0.00880739 0.20999638 0.14437086 1\n C C2 1 0.99145694 0.57569515 0.46278562 1\n C C3 1 0.99073171 0.72978480 0.62897052 1\n C C4 1 0.49169148 1.07642808 0.81886025 1\n C C5 1 -0.00833711 0.57587377 -0.05043883 1\n C C6 1 -0.00943364 1.05697650 0.46499925 1\n C C7 1 0.49200585 0.70768642 0.00372479 1\n C C8 1 0.49218330 0.70812418 0.27681457 1\n C C9 1 0.49198125 0.07716373 0.09179120 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47378000\n_cell_length_b 4.23412000\n_cell_length_c 5.45944000\n_cell_angle_alpha 90.02735000\n_cell_angle_beta 89.99251000\n_cell_angle_gamma 90.00355000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.18370359\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94693540 0.69537358 0.77886134 1\n C C1 1 0.94691778 0.69578581 0.25804025 1\n C C2 1 0.94670255 0.36417057 0.15199297 1\n C C3 1 0.44693517 0.34491789 0.51813670 1\n C C4 1 0.44660404 0.20742689 0.25626179 1\n C C5 1 0.44662511 0.20689139 0.77993972 1\n C C6 1 0.44694255 0.86732326 0.17125513 1\n C C7 1 -0.05291442 0.56570252 0.51836533 1\n C C8 1 0.94665712 0.36384257 0.88427936 1\n C C9 1 0.44693499 0.86696271 0.86565961 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51717000\n_cell_length_b 3.51671000\n_cell_length_c 3.31758000\n_cell_angle_alpha 89.99885000\n_cell_angle_beta 90.00249000\n_cell_angle_gamma 119.99088000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54036273\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37785659 0.31616096 0.90304471 1\n C C1 1 0.91459797 0.38960146 0.40301930 1\n C C2 1 0.68265117 0.62126775 0.23553522 1\n C C3 1 0.61014646 0.08496350 0.73542770 1\n C C4 1 0.37808831 0.62140223 0.57006469 1\n C C5 1 0.91440700 1.08485601 1.07012938 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43661000\n_cell_length_b 5.30135000\n_cell_length_c 6.86606000\n_cell_angle_alpha 104.24991000\n_cell_angle_beta 84.08929000\n_cell_angle_gamma 83.66025000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 84.65301421\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52401352 0.09592278 0.21577201 1\n C C1 1 0.42320715 0.68365453 0.48512638 1\n C C2 1 0.50097318 0.62940045 0.26638070 1\n C C3 1 0.05101652 0.57327020 0.16432754 1\n C C4 1 -0.11922777 1.10144850 0.67424331 1\n C C5 1 0.32084855 0.46664680 0.58661008 1\n C C6 1 0.60339899 0.04157403 -0.00270031 1\n C C7 1 1.13669101 0.43677104 0.94542256 1\n C C8 1 0.70068269 0.25820916 0.89650520 1\n C C9 1 0.88391382 0.28765210 0.53755614 1\n C C10 1 0.45268312 -0.07756230 0.64942729 1\n C C11 1 1.13922346 0.62285900 0.80888183 1\n C C12 1 0.97173815 0.15307666 0.31812358 1\n C C13 1 0.56816022 0.80200265 0.83368219 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.30561000\n_cell_length_b 4.79923000\n_cell_length_c 3.28732000\n_cell_angle_alpha 72.69625000\n_cell_angle_beta 49.03627000\n_cell_angle_gamma 63.31472000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.83009002\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68074682 0.03469972 0.04296767 1\n C C1 1 0.31992901 0.71538314 1.08399401 1\n C C2 1 0.68076959 0.53468946 0.54289031 1\n C C3 1 0.68059114 0.71530539 0.08402361 1\n C C4 1 0.04163338 0.53467128 0.54275469 1\n C C5 1 0.04161948 1.03466284 0.04282295 1\n C C6 1 0.31991293 0.21539658 0.58407555 1\n C C7 1 0.68059876 0.21529900 0.58409131 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49090000\n_cell_length_b 4.35865000\n_cell_length_c 3.58953000\n_cell_angle_alpha 95.67773000\n_cell_angle_beta 110.28920000\n_cell_angle_gamma 73.41948000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.03347931\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83805309 0.81530773 0.33627797 1\n C C1 1 0.20832694 0.81508984 0.07685742 1\n C C2 1 0.64912811 0.19102267 0.33600124 1\n C C3 1 0.02039400 0.19080677 1.07681362 1\n C C4 1 0.12514292 0.60915952 0.70585128 1\n C C5 1 0.73060425 0.39708737 0.70552047 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34643000\n_cell_length_b 4.83839000\n_cell_length_c 5.98639000\n_cell_angle_alpha 94.00730000\n_cell_angle_beta 123.99049000\n_cell_angle_gamma 107.34592000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.20379730\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35456359 0.27689993 0.30286604 1\n C C1 1 0.32608251 0.04017737 0.78555603 1\n C C2 1 0.84080664 0.30734789 0.54291320 1\n C C3 1 0.62287271 0.35476952 -0.06618888 1\n C C4 1 0.35442866 0.79591341 0.30278590 1\n C C5 1 0.13145250 0.48178303 0.19041423 1\n C C6 1 0.32679678 0.52175938 0.78602477 1\n C C7 1 0.54923332 0.83551090 0.89816320 1\n C C8 1 0.84238681 0.01123498 0.54462995 1\n C C9 1 0.05825769 0.96258851 0.15459837 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43157000\n_cell_length_b 5.55705000\n_cell_length_c 6.61237000\n_cell_angle_alpha 90.92193000\n_cell_angle_beta 88.35207000\n_cell_angle_gamma 103.70458000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.76509609\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63519840 0.16435729 0.63291620 1\n C C1 1 -0.25383734 0.38571980 0.24534818 1\n C C2 1 -0.03152373 0.83097771 0.46627868 1\n C C3 1 0.74643805 0.38588242 0.74503985 1\n C C4 1 1.30180766 0.49763532 0.79978456 1\n C C5 1 0.07950247 1.05223618 0.07881521 1\n C C6 1 1.41291938 0.71903083 -0.08801774 1\n C C7 1 -0.03160214 0.83077120 0.96671103 1\n C C8 1 1.07969159 0.05252658 0.57825434 1\n C C9 1 0.41292969 0.71915568 0.41172047 1\n C C10 1 0.30176746 0.49759538 0.29986749 1\n C C11 1 0.63494380 0.16407530 0.13343374 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63266000\n_cell_length_b 4.64946000\n_cell_length_c 6.74761000\n_cell_angle_alpha 68.48158000\n_cell_angle_beta 66.34715000\n_cell_angle_gamma 68.16121000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.67492982\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21067215 0.49564962 0.38558113 1\n C C1 1 0.65442778 0.39777799 0.36775653 1\n C C2 1 0.82169682 0.37740216 0.54079562 1\n C C3 1 0.86360867 0.09593210 0.73389534 1\n C C4 1 -0.00980461 0.80870396 0.46305323 1\n C C5 1 0.60960421 0.66592014 0.63376917 1\n C C6 1 0.42834100 0.06765275 0.90750765 1\n C C7 1 0.75469750 0.02963469 0.13708973 1\n C C8 1 1.00559655 0.18557377 0.88154416 1\n C C9 1 0.80559744 0.68019630 0.15744486 1\n C C10 1 0.24474629 0.52772114 0.14007590 1\n C C11 1 0.33620489 0.19405975 0.11835457 1\n C C12 1 0.13236213 0.78474068 0.65900499 1\n C C13 1 -0.07177676 1.10074983 0.27926368 1\n C C14 1 0.83713901 0.56027767 0.81560057 1\n C C15 1 0.57209564 0.70322744 0.00475596 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42908000\n_cell_length_b 5.71126000\n_cell_length_c 4.51385000\n_cell_angle_alpha 45.02735000\n_cell_angle_beta 76.21382000\n_cell_angle_gamma 80.56273000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.02381893\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34505910 0.14738459 0.48765049 1\n C C1 1 0.67839243 0.81405126 0.15431715 1\n C C2 1 -0.10102120 0.26006964 0.26545068 1\n C C3 1 0.23231213 -0.07326369 0.93211735 1\n C C4 1 0.01172577 0.48071793 0.82098382 1\n C C5 1 0.56564547 0.59340297 0.59878401 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48153000\n_cell_length_b 3.68923000\n_cell_length_c 4.21702000\n_cell_angle_alpha 104.84287000\n_cell_angle_beta 89.95138000\n_cell_angle_gamma 109.64363000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99195713\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00042019 0.20422085 0.34447902 1\n C C1 1 1.03542007 0.27454992 0.70957787 1\n C C2 1 0.25976089 0.72003008 0.91562697 1\n C C3 1 -0.22118228 0.75926421 0.13817731 1\n C C4 1 0.57808845 0.36160621 0.21384092 1\n C C5 1 0.45720276 0.11825253 0.84070423 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.19151000\n_cell_length_b 4.26510000\n_cell_length_c 7.83249000\n_cell_angle_alpha 75.92717000\n_cell_angle_beta 86.44462000\n_cell_angle_gamma 73.72213000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 130.37321851\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61564496 0.66478762 -0.09482046 1\n C C1 1 0.18007564 0.88329023 0.68396379 1\n C C2 1 0.74016418 0.10054836 0.46430237 1\n C C3 1 1.17925805 0.54987634 0.68432114 1\n C C4 1 0.53095088 0.70448339 0.36031036 1\n C C5 1 0.26627230 0.83833367 0.22833625 1\n C C6 1 0.74197425 0.77135281 0.46356647 1\n C C7 1 0.05653856 0.11422502 0.12353968 1\n C C8 1 0.39806097 0.94099942 0.79373680 1\n C C9 1 0.83454316 0.72334692 0.01435275 1\n C C10 1 0.26280528 0.51029701 0.22990673 1\n C C11 1 0.83480761 0.05496614 0.01482201 1\n C C12 1 0.52752591 0.37664176 0.36168812 1\n C C13 1 -0.03757059 0.15974132 0.57284806 1\n C C14 1 0.05454722 0.44336392 0.12474577 1\n C C15 1 0.39880094 0.27360259 0.79399062 1\n C C16 1 -0.03769906 0.49135989 0.57377437 1\n C C17 1 0.61496276 0.33138158 -0.09464556 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45092000\n_cell_length_b 4.54985000\n_cell_length_c 6.20915000\n_cell_angle_alpha 48.27515000\n_cell_angle_beta 78.66484000\n_cell_angle_gamma 105.83138000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.26542177\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24613893 0.87092991 0.31120125 1\n C C1 1 1.11030461 -0.01527062 0.69856253 1\n C C2 1 0.74627035 0.93789305 0.37849529 1\n C C3 1 0.22386680 0.69364481 0.17867312 1\n C C4 1 0.88280038 0.82345051 -0.00870853 1\n C C5 1 0.76954794 0.11524585 0.51100664 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50272000\n_cell_length_b 4.12927000\n_cell_length_c 7.71102000\n_cell_angle_alpha 117.37854000\n_cell_angle_beta 96.78738000\n_cell_angle_gamma 83.92729000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.14707716\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21485827 0.66651669 0.28540392 1\n C C1 1 0.48888399 0.61964699 0.75072531 1\n C C2 1 0.29346630 0.68185578 0.57829616 1\n C C3 1 0.74979953 0.91683120 0.58729786 1\n C C4 1 0.45354410 0.93460037 0.91650184 1\n C C5 1 0.69746825 0.27641139 0.77103373 1\n C C6 1 0.71311839 0.16450016 0.30583019 1\n C C7 1 0.64723227 0.87340874 0.08941492 1\n C C8 1 0.24854289 0.27820568 0.89677554 1\n C C9 1 0.22360343 0.39262368 0.36186919 1\n C C10 1 0.72169864 0.89102830 0.38300603 1\n C C11 1 0.19330132 0.63866284 0.08088802 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47783000\n_cell_length_b 2.47857000\n_cell_length_c 6.31103000\n_cell_angle_alpha 90.00217000\n_cell_angle_beta 101.30702000\n_cell_angle_gamma 59.95704000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67999869\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.15824506 0.33649507 0.05004389 1\n C C1 1 -0.04968734 0.78055931 0.71504373 1\n C C2 1 0.39906731 0.55659130 0.38471707 1\n C C3 1 0.01050213 0.25141434 0.30106963 1\n C C4 1 0.56183098 0.47459436 0.63205815 1\n C C5 1 1.11869928 0.69777751 0.96606754 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36239000\n_cell_length_b 3.43417000\n_cell_length_c 7.11018000\n_cell_angle_alpha 83.17316000\n_cell_angle_beta 82.59437000\n_cell_angle_gamma 87.74557000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.81523610\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93963142 0.54082651 0.93172600 1\n C C1 1 0.11962397 0.05104253 0.49598494 1\n C C2 1 1.14434468 0.42972664 0.74362987 1\n C C3 1 0.37409128 0.30658097 0.16984398 1\n C C4 1 0.60734566 0.87307985 0.92959941 1\n C C5 1 -0.14094911 0.29360793 0.62167186 1\n C C6 1 0.47713027 0.26033382 0.37415272 1\n C C7 1 0.34277169 0.76893616 0.62170362 1\n C C8 1 0.74231787 0.18181690 0.04410645 1\n C C9 1 0.83786662 -0.07082481 0.36956336 1\n C C10 1 0.24066613 0.67871287 0.05644179 1\n C C11 1 0.04466790 -0.00461289 0.16750709 1\n C C12 1 0.64304104 0.57378240 0.48306921 1\n C C13 1 0.50221210 0.07100501 0.73911360 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46313000\n_cell_length_b 6.40159000\n_cell_length_c 7.97324000\n_cell_angle_alpha 106.50315000\n_cell_angle_beta 87.54330000\n_cell_angle_gamma 75.69722000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 115.93825367\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72073384 0.57241043 0.93948372 1\n C C1 1 0.73557302 1.02406154 0.78489764 1\n C C2 1 0.48781187 0.22650615 0.72756352 1\n C C3 1 0.32572564 0.41182671 0.89610536 1\n C C4 1 0.51251496 0.73279681 0.84745846 1\n C C5 1 0.72661243 0.50156206 0.45874173 1\n C C6 1 -0.31353328 0.67262064 0.13998016 1\n C C7 1 -0.01445292 0.08149462 0.23211225 1\n C C8 1 1.23545291 -0.00994916 0.89381190 1\n C C9 1 0.40592977 0.32095074 0.06308006 1\n C C10 1 0.20195505 0.57773228 0.37971644 1\n C C11 1 -0.12736435 0.25818393 0.44016437 1\n C C12 1 1.00347573 0.17847360 0.07284019 1\n C C13 1 1.25031494 0.55641754 0.19048859 1\n C C14 1 0.97541108 0.81622337 0.63890036 1\n C C15 1 0.40946910 0.18996581 0.52739690 1\n C C16 1 0.56561005 0.67973515 0.65104912 1\n C C17 1 -0.44483427 -0.06470282 0.23615458 1\n C C18 1 0.05657300 0.82918554 0.46349376 1\n C C19 1 0.51493324 0.93978835 0.42654739 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.50665000\n_cell_length_b 3.51746000\n_cell_length_c 3.32169000\n_cell_angle_alpha 89.98614000\n_cell_angle_beta 90.03047000\n_cell_angle_gamma 119.95648000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.49780869\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06363150 0.44385456 0.31639204 1\n C C1 1 0.75866545 0.13977239 -0.01796630 1\n C C2 1 -0.01046995 0.90692229 0.81627369 1\n C C3 1 0.29520175 0.90736665 0.15017990 1\n C C4 1 0.75800599 0.44361896 0.65015584 1\n C C5 1 0.29431916 0.21058935 0.48203764 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42034000\n_cell_length_b 3.41874000\n_cell_length_c 5.01585000\n_cell_angle_alpha 111.51724000\n_cell_angle_beta 111.51753000\n_cell_angle_gamma 89.85586000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.16719079\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39836171 0.89175653 0.60738957 1\n C C1 1 0.86239127 0.01143704 0.75337135 1\n C C2 1 0.07078217 0.21926436 0.60739012 1\n C C3 1 0.07076648 0.21928303 0.10737969 1\n C C4 1 0.39835949 0.89184922 0.10742001 1\n C C5 1 0.19017922 0.68381225 0.25336797 1\n C C6 1 1.19020799 0.68378350 0.75336944 1\n C C7 1 0.86239857 1.01150926 0.25341375 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46388000\n_cell_length_b 5.07192000\n_cell_length_c 7.62471000\n_cell_angle_alpha 115.63260000\n_cell_angle_beta 99.32928000\n_cell_angle_gamma 89.95838000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 84.51124409\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30716776 0.21869095 0.47952317 1\n C C1 1 0.69580107 0.33479643 0.24570751 1\n C C2 1 0.87547635 0.83828030 0.61661368 1\n C C3 1 0.59844743 0.22096910 0.05048709 1\n C C4 1 0.03920260 1.12997415 -0.06606970 1\n C C5 1 0.48311436 0.64354046 0.83413338 1\n C C6 1 -0.03323464 0.78640843 0.80082346 1\n C C7 1 0.94195434 0.17267811 0.74109500 1\n C C8 1 -0.40720217 0.71884649 1.05193299 1\n C C9 1 0.31128626 0.73932317 0.48936511 1\n C C10 1 0.14167251 0.77484964 0.15086221 1\n C C11 1 0.24953318 -0.09069639 0.36727741 1\n C C12 1 0.25544440 0.40515253 0.36663647 1\n C C13 1 0.42046715 0.31252124 0.70050482 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28724000\n_cell_length_b 4.58487000\n_cell_length_c 4.15162000\n_cell_angle_alpha 115.23700000\n_cell_angle_beta 77.23584000\n_cell_angle_gamma 71.40827000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.77707652\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11911920 0.39186543 0.31512726 1\n C C1 1 0.74300132 0.38977706 0.62678359 1\n C C2 1 0.00507703 0.72710906 0.31500431 1\n C C3 1 0.38152257 0.72884336 0.00303810 1\n C C4 1 0.06906956 1.04059219 0.62659405 1\n C C5 1 0.05517623 0.07776662 1.00305920 1\n C C6 1 0.54525321 0.90423470 0.31508606 1\n C C7 1 0.57882109 0.21466976 0.31520973 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41754000\n_cell_length_b 2.61864000\n_cell_length_c 8.61176000\n_cell_angle_alpha 96.13178000\n_cell_angle_beta 81.82779000\n_cell_angle_gamma 89.52305000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.64052049\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37960803 -0.07685183 0.81231290 1\n C C1 1 0.46416150 0.85527042 0.63955457 1\n C C2 1 0.09092464 0.72047549 0.39207437 1\n C C3 1 0.71744325 0.56998368 0.14454251 1\n C C4 1 0.34666850 0.45045349 0.89049889 1\n C C5 1 0.25991338 0.52376210 0.06301652 1\n C C6 1 0.63232418 0.67021494 0.31040782 1\n C C7 1 0.00599951 0.81539151 0.55824523 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37944000\n_cell_length_b 3.76498000\n_cell_length_c 5.65318000\n_cell_angle_alpha 84.82412000\n_cell_angle_beta 77.31522000\n_cell_angle_gamma 79.42372000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.88719650\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66250293 0.66339281 0.60617501 1\n C C1 1 -0.08854260 0.00509477 0.45169139 1\n C C2 1 0.40870225 0.75425330 0.85197024 1\n C C3 1 0.20832241 0.74901954 0.29058946 1\n C C4 1 0.95565835 0.55847822 0.16547286 1\n C C5 1 0.38873116 0.48472984 0.45904294 1\n C C6 1 0.71746951 0.27242775 0.28855144 1\n C C7 1 0.27805336 0.40145018 0.96243728 1\n C C8 1 0.02610912 0.30062895 0.60586799 1\n C C9 1 0.65409074 0.16741073 0.04799335 1\n C C10 1 0.57570944 0.80851196 0.08085847 1\n C C11 1 0.08174773 0.14594395 -0.14642542 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43693000\n_cell_length_b 6.61979000\n_cell_length_c 8.29860000\n_cell_angle_alpha 105.13128000\n_cell_angle_beta 90.10372000\n_cell_angle_gamma 123.34082000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 106.19573235\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69306474 0.34363782 0.91609392 1\n C C1 1 1.40992319 0.48884326 0.19036558 1\n C C2 1 0.24328248 0.71160229 0.74933614 1\n C C3 1 0.07136706 0.59701269 0.57747766 1\n C C4 1 0.18242368 0.33645486 0.31465688 1\n C C5 1 0.86331646 0.45827719 0.08834227 1\n C C6 1 -0.43999144 -0.07566209 0.10382304 1\n C C7 1 0.93966240 0.17468217 0.64986464 1\n C C8 1 0.16279601 0.98917798 0.37651844 1\n C C9 1 0.52247595 0.56417572 0.47515576 1\n C C10 1 1.11163194 0.28926136 0.82682819 1\n C C11 1 0.75137904 0.71586313 0.35100802 1\n C C12 1 -0.22824488 0.06322753 0.28945616 1\n C C13 1 -0.00586649 0.88038064 0.01576638 1\n C C14 1 0.82513117 0.76640756 0.83886857 1\n C C15 1 0.37145969 0.12864469 0.56223745 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50509000\n_cell_length_b 3.94713000\n_cell_length_c 7.32220000\n_cell_angle_alpha 50.57151000\n_cell_angle_beta 58.01493000\n_cell_angle_gamma 79.82986000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.00051462\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02546502 1.12335700 0.76542817 1\n C C1 1 1.04416390 0.90560508 0.26715221 1\n C C2 1 0.86681748 0.52106897 0.73671968 1\n C C3 1 0.85083149 0.66006346 0.02475317 1\n C C4 1 0.57744506 0.80788221 0.55070643 1\n C C5 1 0.59502372 0.66951121 0.26228133 1\n C C6 1 0.39995357 0.42327949 1.02049348 1\n C C7 1 0.42068796 0.20611358 0.52142585 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48886000\n_cell_length_b 5.41939000\n_cell_length_c 5.19614000\n_cell_angle_alpha 103.16262000\n_cell_angle_beta 90.01007000\n_cell_angle_gamma 90.04305000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.24472370\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61940018 0.23501757 -0.06103804 1\n C C1 1 0.61966994 0.55850665 0.33811775 1\n C C2 1 0.62007497 0.75445770 0.85029239 1\n C C3 1 1.11952144 0.37788674 0.89324850 1\n C C4 1 0.61914395 0.24764290 0.23386839 1\n C C5 1 1.11980048 0.70089548 0.29178232 1\n C C6 1 0.61968867 -0.02037136 0.71146659 1\n C C7 1 0.12008856 0.68693378 0.99578387 1\n C C8 1 0.11914896 0.18100927 0.37988764 1\n C C9 1 0.11946021 0.39393906 0.62089273 1\n C C10 1 0.11951757 -0.04469574 0.51758651 1\n C C11 1 0.61969846 0.54086535 0.60959415 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48085000\n_cell_length_b 3.68708000\n_cell_length_c 4.21961000\n_cell_angle_alpha 75.07551000\n_cell_angle_beta 89.88984000\n_cell_angle_gamma 70.40142000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98288380\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00818532 0.92194413 0.33542215 1\n C C1 1 0.54885822 0.83490998 0.83958690 1\n C C2 1 0.42968269 0.07923114 0.46613963 1\n C C3 1 0.22838881 0.47683541 0.54166011 1\n C C4 1 0.74783511 0.43699247 0.76398297 1\n C C5 1 -0.02943685 0.99140127 0.97057204 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51496000\n_cell_length_b 3.51893000\n_cell_length_c 3.51956000\n_cell_angle_alpha 89.99557000\n_cell_angle_beta 90.01992000\n_cell_angle_gamma 89.98047000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.53307403\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76867088 0.42037937 0.17617172 1\n C C1 1 0.51935120 0.67075860 0.92540853 1\n C C2 1 0.01935120 0.67075860 0.42540853 1\n C C3 1 1.01935120 0.17075860 -0.07459147 1\n C C4 1 0.51935120 0.17075860 0.42540853 1\n C C5 1 0.76867088 0.92037937 0.67617172 1\n C C6 1 0.26867088 0.92037937 0.17617172 1\n C C7 1 0.26867088 0.42037937 0.67617172 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45295000\n_cell_length_b 4.71294000\n_cell_length_c 6.04700000\n_cell_angle_alpha 131.85359000\n_cell_angle_beta 78.29852000\n_cell_angle_gamma 121.38219000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.28784752\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68079975 0.46867247 0.23290007 1\n C C1 1 0.93792137 0.67398072 0.12966037 1\n C C2 1 1.02006160 0.33686763 0.29062205 1\n C C3 1 0.56070686 0.60967502 0.75067095 1\n C C4 1 0.59782281 0.80498234 0.07141717 1\n C C5 1 0.05010761 0.52901981 0.61074358 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31022000\n_cell_length_b 4.69220000\n_cell_length_c 6.19807000\n_cell_angle_alpha 73.94025000\n_cell_angle_beta 89.90160000\n_cell_angle_gamma 65.99096000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.83222868\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68917137 0.75027079 0.70316683 1\n C C1 1 0.91046433 0.96000970 0.32444522 1\n C C2 1 0.92696667 0.67001966 0.50231244 1\n C C3 1 0.44129951 0.11039802 0.19879987 1\n C C4 1 0.06655910 0.19525328 0.37869170 1\n C C5 1 0.68117326 0.51802744 0.38467347 1\n C C6 1 0.33328509 0.81606114 0.20413947 1\n C C7 1 0.30586340 0.33029760 0.95297487 1\n C C8 1 0.98469011 0.67364968 0.91017517 1\n C C9 1 0.60591756 0.42069640 0.77612198 1\n C C10 1 0.40988411 0.41333910 0.56585407 1\n C C11 1 0.07927455 0.17324171 0.82913903 1\n C C12 1 0.32502981 0.10311394 0.61758895 1\n C C13 1 0.13107154 0.86074684 0.98243494 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43190000\n_cell_length_b 7.53742000\n_cell_length_c 5.83508000\n_cell_angle_alpha 75.67705000\n_cell_angle_beta 77.78301000\n_cell_angle_gamma 89.98337000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 101.13371098\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92624354 0.60578958 0.65931962 1\n C C1 1 0.44794228 0.70134025 0.61436821 1\n C C2 1 0.62689096 0.46281628 0.23293716 1\n C C3 1 0.72362138 0.84404858 0.04558305 1\n C C4 1 0.87642646 0.41560369 0.75721874 1\n C C5 1 0.29899554 0.13041865 -0.09502143 1\n C C6 1 1.01182053 -0.01268959 0.47644834 1\n C C7 1 0.77632692 1.03469908 0.95054725 1\n C C8 1 0.05429626 0.17758491 0.38026235 1\n C C9 1 0.49048404 0.89153343 0.52068799 1\n C C10 1 0.35236019 0.32015909 0.80602782 1\n C C11 1 0.15009734 0.55842152 0.18567256 1\n C C12 1 0.20172690 0.74841068 0.08960416 1\n C C13 1 0.57731605 0.27285266 0.33211518 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48428000\n_cell_length_b 3.82307000\n_cell_length_c 5.78472000\n_cell_angle_alpha 73.97851000\n_cell_angle_beta 115.46140000\n_cell_angle_gamma 108.96750000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31007689\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06555428 0.38380037 1.05566097 1\n C C1 1 0.11091874 0.12865687 0.72748728 1\n C C2 1 0.63658110 0.62582806 0.50565381 1\n C C3 1 0.79370121 0.05397645 0.44820792 1\n C C4 1 0.57110637 0.60681111 0.94987077 1\n C C5 1 0.29862822 0.27630035 0.34235658 1\n C C6 1 0.25505902 0.53164139 0.67068453 1\n C C7 1 0.72814746 0.03440270 0.89228864 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43802000\n_cell_length_b 2.55136000\n_cell_length_c 7.22973000\n_cell_angle_alpha 118.44846000\n_cell_angle_beta 90.81387000\n_cell_angle_gamma 88.74171000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.53054490\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96456037 0.62912129 0.48697998 1\n C C1 1 0.46550772 0.80118924 0.59474771 1\n C C2 1 0.96690818 0.32665765 0.92361691 1\n C C3 1 -0.03389568 0.65900789 0.15327716 1\n C C4 1 0.46599864 0.15417580 0.81596846 1\n C C5 1 -0.03532322 0.29846633 0.25717088 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31192000\n_cell_length_b 4.30175000\n_cell_length_c 5.10294000\n_cell_angle_alpha 102.33497000\n_cell_angle_beta 116.80788000\n_cell_angle_gamma 105.37949000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.68339289\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26334274 0.60713145 0.31592436 1\n C C1 1 0.81452234 0.63318366 0.83770527 1\n C C2 1 0.71636629 0.08339906 0.29025958 1\n C C3 1 0.50910885 0.32094236 0.84348287 1\n C C4 1 1.02034486 1.08069655 0.60190959 1\n C C5 1 0.71474249 0.76864991 0.60771393 1\n C C6 1 0.81280382 0.31793562 0.15488981 1\n C C7 1 0.26628301 0.79410868 0.12930350 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43091000\n_cell_length_b 3.91436000\n_cell_length_c 4.71135000\n_cell_angle_alpha 84.14205000\n_cell_angle_beta 105.49238000\n_cell_angle_gamma 89.70123000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.95150112\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55655141 0.57726195 0.53315057 1\n C C1 1 0.11205319 0.68890083 0.64419193 1\n C C2 1 0.88987995 0.24522887 0.19888860 1\n C C3 1 0.77830210 1.02459869 0.97606686 1\n C C4 1 0.22288072 0.91271662 0.86513840 1\n C C5 1 0.44498444 0.35797383 0.30944604 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44809000\n_cell_length_b 4.19699000\n_cell_length_c 6.61954000\n_cell_angle_alpha 86.09069000\n_cell_angle_beta 90.04817000\n_cell_angle_gamma 90.01376000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.85490965\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.15627972 0.42203626 0.44459384 1\n C C1 1 0.84499342 0.46025111 0.04827095 1\n C C2 1 0.34343007 0.12536299 0.69910255 1\n C C3 1 0.34480047 0.61539596 0.05617779 1\n C C4 1 0.84364207 0.10258821 0.79823523 1\n C C5 1 0.84432891 0.11143937 0.02442800 1\n C C6 1 0.34364217 0.91922654 0.35857708 1\n C C7 1 0.34368359 0.22933740 0.47609422 1\n C C8 1 0.84359963 0.73772664 0.41306208 1\n C C9 1 0.34445458 0.94951182 0.11411624 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42972000\n_cell_length_b 3.03247000\n_cell_length_c 6.40389000\n_cell_angle_alpha 102.62642000\n_cell_angle_beta 100.73887000\n_cell_angle_gamma 102.84085000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.50168881\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46780483 -0.14002405 0.17925398 1\n C C1 1 0.80542691 0.86973871 0.84764252 1\n C C2 1 0.57859790 0.85860742 0.40112249 1\n C C3 1 0.13580545 0.86183727 0.51307310 1\n C C4 1 0.24930080 0.86917101 0.73610760 1\n C C5 1 0.91367691 0.86467635 0.06906321 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.06090000\n_cell_length_b 2.48763000\n_cell_length_c 5.31329000\n_cell_angle_alpha 117.92054000\n_cell_angle_beta 104.11939000\n_cell_angle_gamma 89.98777000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.58534161\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87465901 0.86578102 0.76074206 1\n C C1 1 0.64042788 0.71729798 0.11286877 1\n C C2 1 0.43928557 0.94447207 0.33810950 1\n C C3 1 0.40881821 0.40971690 0.80487253 1\n C C4 1 0.20762346 0.79553398 0.69066156 1\n C C5 1 0.21502606 0.44985442 0.34362563 1\n C C6 1 0.67352018 0.25112973 0.64600110 1\n C C7 1 -0.13345506 0.21261700 0.10820954 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46433000\n_cell_length_b 6.63608000\n_cell_length_c 8.89825000\n_cell_angle_alpha 61.40363000\n_cell_angle_beta 89.96372000\n_cell_angle_gamma 79.27876000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 124.87502218\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72250947 0.50187848 0.80967384 1\n C C1 1 0.08470419 0.78845327 0.53953478 1\n C C2 1 0.49252778 0.96443539 0.76862995 1\n C C3 1 0.85290425 0.26071188 0.31160012 1\n C C4 1 0.75832914 0.44323749 0.55148525 1\n C C5 1 0.17860668 0.59978113 0.99993680 1\n C C6 1 0.46699412 0.02202641 0.02049888 1\n C C7 1 0.43407149 0.09588456 0.15527273 1\n C C8 1 0.86732554 0.22864315 0.15537098 1\n C C9 1 0.29851646 0.36353388 0.49463532 1\n C C10 1 0.74531384 0.46517288 0.99718597 1\n C C11 1 0.81952065 0.30947710 0.75840433 1\n C C12 1 0.43318084 1.09532079 0.57372107 1\n C C13 1 -0.44224504 0.84056556 0.28506060 1\n C C14 1 0.16343977 0.63325123 0.15366469 1\n C C15 1 0.28380564 0.39760717 0.31106343 1\n C C16 1 0.62162912 0.71578724 0.47461190 1\n C C17 1 -0.04195558 1.04621303 0.49497544 1\n C C18 1 0.59657861 0.76716773 0.15155538 1\n C C19 1 0.39946481 0.14871961 0.83062883 1\n C C20 1 0.14566689 0.65602415 0.73453333 1\n C C21 1 0.06903002 0.81079356 0.82227398 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47668000\n_cell_length_b 6.81649000\n_cell_length_c 7.65694000\n_cell_angle_alpha 86.84030000\n_cell_angle_beta 73.69475000\n_cell_angle_gamma 70.71263000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 164.24474292\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45541412 0.61560129 0.70495503 1\n C C1 1 -0.01274295 0.58818786 0.32337214 1\n C C2 1 0.51357281 0.76156055 0.42019107 1\n C C3 1 0.60115944 0.91632221 0.83141502 1\n C C4 1 1.09284731 0.23060713 0.33226454 1\n C C5 1 0.81843603 0.85368846 0.11430353 1\n C C6 1 0.24225350 0.27604583 0.47873185 1\n C C7 1 0.54810025 0.12694401 0.76425923 1\n C C8 1 0.58505042 0.27998797 -0.12822783 1\n C C9 1 0.87405506 0.05669425 0.12415366 1\n C C10 1 0.20027086 0.48779325 0.46386986 1\n C C11 1 0.34660476 0.61152714 0.54306577 1\n C C12 1 0.37007477 0.84438400 0.26023061 1\n C C13 1 0.18973825 0.70808021 0.17579355 1\n C C14 1 0.57759966 0.59673796 0.00511683 1\n C C15 1 0.75192395 0.23394988 1.02828247 1\n C C16 1 0.44077350 0.12615902 0.59126558 1\n C C17 1 -0.19675484 0.41136674 0.09101275 1\n C C18 1 0.50166327 0.91413541 0.55129532 1\n C C19 1 0.52485012 0.80732645 0.70439475 1\n C C20 1 0.07958176 0.05223148 0.25911052 1\n C C21 1 -0.06875937 0.41196846 0.24385862 1\n C C22 1 0.50386252 0.49491254 0.85277657 1\n C C23 1 0.73360920 0.78557031 0.95946634 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.73939000\n_cell_length_b 3.62198000\n_cell_length_c 4.80598000\n_cell_angle_alpha 112.13285000\n_cell_angle_beta 89.82638000\n_cell_angle_gamma 89.66882000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.16979737\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71439738 0.58611186 -0.09484235 1\n C C1 1 0.71431171 0.80046770 0.71459849 1\n C C2 1 0.71426559 0.24118598 0.21404882 1\n C C3 1 0.71421633 0.85954390 0.21396526 1\n C C4 1 0.71430200 0.64518806 0.40452443 1\n C C5 1 0.71434812 0.20446978 0.90507410 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.57439000\n_cell_length_b 3.27341000\n_cell_length_c 4.83476000\n_cell_angle_alpha 108.42141000\n_cell_angle_beta 100.32260000\n_cell_angle_gamma 103.63368000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.14492737\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75325484 -0.04718349 -0.11477979 1\n C C1 1 1.01997633 0.80644123 0.34510458 1\n C C2 1 0.19851023 0.19874555 0.59712190 1\n C C3 1 0.49701209 1.08550766 0.08118971 1\n C C4 1 0.67941571 0.47471713 0.33450302 1\n C C5 1 0.59405793 0.48969683 0.62637557 1\n C C6 1 0.94244619 0.33166435 0.79362585 1\n C C7 1 1.10122009 0.79298995 0.05230196 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.18048000\n_cell_length_b 4.77026000\n_cell_length_c 4.89248000\n_cell_angle_alpha 89.99724000\n_cell_angle_beta 92.85427000\n_cell_angle_gamma 51.73771000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.16464805\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02525233 0.24386381 0.69080605 1\n C C1 1 0.85603903 0.55826547 0.84229454 1\n C C2 1 0.21676154 0.42564763 1.07270664 1\n C C3 1 0.76812149 0.24344575 0.45753591 1\n C C4 1 0.58107434 0.06222231 0.07330304 1\n C C5 1 -0.06289080 0.92922268 0.30691472 1\n C C6 1 0.30869512 0.55694389 0.30744734 1\n C C7 1 0.48292653 -0.06970373 0.84227896 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48375000\n_cell_length_b 4.04921000\n_cell_length_c 5.01215000\n_cell_angle_alpha 66.14263000\n_cell_angle_beta 85.56043000\n_cell_angle_gamma 78.96011000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.24804605\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04228542 0.80457338 0.46639376 1\n C C1 1 -0.09427344 0.85260505 0.74967581 1\n C C2 1 0.40634498 0.75704359 -0.05952807 1\n C C3 1 0.54227959 0.42503910 0.22477057 1\n C C4 1 0.22448669 0.14659416 0.94056438 1\n C C5 1 1.09541057 0.19397236 0.22494060 1\n C C6 1 0.72472361 0.24169350 0.74982300 1\n C C7 1 0.59557298 0.57335396 0.46619186 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49377000\n_cell_length_b 3.96182000\n_cell_length_c 6.06805000\n_cell_angle_alpha 89.96378000\n_cell_angle_beta 78.14192000\n_cell_angle_gamma 90.00425000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.67212895\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02113976 0.19410122 0.07922096 1\n C C1 1 0.76304931 0.20169763 0.58972245 1\n C C2 1 0.10365278 0.90522835 0.91338888 1\n C C3 1 -0.23718103 0.60735208 0.58995483 1\n C C4 1 0.67438581 0.90518074 0.77082014 1\n C C5 1 0.32794194 0.71635686 0.45810208 1\n C C6 1 0.44900631 0.21667803 0.22272549 1\n C C7 1 0.44869880 0.59175581 0.22285418 1\n C C8 1 1.02084508 0.61515055 0.07929194 1\n C C9 1 0.32814664 1.09204455 0.45797865 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46540000\n_cell_length_b 3.19704000\n_cell_length_c 7.40940000\n_cell_angle_alpha 87.29345000\n_cell_angle_beta 99.54514000\n_cell_angle_gamma 112.65143000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.14094822\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46861704 0.88291803 0.29641761 1\n C C1 1 0.56232397 0.52144403 0.84675638 1\n C C2 1 0.20395876 0.51321204 0.13839739 1\n C C3 1 0.92774345 0.53195922 0.56266503 1\n C C4 1 0.37241025 0.52944939 0.45509073 1\n C C5 1 0.64880715 0.51198264 1.03107605 1\n C C6 1 0.01566021 0.52682558 0.74679906 1\n C C7 1 0.10690018 0.15939398 0.29597224 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.19017000\n_cell_length_b 3.47431000\n_cell_length_c 6.81564000\n_cell_angle_alpha 111.88706000\n_cell_angle_beta 103.93310000\n_cell_angle_gamma 111.58303000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.59784795\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24444744 0.45909624 0.67971884 1\n C C1 1 0.41605862 0.62421404 0.21774677 1\n C C2 1 0.71014533 0.92244981 0.82986274 1\n C C3 1 0.51232467 0.72261413 0.44871879 1\n C C4 1 0.95138665 0.15976495 0.06756674 1\n C C5 1 0.14639886 0.36247064 0.44893237 1\n C C6 1 0.87371045 1.08663647 0.67944088 1\n C C7 1 0.78592557 -0.00283279 0.21799848 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46547000\n_cell_length_b 5.60377000\n_cell_length_c 5.61868000\n_cell_angle_alpha 98.90035000\n_cell_angle_beta 91.99767000\n_cell_angle_gamma 95.94775000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.17733766\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97749480 0.65581096 0.68047056 1\n C C1 1 -0.00066487 0.61930267 0.12549251 1\n C C2 1 0.79177070 0.21815191 0.34368195 1\n C C3 1 0.00402957 0.46186490 0.86637161 1\n C C4 1 0.00322621 -0.08031851 -0.18017493 1\n C C5 1 0.09754428 0.88771211 0.10278891 1\n C C6 1 0.65561929 1.00203744 0.20973294 1\n C C7 1 0.45504431 0.60159483 0.53224284 1\n C C8 1 0.49138652 0.30794389 0.83289277 1\n C C9 1 0.50942251 0.06367104 0.79369798 1\n C C10 1 0.34507487 0.35316080 0.38538058 1\n C C11 1 0.47498221 0.57514726 0.26223529 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48309000\n_cell_length_b 6.63727000\n_cell_length_c 5.69945000\n_cell_angle_alpha 120.35241000\n_cell_angle_beta 102.58858000\n_cell_angle_gamma 89.99843000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.42974307\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72508263 0.36627790 0.05929487 1\n C C1 1 0.18345416 0.81437366 0.96850811 1\n C C2 1 0.03171499 0.63635358 0.66632613 1\n C C3 1 0.19685927 1.04085821 -0.00386677 1\n C C4 1 0.90242104 -0.05695385 0.41312067 1\n C C5 1 0.74170169 0.76735039 0.08784951 1\n C C6 1 0.34775415 0.21972043 0.29746330 1\n C C7 1 0.64658331 0.48727506 0.90261243 1\n C C8 1 0.47130967 0.91277298 0.55108057 1\n C C9 1 0.63528271 0.08678478 0.87584669 1\n C C10 1 0.45924432 0.65734464 0.52258964 1\n C C11 1 0.31750647 0.42566712 0.24349748 1\n C C12 1 0.05521673 0.42921661 0.71892527 1\n C C13 1 0.91880476 0.19848880 0.44061781 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46212000\n_cell_length_b 4.88809000\n_cell_length_c 6.39417000\n_cell_angle_alpha 73.41018000\n_cell_angle_beta 78.87212000\n_cell_angle_gamma 89.86948000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.25001777\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68876781 0.34000253 0.29306295 1\n C C1 1 0.36563797 0.50882327 0.93213138 1\n C C2 1 0.67653717 0.00078421 0.32275427 1\n C C3 1 0.47785652 0.47185055 0.70767775 1\n C C4 1 -0.20720718 0.97958533 1.09089528 1\n C C5 1 0.80842964 0.45582750 0.04583680 1\n C C6 1 0.12512179 0.37519183 0.41908175 1\n C C7 1 0.46602649 1.11954871 0.73916029 1\n C C8 1 0.34791048 0.97836450 -0.01855013 1\n C C9 1 0.03089559 0.09198733 0.61100712 1\n C C10 1 1.04846868 0.57365131 0.56760576 1\n C C11 1 0.10712515 -0.10671188 0.46150040 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45653000\n_cell_length_b 3.66282000\n_cell_length_c 6.47368000\n_cell_angle_alpha 99.33807000\n_cell_angle_beta 100.92434000\n_cell_angle_gamma 109.57376000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.25931959\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42072805 0.69253718 0.50137649 1\n C C1 1 0.43403483 0.20090802 0.02114699 1\n C C2 1 0.59500378 0.09139831 0.45103260 1\n C C3 1 0.99045531 0.20918294 0.12716946 1\n C C4 1 0.29657517 0.16243548 0.78510268 1\n C C5 1 0.83394080 0.32345802 0.69839566 1\n C C6 1 0.13070448 0.25147584 0.36366318 1\n C C7 1 1.00874897 0.72228362 0.64691573 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46416000\n_cell_length_b 4.72422000\n_cell_length_c 10.48986000\n_cell_angle_alpha 85.49983000\n_cell_angle_beta 90.02543000\n_cell_angle_gamma 74.85792000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 117.48399251\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62842124 0.88751476 0.99169258 1\n C C1 1 0.93479457 0.27961454 0.42760989 1\n C C2 1 0.41147480 0.31877007 0.22352097 1\n C C3 1 0.88415780 0.37480010 0.29000890 1\n C C4 1 0.77478617 0.59844345 0.92453667 1\n C C5 1 0.49565785 0.15135596 0.89171788 1\n C C6 1 0.23706132 0.66621512 0.71099334 1\n C C7 1 -0.02611808 0.19335776 0.80803499 1\n C C8 1 0.69138692 0.76732386 0.27715528 1\n C C9 1 0.50293482 0.13856623 0.61414879 1\n C C10 1 0.12610029 0.89313121 0.07332510 1\n C C11 1 0.79300658 0.55573531 0.78330259 1\n C C12 1 0.39376411 0.35196471 0.09988965 1\n C C13 1 0.05922575 1.02358755 0.68642865 1\n C C14 1 0.36266831 0.42277548 -0.03195862 1\n C C15 1 0.52548140 0.10028830 0.46966333 1\n C C16 1 0.32449335 0.49301330 0.59193993 1\n C C17 1 0.15347545 0.84036846 0.20414796 1\n C C18 1 0.67024768 0.80979796 0.41845401 1\n C C19 1 0.80038496 0.54268206 0.50767869 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44151000\n_cell_length_b 4.72234000\n_cell_length_c 7.39876000\n_cell_angle_alpha 96.55734000\n_cell_angle_beta 70.79724000\n_cell_angle_gamma 58.70374000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 64.39883855\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85081073 0.72860561 0.89703040 1\n C C1 1 1.00525393 0.22108297 0.25360966 1\n C C2 1 0.52615766 0.82748171 0.12531915 1\n C C3 1 0.97848994 0.41472844 0.58398367 1\n C C4 1 0.38984097 0.37914649 0.21028088 1\n C C5 1 0.67506661 0.32001413 0.48214049 1\n C C6 1 0.54691623 0.63395806 0.79491272 1\n C C7 1 1.14265524 0.66860469 0.16805533 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.61064000\n_cell_length_b 5.68307000\n_cell_length_c 4.57825000\n_cell_angle_alpha 100.95760000\n_cell_angle_beta 89.83958000\n_cell_angle_gamma 117.53419000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 103.93529690\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24890625 0.19001220 0.90364753 1\n C C1 1 0.93836014 1.03944916 0.46293688 1\n C C2 1 0.72644914 0.93404080 0.67049241 1\n C C3 1 0.50685426 0.32010996 0.12012914 1\n C C4 1 0.75864266 0.94483154 0.18861542 1\n C C5 1 0.26135087 0.19777162 0.59502842 1\n C C6 1 0.40468570 0.77123968 0.53953807 1\n C C7 1 0.90668682 1.02120370 0.94184331 1\n C C8 1 0.41730638 0.77746494 0.22348181 1\n C C9 1 0.86049969 0.49875815 0.15723384 1\n C C10 1 0.12835149 0.63531846 0.68994865 1\n C C11 1 0.85934021 0.49934018 0.47466704 1\n C C12 1 0.51399954 0.32569538 0.43460843 1\n C C13 1 0.13562574 0.63778363 0.00887484 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46675000\n_cell_length_b 3.38692000\n_cell_length_c 5.25896000\n_cell_angle_alpha 88.55902000\n_cell_angle_beta 90.01910000\n_cell_angle_gamma 68.69380000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.91888641\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46559578 0.31538068 1.00767293 1\n C C1 1 0.84201214 0.57159557 0.60754053 1\n C C2 1 -0.01456638 0.27423413 1.13295183 1\n C C3 1 0.61671092 1.02060352 0.53375039 1\n C C4 1 1.02575124 0.20221616 0.40817985 1\n C C5 1 0.43315479 0.38855094 0.73221997 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31777000\n_cell_length_b 3.33427000\n_cell_length_c 4.68172000\n_cell_angle_alpha 110.89392000\n_cell_angle_beta 90.13094000\n_cell_angle_gamma 90.03681000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.38495628\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85342652 0.32737015 0.90102339 1\n C C1 1 -0.01657082 0.49801567 0.24418783 1\n C C2 1 0.60294758 0.64110057 0.41798863 1\n C C3 1 0.56132821 -0.04599967 0.74836121 1\n C C4 1 0.23413329 0.29455714 0.72775448 1\n C C5 1 0.27709819 0.27827280 0.39731959 1\n C C6 1 0.50179770 0.65745964 0.91420383 1\n C C7 1 0.33779033 0.81625610 0.23089904 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.88214000\n_cell_length_b 5.75058000\n_cell_length_c 4.02103000\n_cell_angle_alpha 94.65096000\n_cell_angle_beta 75.93336000\n_cell_angle_gamma 81.13663000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.37557585\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87127025 0.60843440 0.10013009 1\n C C1 1 1.20394740 0.16285385 0.20949087 1\n C C2 1 0.70298145 0.82887279 0.04124928 1\n C C3 1 0.87196574 0.94236563 0.76827631 1\n C C4 1 0.37195090 -0.05763793 0.26825230 1\n C C5 1 0.87183793 0.27537649 0.43380042 1\n C C6 1 0.37127679 0.60843891 0.60014486 1\n C C7 1 0.70296524 0.49546459 0.37459500 1\n C C8 1 0.37182078 0.27536993 0.93379578 1\n C C9 1 0.70396498 0.16286038 0.70951584 1\n C C10 1 0.20298811 0.82887837 0.54126091 1\n C C11 1 0.20295113 0.49545618 0.87459124 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.29729000\n_cell_length_b 4.33713000\n_cell_length_c 4.74712000\n_cell_angle_alpha 62.69726000\n_cell_angle_beta 74.52077000\n_cell_angle_gamma 65.53399000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.23584731\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26582861 0.29248008 0.00388648 1\n C C1 1 0.43554306 0.84442278 0.74045025 1\n C C2 1 0.00778225 0.73492139 0.48121952 1\n C C3 1 0.69495155 0.38212308 0.49701739 1\n C C4 1 0.16215347 0.06702361 0.89390119 1\n C C5 1 0.33183286 0.61820753 0.63163418 1\n C C6 1 0.90926628 0.39547372 0.68674505 1\n C C7 1 0.66043491 1.05211737 0.49923242 1\n C C8 1 0.59052973 0.17628861 0.15319355 1\n C C9 1 0.68852401 0.51612502 0.94764580 1\n C C10 1 -0.06255411 0.85898665 0.13560854 1\n C C11 1 0.90241916 0.52907727 1.13814653 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.16560000\n_cell_length_b 3.63694000\n_cell_length_c 4.66670000\n_cell_angle_alpha 120.62246000\n_cell_angle_beta 100.24761000\n_cell_angle_gamma 73.22926000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.21213861\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45269926 0.73195286 0.41429809 1\n C C1 1 0.31840185 0.86598579 0.18250997 1\n C C2 1 0.28987920 0.89206233 0.70394408 1\n C C3 1 0.76865771 0.41500142 0.73184873 1\n C C4 1 0.47731431 0.70397657 0.89086720 1\n C C5 1 -0.23481410 0.41990035 0.41966809 1\n C C6 1 1.00662879 0.17879007 0.17879234 1\n C C7 1 1.00074208 1.18335650 0.86570380 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.09355000\n_cell_length_b 4.55058000\n_cell_length_c 4.59312000\n_cell_angle_alpha 117.95319000\n_cell_angle_beta 85.62517000\n_cell_angle_gamma 102.53233000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.74560843\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43724432 0.67514061 0.79354301 1\n C C1 1 0.56736225 0.89134796 0.66588410 1\n C C2 1 0.22261827 0.32481722 0.01581603 1\n C C3 1 0.02231874 0.19939718 0.21469776 1\n C C4 1 0.80927936 0.75196248 0.42335487 1\n C C5 1 0.58538759 0.39846292 0.63890322 1\n C C6 1 0.00981645 0.87748081 0.22492514 1\n C C7 1 0.81909817 0.43003537 0.41079055 1\n C C8 1 0.21025973 0.64553505 0.02631820 1\n C C9 1 0.46439092 0.18609961 0.77242802 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46335000\n_cell_length_b 3.39342000\n_cell_length_c 5.28826000\n_cell_angle_alpha 86.33607000\n_cell_angle_beta 89.95926000\n_cell_angle_gamma 111.20210000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.11555353\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80469916 0.50483747 0.17522686 1\n C C1 1 0.98407691 -0.13726418 0.37241920 1\n C C2 1 0.57782184 1.05093747 0.24592927 1\n C C3 1 -0.04434980 -0.20252030 0.64792429 1\n C C4 1 0.43912050 0.76379056 0.77437185 1\n C C5 1 0.39963558 0.69391828 0.05010493 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.19556000\n_cell_length_b 4.77955000\n_cell_length_c 4.20738000\n_cell_angle_alpha 79.87423000\n_cell_angle_beta 59.93459000\n_cell_angle_gamma 93.66398000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.72816165\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20605249 0.37270146 0.46534824 1\n C C1 1 0.63472312 0.71857443 0.48349974 1\n C C2 1 0.27527830 0.68653122 0.49358002 1\n C C3 1 0.55743457 0.13334809 -0.04944141 1\n C C4 1 0.60415158 0.67133546 0.85530475 1\n C C5 1 -0.03719468 0.78458823 0.15180372 1\n C C6 1 0.44336650 0.37349998 0.09440645 1\n C C7 1 0.92888151 0.12732039 0.71471043 1\n C C8 1 0.33256732 0.83884542 0.11597637 1\n C C9 1 -0.02946151 0.80968783 0.79015940 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68909000\n_cell_length_b 2.48098000\n_cell_length_c 4.21671000\n_cell_angle_alpha 90.05359000\n_cell_angle_beta 104.73673000\n_cell_angle_gamma 70.36619000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00236340\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38889894 0.11453897 0.61921694 1\n C C1 1 0.30376066 0.65505259 0.11553608 1\n C C2 1 -0.05641528 0.33769910 0.41270714 1\n C C3 1 0.90565316 0.85650785 0.19078382 1\n C C4 1 0.46097801 1.07654202 0.98461509 1\n C C5 1 0.54529090 0.53629067 0.48795772 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47609000\n_cell_length_b 4.18443000\n_cell_length_c 4.79269000\n_cell_angle_alpha 115.85822000\n_cell_angle_beta 89.98828000\n_cell_angle_gamma 90.02420000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.68530526\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64247334 0.21656346 0.38569235 1\n C C1 1 0.64259830 0.84695826 0.38542806 1\n C C2 1 0.14266315 0.09059476 0.87364097 1\n C C3 1 0.64258795 0.88302051 0.71921647 1\n C C4 1 0.14249422 0.63912712 0.23029478 1\n C C5 1 0.64284632 0.51362477 0.71897954 1\n C C6 1 0.14245257 0.26915615 0.23047403 1\n C C7 1 0.14283305 0.46044788 0.87343151 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54514000\n_cell_length_b 4.42632000\n_cell_length_c 7.13185000\n_cell_angle_alpha 103.13613000\n_cell_angle_beta 112.23144000\n_cell_angle_gamma 95.57774000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.91477318\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08054893 0.55393038 0.10956085 1\n C C1 1 0.36037168 -0.10727661 0.19705705 1\n C C2 1 -0.19949885 0.42580663 0.41902069 1\n C C3 1 0.38484638 0.06942532 0.07333327 1\n C C4 1 1.09485209 0.97928499 0.84626623 1\n C C5 1 0.77126970 0.45865967 0.86994955 1\n C C6 1 0.61620468 0.40594447 0.18229752 1\n C C7 1 0.78420489 0.64949962 0.75288824 1\n C C8 1 0.54638748 0.11613953 0.76804106 1\n C C9 1 0.41980519 0.60487423 0.52448108 1\n C C10 1 0.34134362 0.97524617 0.53080675 1\n C C11 1 0.72283289 0.06565231 0.42532499 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52117000\n_cell_length_b 5.15717000\n_cell_length_c 6.78231000\n_cell_angle_alpha 43.74622000\n_cell_angle_beta 72.16210000\n_cell_angle_gamma 81.94619000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.60181965\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61838783 0.63793792 0.70427958 1\n C C1 1 0.87564050 -0.14334458 0.90291057 1\n C C2 1 0.37662246 0.09158558 0.81867187 1\n C C3 1 0.17413154 0.06932007 0.21532702 1\n C C4 1 0.37381397 0.24434296 0.94123847 1\n C C5 1 0.67353061 0.45743378 0.25322476 1\n C C6 1 0.06912647 0.83342173 0.67798550 1\n C C7 1 0.17230879 0.22239929 0.33730588 1\n C C8 1 0.92962226 0.67610011 0.45275531 1\n C C9 1 0.47941748 0.48088464 0.47855734 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47819000\n_cell_length_b 2.47787000\n_cell_length_c 6.31095000\n_cell_angle_alpha 90.01626000\n_cell_angle_beta 101.33374000\n_cell_angle_gamma 59.95991000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67308428\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83018611 0.39237971 0.01514121 1\n C C1 1 0.55251119 0.03210168 0.09925303 1\n C C2 1 0.66488193 0.47537621 0.76400733 1\n C C3 1 0.72074731 0.95016559 0.35017738 1\n C C4 1 0.11030781 0.25540094 0.43316583 1\n C C5 1 0.27612965 0.17069157 0.68039772 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.11818000\n_cell_length_b 4.08118000\n_cell_length_c 6.65895000\n_cell_angle_alpha 68.69849000\n_cell_angle_beta 72.15489000\n_cell_angle_gamma 69.97405000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.55606423\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38839191 0.66447092 0.76822408 1\n C C1 1 0.65500282 0.59644917 0.56824051 1\n C C2 1 0.78841470 0.06435447 -0.03158641 1\n C C3 1 0.85466287 0.79628292 0.16829197 1\n C C4 1 0.45397165 0.39609278 0.96802433 1\n C C5 1 0.05445189 -0.00371922 0.76804441 1\n C C6 1 0.25496418 0.19645522 0.36787804 1\n C C7 1 0.18848275 0.46442277 0.16847798 1\n C C8 1 0.58912332 0.86473387 0.36822429 1\n C C9 1 -0.01091850 0.26458850 0.56853271 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.90844000\n_cell_length_b 3.06118000\n_cell_length_c 4.75897000\n_cell_angle_alpha 119.61407000\n_cell_angle_beta 122.98131000\n_cell_angle_gamma 72.92857000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.50005111\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21998752 -0.03896216 0.15316340 1\n C C1 1 0.55332085 0.29437118 0.81983007 1\n C C2 1 0.21754248 0.29117932 0.48599940 1\n C C3 1 0.55087581 0.62451266 0.15266607 1\n C C4 1 0.88420915 0.95784599 0.81933273 1\n C C5 1 0.88665419 0.62770451 0.48649673 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46033000\n_cell_length_b 6.16095000\n_cell_length_c 6.58628000\n_cell_angle_alpha 70.02473000\n_cell_angle_beta 75.97477000\n_cell_angle_gamma 88.89099000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.81092316\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67723591 0.29847799 1.03673598 1\n C C1 1 0.02118240 0.62796591 0.09711152 1\n C C2 1 0.09167391 -0.15023428 0.89491203 1\n C C3 1 0.56727845 -0.01580510 0.92085690 1\n C C4 1 0.51978863 0.46713046 0.14003645 1\n C C5 1 0.16726175 0.59055425 0.65485289 1\n C C6 1 0.01897395 0.35051149 0.80437708 1\n C C7 1 0.49736884 0.04942328 0.13913678 1\n C C8 1 1.31490818 0.58379860 0.43118576 1\n C C9 1 0.76472281 0.21758569 0.50710890 1\n C C10 1 -0.10626016 0.69836115 0.30454263 1\n C C11 1 0.33457938 0.35295604 0.39749484 1\n C C12 1 0.77261925 -0.03664861 0.51844865 1\n C C13 1 0.20102726 0.83290525 0.65508540 1\n C C14 1 0.59874639 0.22210632 0.74658426 1\n C C15 1 0.91554005 0.94746025 0.27941123 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48446000\n_cell_length_b 3.68091000\n_cell_length_c 13.90262000\n_cell_angle_alpha 77.63634000\n_cell_angle_beta 76.65582000\n_cell_angle_gamma 70.15308000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 115.07270625\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94610550 0.62885577 0.95996063 1\n C C1 1 0.73785470 0.47882026 0.18177411 1\n C C2 1 0.30776536 1.13822521 0.86891073 1\n C C3 1 0.45192142 0.64082070 0.56437215 1\n C C4 1 0.46891445 0.10663265 0.36986906 1\n C C5 1 0.47129828 0.28797814 0.27135292 1\n C C6 1 0.74806242 0.36121776 0.82916278 1\n C C7 1 0.13499319 0.19377125 -0.01820370 1\n C C8 1 0.63781339 0.20506078 0.58916959 1\n C C9 1 0.49608562 0.70192870 0.89240405 1\n C C10 1 0.08875321 0.13223289 0.65612075 1\n C C11 1 0.27876047 0.69650371 0.67821730 1\n C C12 1 0.89057393 0.86440420 0.52497688 1\n C C13 1 0.95229724 1.01709391 0.41792822 1\n C C14 1 0.83763928 0.47453725 0.71826062 1\n C C15 1 0.59798801 0.87520614 0.13337774 1\n C C16 1 -0.30380313 0.96704171 0.02296736 1\n C C17 1 0.36250795 0.21650235 0.18145612 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48984000\n_cell_length_b 5.94749000\n_cell_length_c 3.93689000\n_cell_angle_alpha 97.63589000\n_cell_angle_beta 89.99869000\n_cell_angle_gamma 102.10023000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.47460582\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54897468 0.06422946 0.72249034 1\n C C1 1 1.14294835 0.25402308 0.25941804 1\n C C2 1 0.64878882 0.26589351 0.49777104 1\n C C3 1 0.45210436 0.86450328 0.42067675 1\n C C4 1 0.81146639 0.58566805 1.02368302 1\n C C5 1 0.26651237 0.49456763 0.16769346 1\n C C6 1 0.33128374 0.62405050 0.51348835 1\n C C7 1 1.04441783 1.05445782 0.95710127 1\n C C8 1 0.94637684 0.85270704 0.18108068 1\n C C9 1 0.78559842 0.53300984 0.65719434 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46744000\n_cell_length_b 6.49097000\n_cell_length_c 7.31566000\n_cell_angle_alpha 78.72136000\n_cell_angle_beta 82.98759000\n_cell_angle_gamma 96.76378000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 112.83169189\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18374497 0.51828135 0.97038816 1\n C C1 1 0.90449268 0.85003602 0.98286605 1\n C C2 1 -0.04643824 0.17474495 0.19219670 1\n C C3 1 0.60786414 0.09664143 0.73239357 1\n C C4 1 1.17729012 0.37123655 0.83613812 1\n C C5 1 0.38993067 0.88426258 0.09029834 1\n C C6 1 0.78715750 0.20401830 0.52337598 1\n C C7 1 0.44871135 0.49315959 0.28368464 1\n C C8 1 0.38059231 0.73824593 0.27646796 1\n C C9 1 0.30758493 0.48540757 0.63062933 1\n C C10 1 0.99975446 0.41872941 0.18241238 1\n C C11 1 -0.24133061 0.64704734 0.92057288 1\n C C12 1 0.87585567 0.76217046 0.71555379 1\n C C13 1 1.34136088 0.35421544 0.48629737 1\n C C14 1 0.61017208 0.23617205 0.87496504 1\n C C15 1 -0.12568020 1.03421114 0.39540227 1\n C C16 1 1.03088255 0.96583914 0.77756434 1\n C C17 1 0.37777461 0.71816268 0.61020877 1\n C C18 1 0.47175024 0.11890731 0.08925590 1\n C C19 1 0.38051448 0.86866017 0.42149661 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.12267000\n_cell_length_b 3.33300000\n_cell_length_c 4.82776000\n_cell_angle_alpha 100.25263000\n_cell_angle_beta 104.99786000\n_cell_angle_gamma 111.11412000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.17715360\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36480902 0.49493201 0.31287539 1\n C C1 1 1.02066869 0.14656089 0.61722661 1\n C C2 1 0.57618754 0.70690684 0.11818286 1\n C C3 1 0.63482447 0.76551603 0.61664003 1\n C C4 1 0.42392735 0.55326135 0.81150879 1\n C C5 1 0.97895593 0.11405008 0.31208152 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55165000\n_cell_length_b 5.24022000\n_cell_length_c 4.26587000\n_cell_angle_alpha 114.02347000\n_cell_angle_beta 89.94619000\n_cell_angle_gamma 77.45707000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.59952563\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05050797 0.65907520 0.50809150 1\n C C1 1 0.94926188 0.65907085 0.13579604 1\n C C2 1 0.65449408 0.22233086 0.94212271 1\n C C3 1 0.51360811 0.51275422 0.93153317 1\n C C4 1 0.79230033 0.98113308 0.64386327 1\n C C5 1 0.65447350 0.22237459 0.26507968 1\n C C6 1 0.79235012 0.98112079 0.32202982 1\n C C7 1 0.51377154 0.51273751 0.56593142 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54915000\n_cell_length_b 2.44096000\n_cell_length_c 6.50863000\n_cell_angle_alpha 89.80100000\n_cell_angle_beta 78.40417000\n_cell_angle_gamma 88.25972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.65409100\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11716703 0.68427834 0.20019634 1\n C C1 1 0.17096720 0.18250692 0.09215421 1\n C C2 1 0.44865100 -0.31937278 0.53358766 1\n C C3 1 0.00213507 0.68337853 0.42948969 1\n C C4 1 0.28155298 0.18030893 0.87062236 1\n C C5 1 0.33383022 0.67868275 0.76309294 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44506000\n_cell_length_b 4.59290000\n_cell_length_c 7.14426000\n_cell_angle_alpha 59.68998000\n_cell_angle_beta 89.95008000\n_cell_angle_gamma 74.51404000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.87825697\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24864688 1.02207022 0.29052242 1\n C C1 1 -0.00885504 0.53763257 0.64019277 1\n C C2 1 0.88312129 0.75432112 0.74447485 1\n C C3 1 0.56002964 0.40151081 0.39283283 1\n C C4 1 0.33202813 0.86051002 0.78491562 1\n C C5 1 0.45204630 0.61747627 0.49738014 1\n C C6 1 0.71275276 0.09747311 0.97100195 1\n C C7 1 0.72961227 1.05967185 0.16655300 1\n C C8 1 0.11262320 0.29466689 0.35290977 1\n C C9 1 0.19557167 0.13340914 0.84733585 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50576000\n_cell_length_b 4.25040000\n_cell_length_c 4.81100000\n_cell_angle_alpha 63.74286000\n_cell_angle_beta 89.97481000\n_cell_angle_gamma 89.92641000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.95242139\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06323368 0.09236817 0.21572552 1\n C C1 1 1.06311292 0.38564473 0.89566505 1\n C C2 1 0.56387998 0.62672952 0.41236371 1\n C C3 1 0.56320823 0.33344596 0.73217933 1\n C C4 1 0.06320890 0.75173020 0.89568381 1\n C C5 1 0.56331613 0.99380268 0.41233275 1\n C C6 1 0.06375489 0.72508812 0.21576869 1\n C C7 1 0.56312488 -0.03259118 -0.26783596 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53959000\n_cell_length_b 7.17345000\n_cell_length_c 7.27143000\n_cell_angle_alpha 85.37444000\n_cell_angle_beta 97.76208000\n_cell_angle_gamma 77.33387000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 127.22461243\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29217519 0.07963460 0.68425279 1\n C C1 1 0.36648490 1.21884061 0.01671613 1\n C C2 1 0.51170699 0.87318992 0.80277029 1\n C C3 1 -0.02777695 0.48555521 0.74580453 1\n C C4 1 0.53127931 0.40374951 0.64471357 1\n C C5 1 0.83207574 0.53970806 0.10132971 1\n C C6 1 0.52143541 0.14573094 0.20819612 1\n C C7 1 0.74588443 0.94475989 0.45028700 1\n C C8 1 1.03733263 0.20543895 0.30855851 1\n C C9 1 0.45413573 0.47002345 0.42584055 1\n C C10 1 1.37302453 0.68023230 0.42642560 1\n C C11 1 0.97552453 0.40565408 0.95025985 1\n C C12 1 0.20038998 1.05285995 0.48400560 1\n C C13 1 0.87258024 0.70062613 0.72305102 1\n C C14 1 0.24613609 0.67172987 0.07605476 1\n C C15 1 0.87965313 0.74511473 0.52256705 1\n C C16 1 0.73456008 0.18976699 0.72526976 1\n C C17 1 0.82593731 0.21591568 0.92321210 1\n C C18 1 0.94706441 0.41804243 0.31853546 1\n C C19 1 0.23469029 0.80604309 0.22866368 1\n C C20 1 0.67171087 0.92734885 0.24447724 1\n C C21 1 0.09867737 0.79072087 0.88295469 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43144000\n_cell_length_b 4.10887000\n_cell_length_c 8.70611000\n_cell_angle_alpha 82.68795000\n_cell_angle_beta 73.74343000\n_cell_angle_gamma 90.01832000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 82.76246351\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46216396 0.62825486 0.96654245 1\n C C1 1 0.15126160 0.15910801 0.26925048 1\n C C2 1 0.66410150 0.28012665 0.76043611 1\n C C3 1 0.94553076 0.77844681 -0.01594231 1\n C C4 1 0.73117544 0.13818982 0.18918595 1\n C C5 1 0.98810637 0.21331334 0.43274662 1\n C C6 1 0.48850121 0.28615618 0.93679555 1\n C C7 1 0.40857342 0.23806894 0.51312370 1\n C C8 1 0.24488643 0.27494324 0.67881226 1\n C C9 1 0.91172971 1.12100625 0.01329179 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46953000\n_cell_length_b 3.23835000\n_cell_length_c 5.18423000\n_cell_angle_alpha 90.15342000\n_cell_angle_beta 89.99850000\n_cell_angle_gamma 67.51569000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.30761409\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51676683 0.49812251 0.78654310 1\n C C1 1 0.33456798 0.86012701 1.00620999 1\n C C2 1 0.83497560 -0.14078621 0.15895831 1\n C C3 1 1.15447392 0.22141031 0.78657497 1\n C C4 1 0.33612457 0.85753531 0.56862782 1\n C C5 1 0.83637320 0.85660397 0.41573671 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.56908000\n_cell_length_b 5.26118000\n_cell_length_c 4.71721000\n_cell_angle_alpha 63.76233000\n_cell_angle_beta 75.21261000\n_cell_angle_gamma 70.42605000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 95.06151996\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37889532 0.25411167 0.36958488 1\n C C1 1 0.89516244 0.68835999 0.68976787 1\n C C2 1 0.87901443 0.22771860 0.40655250 1\n C C3 1 0.66743495 0.70113180 -0.01436303 1\n C C4 1 0.37743296 0.90725127 0.53398383 1\n C C5 1 1.05336640 0.92202962 0.10608034 1\n C C6 1 0.65514553 0.35068645 0.17479323 1\n C C7 1 0.85889295 0.22577286 0.94685174 1\n C C8 1 0.06302436 0.91889948 0.45393567 1\n C C9 1 0.10142083 0.39858143 -0.13784103 1\n C C10 1 0.09834779 0.40426408 0.20545929 1\n C C11 1 0.68467360 0.66283822 0.51005648 1\n C C12 1 0.38538141 0.24590375 0.70901262 1\n C C13 1 0.87577450 0.69946758 0.18929507 1\n C C14 1 0.36713505 0.91682993 0.87512297 1\n C C15 1 0.69316219 1.32295976 0.66739658 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48786000\n_cell_length_b 4.30618000\n_cell_length_c 5.55845000\n_cell_angle_alpha 121.07756000\n_cell_angle_beta 102.94550000\n_cell_angle_gamma 106.78960000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47892155\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36165058 0.54340121 0.01597977 1\n C C1 1 0.36149262 0.04347776 0.51582591 1\n C C2 1 0.86102804 0.29320935 0.26574916 1\n C C3 1 0.23556653 0.23072527 0.07821663 1\n C C4 1 0.73625812 0.48092133 0.82836892 1\n C C5 1 0.23562210 0.73060564 0.57814153 1\n C C6 1 0.73597044 0.98073775 0.32831455 1\n C C7 1 0.86109629 0.79335099 0.76570463 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.48902000\n_cell_length_b 4.59950000\n_cell_length_c 3.79197000\n_cell_angle_alpha 57.18601000\n_cell_angle_beta 70.44622000\n_cell_angle_gamma 43.60766000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.15847533\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78485791 0.65710171 0.22430497 1\n C C1 1 -0.01922623 0.93678455 0.38073391 1\n C C2 1 0.41438989 0.15727577 0.90483003 1\n C C3 1 0.63737988 0.64487660 0.65169373 1\n C C4 1 0.95669756 0.32773128 0.04502672 1\n C C5 1 0.29998021 0.61970078 0.77415708 1\n C C6 1 0.15277470 0.60730329 0.20165549 1\n C C7 1 0.52311377 0.10715602 0.52117887 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49422000\n_cell_length_b 4.45502000\n_cell_length_c 7.48467000\n_cell_angle_alpha 83.57581000\n_cell_angle_beta 90.00986000\n_cell_angle_gamma 89.99471000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.64592218\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60090232 0.60277470 0.40071110 1\n C C1 1 0.10074496 0.73246411 0.07772436 1\n C C2 1 0.60127718 0.54950593 0.62788879 1\n C C3 1 0.10060439 0.27536877 0.20167480 1\n C C4 1 1.10078204 0.54841760 0.29468980 1\n C C5 1 0.60116261 0.23092879 0.73624098 1\n C C6 1 1.10127930 0.72717190 0.66050874 1\n C C7 1 0.10057732 0.40606698 1.00687981 1\n C C8 1 1.10097848 -0.01892933 0.50890865 1\n C C9 1 0.60070067 0.26079640 0.93417947 1\n C C10 1 0.60063976 0.92660529 0.06186966 1\n C C11 1 0.60089972 -0.06191633 0.40843087 1\n C C12 1 0.10122677 0.06919914 0.68806610 1\n C C13 1 0.60063129 0.09527914 0.22767067 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68302000\n_cell_length_b 5.46542000\n_cell_length_c 4.64056000\n_cell_angle_alpha 84.39544000\n_cell_angle_beta 73.64628000\n_cell_angle_gamma 76.89132000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.23896605\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68112037 0.52659302 -0.01078477 1\n C C1 1 0.30058274 0.31067346 0.79672497 1\n C C2 1 0.38385192 1.03643878 0.87755244 1\n C C3 1 0.24965746 0.06721099 0.42998688 1\n C C4 1 0.61880037 0.65832657 0.48224563 1\n C C5 1 0.02148152 0.45732824 0.04067819 1\n C C6 1 1.05846330 0.54267424 0.32169969 1\n C C7 1 0.44563719 -0.09010447 0.60723652 1\n C C8 1 0.39998413 0.66946557 0.23624837 1\n C C9 1 0.08170999 0.31968607 0.55112647 1\n C C10 1 0.30683498 -0.05629093 0.15961413 1\n C C11 1 0.64357514 0.43529096 0.71068259 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.82532000\n_cell_length_b 4.95782000\n_cell_length_c 5.01025000\n_cell_angle_alpha 101.33126000\n_cell_angle_beta 65.90745000\n_cell_angle_gamma 80.10511000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 102.94504124\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.17792623 0.36438182 0.34405170 1\n C C1 1 0.39822255 0.64432604 0.07063119 1\n C C2 1 0.75914790 0.10606431 0.60917298 1\n C C3 1 0.20571650 0.90885102 0.80796933 1\n C C4 1 0.61398845 0.53932643 0.17378935 1\n C C5 1 0.44324603 0.82330774 0.88902619 1\n C C6 1 0.47525509 0.36238292 0.34661172 1\n C C7 1 0.25033830 0.08903910 0.62690548 1\n C C8 1 -0.06519876 0.81491747 0.89947592 1\n C C9 1 0.52025808 0.18933764 0.52550188 1\n C C10 1 0.12925980 0.54263268 0.17097378 1\n C C11 1 -0.11014060 0.62660868 1.08819656 1\n C C12 1 1.03535511 0.19227359 0.52226465 1\n C C13 1 0.71507834 0.91683448 0.79660528 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41153000\n_cell_length_b 5.68116000\n_cell_length_c 5.97156000\n_cell_angle_alpha 74.45465000\n_cell_angle_beta 64.26737000\n_cell_angle_gamma 84.37504000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 100.42338062\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.24425211 0.50216347 0.37227644 1\n C C1 1 0.40722743 0.35679543 0.95997416 1\n C C2 1 0.94435626 0.43808795 0.11029900 1\n C C3 1 0.39560835 0.89501242 0.50017890 1\n C C4 1 0.36042428 0.32127749 0.54627167 1\n C C5 1 0.62502078 -0.15360371 1.04985741 1\n C C6 1 0.91419406 0.04758017 1.01254358 1\n C C7 1 0.44167398 0.72114236 0.34562400 1\n C C8 1 0.31830719 0.20540664 0.80721664 1\n C C9 1 0.90166191 0.65766113 0.91659088 1\n C C10 1 0.35328112 0.94543529 -0.08266349 1\n C C11 1 0.34657125 0.77766064 0.75940975 1\n C C12 1 0.64453606 0.23577138 0.13456079 1\n C C13 1 0.69248888 0.58231471 0.76862189 1\n C C14 1 0.02774901 0.53343643 0.50785587 1\n C C15 1 0.39949946 0.13555710 0.40994771 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.78537000\n_cell_length_b 3.31899000\n_cell_length_c 4.39204000\n_cell_angle_alpha 59.14543000\n_cell_angle_beta 83.79433000\n_cell_angle_gamma 84.07174000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.01871623\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52341138 -0.01460461 0.36457057 1\n C C1 1 0.06852553 0.49297194 0.57912299 1\n C C2 1 0.18889606 0.33234794 0.31467158 1\n C C3 1 0.24331520 0.73546527 0.96348374 1\n C C4 1 0.53186076 0.03821943 -0.01822136 1\n C C5 1 0.37705276 0.54469498 -0.27527275 1\n C C6 1 0.88576600 0.97599811 0.47076491 1\n C C7 1 0.89663770 0.02909874 0.80309773 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50345000\n_cell_length_b 4.84759000\n_cell_length_c 6.90586000\n_cell_angle_alpha 68.47963000\n_cell_angle_beta 73.73388000\n_cell_angle_gamma 61.90871000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.18947589\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82446976 0.43447210 0.09548618 1\n C C1 1 0.87278241 -0.05499827 0.09106193 1\n C C2 1 0.80903209 0.47275250 -0.12703743 1\n C C3 1 -0.05077226 0.14033835 0.85336161 1\n C C4 1 0.73671248 0.73857859 0.71916682 1\n C C5 1 0.36373269 0.13691671 0.41521249 1\n C C6 1 0.71140325 0.77230177 0.49718941 1\n C C7 1 0.40179372 0.63203322 0.42156260 1\n C C8 1 0.50309349 0.73988406 0.16784455 1\n C C9 1 0.45869340 0.23436370 0.18141067 1\n C C10 1 0.66404841 0.26174328 0.50162439 1\n C C11 1 0.59775137 0.07253819 0.73724918 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47369000\n_cell_length_b 4.28184000\n_cell_length_c 4.11804000\n_cell_angle_alpha 90.01705000\n_cell_angle_beta 90.02516000\n_cell_angle_gamma 89.99487000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61804601\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04529953 0.10021018 0.69678476 1\n C C1 1 0.45478076 0.26674926 0.19678245 1\n C C2 1 0.95497407 0.76675379 0.19676568 1\n C C3 1 0.45469709 0.26690185 0.82271162 1\n C C4 1 0.95487971 0.10009774 0.32271379 1\n C C5 1 0.45501826 0.60009202 0.32269495 1\n C C6 1 -0.04494877 0.76690528 0.82268641 1\n C C7 1 0.45499741 0.60020178 0.69677023 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48763000\n_cell_length_b 4.06072000\n_cell_length_c 5.29488000\n_cell_angle_alpha 58.52558000\n_cell_angle_beta 89.99772000\n_cell_angle_gamma 89.99127000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.61729105\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79205352 0.67334601 0.71161434 1\n C C1 1 0.79177949 0.91539138 0.12882379 1\n C C2 1 1.29204390 0.32975939 0.48124183 1\n C C3 1 0.29177165 0.82826848 0.01477329 1\n C C4 1 0.29199613 0.90382143 0.70689141 1\n C C5 1 0.29214084 0.40471838 0.17306850 1\n C C6 1 0.79195497 0.56074770 0.47598938 1\n C C7 1 0.79214710 0.31838133 0.05837296 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42843000\n_cell_length_b 4.15522000\n_cell_length_c 6.27776000\n_cell_angle_alpha 75.83721000\n_cell_angle_beta 78.89315000\n_cell_angle_gamma 89.97592000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.19815615\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05499716 0.78496271 0.67792300 1\n C C1 1 0.60846097 0.75104620 0.57456910 1\n C C2 1 0.75655145 0.41823804 0.28800316 1\n C C3 1 -0.04700202 0.88445552 0.88234572 1\n C C4 1 0.28583467 -0.06355715 0.22218108 1\n C C5 1 0.72999497 0.75067566 0.33307513 1\n C C6 1 0.40129037 0.92606287 -0.01684392 1\n C C7 1 1.27146544 0.27271756 0.26099042 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43144000\n_cell_length_b 3.94924000\n_cell_length_c 6.41971000\n_cell_angle_alpha 46.23916000\n_cell_angle_beta 79.12037000\n_cell_angle_gamma 89.90922000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.99245604\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44592873 0.43953530 0.38275693 1\n C C1 1 0.11256987 0.43904747 0.04974745 1\n C C2 1 0.00058612 0.43602934 0.27302411 1\n C C3 1 0.33383218 0.43600943 0.60627014 1\n C C4 1 0.77902914 0.43827018 0.71644557 1\n C C5 1 0.66716256 0.43487988 -0.06002159 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43042000\n_cell_length_b 4.01369000\n_cell_length_c 5.47890000\n_cell_angle_alpha 96.36131000\n_cell_angle_beta 100.69913000\n_cell_angle_gamma 56.00913000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.54186354\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52154059 0.23602997 0.17283033 1\n C C1 1 1.18818524 -0.09738576 0.83954046 1\n C C2 1 0.07441524 0.12711653 0.06093338 1\n C C3 1 -0.14646351 0.56987549 0.50591982 1\n C C4 1 0.40597589 0.46156365 0.39396331 1\n C C5 1 0.74070785 0.79345193 0.72764390 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45891000\n_cell_length_b 6.46428000\n_cell_length_c 5.83640000\n_cell_angle_alpha 86.18236000\n_cell_angle_beta 102.17584000\n_cell_angle_gamma 100.96740000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 88.99308134\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51181771 0.70907873 0.00891473 1\n C C1 1 0.88366579 0.15672457 0.31194943 1\n C C2 1 0.61087005 0.48333591 0.43184658 1\n C C3 1 0.29028974 0.32207130 0.95308944 1\n C C4 1 0.24136459 0.81998238 0.36426906 1\n C C5 1 0.53914685 0.11104297 0.66484514 1\n C C6 1 1.08728114 0.76258043 0.10801551 1\n C C7 1 0.11626906 0.16479559 0.76391185 1\n C C8 1 0.77724732 0.57331338 0.67409884 1\n C C9 1 0.37967967 0.05287951 0.40833820 1\n C C10 1 0.01888690 0.38969337 0.34178592 1\n C C11 1 0.73755793 0.71603513 0.46004396 1\n C C12 1 -0.14707648 0.30090382 0.09883727 1\n C C13 1 0.33920775 0.55213031 0.81921346 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45108000\n_cell_length_b 4.91620000\n_cell_length_c 4.85970000\n_cell_angle_alpha 90.00016000\n_cell_angle_beta 90.01410000\n_cell_angle_gamma 90.06436000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.55934383\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49479251 0.80560079 0.41985453 1\n C C1 1 -0.00694051 0.43647479 0.67387994 1\n C C2 1 -0.00749874 0.60519182 0.91993749 1\n C C3 1 0.99534402 0.14602965 0.74849054 1\n C C4 1 0.99343163 0.43652927 0.16604473 1\n C C5 1 0.99377808 0.60165184 0.41997438 1\n C C6 1 0.49545034 0.97467883 0.15781158 1\n C C7 1 0.49493348 0.97471348 0.68152295 1\n C C8 1 -0.00409634 0.14607590 0.09138390 1\n C C9 1 0.49341674 0.78251822 0.91985386 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47756000\n_cell_length_b 2.47784000\n_cell_length_c 6.31071000\n_cell_angle_alpha 78.67925000\n_cell_angle_beta 78.67352000\n_cell_angle_gamma 59.98677000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67310879\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51397567 0.55106157 1.04821377 1\n C C1 1 0.73531619 0.77636689 0.37902884 1\n C C2 1 0.04149120 1.08146137 0.46197546 1\n C C3 1 0.95997902 0.99570706 0.71290422 1\n C C4 1 0.81847109 0.85789701 0.13180654 1\n C C5 1 0.59895943 0.63374661 0.79706358 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.99080000\n_cell_length_b 4.81856000\n_cell_length_c 3.64214000\n_cell_angle_alpha 67.75114000\n_cell_angle_beta 70.49928000\n_cell_angle_gamma 70.49289000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.47920879\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63088594 0.31998191 0.69816490 1\n C C1 1 0.62839970 0.12839674 0.48395629 1\n C C2 1 0.63192264 0.31911478 0.07917145 1\n C C3 1 0.62560846 0.62803120 0.42611856 1\n C C4 1 0.62801391 0.81956118 0.64044667 1\n C C5 1 0.62395285 0.62884471 0.04543753 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.72766000\n_cell_length_b 4.53645000\n_cell_length_c 4.38272000\n_cell_angle_alpha 58.39072000\n_cell_angle_beta 77.77449000\n_cell_angle_gamma 103.70664000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.07117250\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70922431 0.97572293 0.15595179 1\n C C1 1 0.48200327 0.11084460 0.25380750 1\n C C2 1 0.25748037 0.71829531 0.06989604 1\n C C3 1 0.25334058 1.07156077 0.07166854 1\n C C4 1 0.93734870 0.67778017 0.71115911 1\n C C5 1 0.25376545 -0.07795313 0.66468624 1\n C C6 1 -0.06324508 0.36360069 0.33821682 1\n C C7 1 0.93669661 0.31283908 0.71442272 1\n C C8 1 0.70920800 0.47331406 0.12442204 1\n C C9 1 0.25768714 0.27895051 0.66239286 1\n C C10 1 0.93737103 -0.00015794 0.34124234 1\n C C11 1 0.50543690 0.62254686 0.24217660 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43060000\n_cell_length_b 3.13336000\n_cell_length_c 6.70447000\n_cell_angle_alpha 92.04963000\n_cell_angle_beta 120.75300000\n_cell_angle_gamma 94.50164000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.57330231\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97914597 0.06129222 0.41541149 1\n C C1 1 0.64471976 0.17223999 0.52645491 1\n C C2 1 -0.02091299 0.72986484 0.08124452 1\n C C3 1 -0.02164757 0.39734163 0.74774849 1\n C C4 1 0.64591388 0.83862450 0.19341484 1\n C C5 1 0.64492195 0.50747152 0.85911166 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47795000\n_cell_length_b 2.47753000\n_cell_length_c 6.31092000\n_cell_angle_alpha 101.28454000\n_cell_angle_beta 90.01355000\n_cell_angle_gamma 120.00125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68401350\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57610398 0.42817997 0.35021114 1\n C C1 1 0.80089382 0.87272217 1.01886590 1\n C C2 1 0.66059631 0.59455707 0.60117208 1\n C C3 1 0.10683506 0.48383881 0.93553865 1\n C C4 1 0.88181954 0.03865711 0.26651159 1\n C C5 1 1.02223420 0.31645046 0.68470653 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46367000\n_cell_length_b 4.39145000\n_cell_length_c 8.39927000\n_cell_angle_alpha 103.99815000\n_cell_angle_beta 103.57172000\n_cell_angle_gamma 95.59126000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 84.55865655\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52521594 0.30331437 0.59078371 1\n C C1 1 0.85705313 0.72082731 0.14327534 1\n C C2 1 0.43383391 0.01566219 0.65654097 1\n C C3 1 0.01943255 0.02533161 0.76025055 1\n C C4 1 0.16923857 0.93247995 0.92355162 1\n C C5 1 -0.29549902 0.46028264 -0.02699545 1\n C C6 1 1.04523347 0.43244302 0.56178282 1\n C C7 1 0.70489918 0.80083388 0.97431549 1\n C C8 1 0.15347837 0.27701870 0.92736828 1\n C C9 1 0.55662210 0.72809861 0.39893374 1\n C C10 1 0.13359516 0.72156874 0.49746702 1\n C C11 1 0.43571924 0.73919828 0.23792281 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04797000\n_cell_length_b 2.42930000\n_cell_length_c 7.23096000\n_cell_angle_alpha 107.41544000\n_cell_angle_beta 123.17017000\n_cell_angle_gamma 80.96610000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.76066536\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66249193 0.58010740 0.94837567 1\n C C1 1 0.55174638 0.80257850 0.39286974 1\n C C2 1 0.21880310 0.46903592 0.72609047 1\n C C3 1 0.32883855 1.24693604 0.28180089 1\n C C4 1 0.88514973 0.13586455 0.05951570 1\n C C5 1 -0.00410472 0.91339346 0.61502163 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43087000\n_cell_length_b 4.13462000\n_cell_length_c 6.49498000\n_cell_angle_alpha 108.81388000\n_cell_angle_beta 110.57158000\n_cell_angle_gamma 87.85085000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.63916209\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.21959890 0.53724534 0.47546226 1\n C C1 1 0.94845938 0.37235506 0.64273525 1\n C C2 1 0.28039268 0.03726329 -0.02453490 1\n C C3 1 0.69841353 0.12226265 0.89267486 1\n C C4 1 0.53035657 0.28716188 0.72540739 1\n C C5 1 0.03034684 0.78717087 0.22540472 1\n C C6 1 0.44844965 -0.12763594 0.14273257 1\n C C7 1 0.19840512 0.62228060 0.39267771 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48759000\n_cell_length_b 4.30435000\n_cell_length_c 9.62577000\n_cell_angle_alpha 121.45947000\n_cell_angle_beta 97.43251000\n_cell_angle_gamma 90.00320000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 86.90030325\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08096106 0.28038500 0.18591930 1\n C C1 1 0.48436113 0.56151488 0.99837566 1\n C C2 1 0.45344702 0.15518708 0.93590061 1\n C C3 1 0.95359008 0.65523369 0.93594406 1\n C C4 1 0.86015522 0.43606914 0.74831928 1\n C C5 1 0.82820971 0.02973454 0.68583663 1\n C C6 1 0.36025449 0.93604272 0.74830491 1\n C C7 1 0.20386253 0.90454749 0.43589403 1\n C C8 1 0.32795080 0.52970189 0.68580023 1\n C C9 1 0.23343289 0.31064530 0.49819620 1\n C C10 1 0.73394203 0.81070635 0.49826313 1\n C C11 1 0.58156619 0.78039391 0.18597722 1\n C C12 1 1.11339828 0.68656787 0.24842696 1\n C C13 1 0.98407531 0.06152510 -0.00166191 1\n C C14 1 0.61280520 0.18650738 0.24834279 1\n C C15 1 0.70333947 0.40449217 0.43581471 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44625000\n_cell_length_b 6.28767000\n_cell_length_c 6.02257000\n_cell_angle_alpha 119.33839000\n_cell_angle_beta 78.26278000\n_cell_angle_gamma 101.24442000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.57011680\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81897590 -0.05922716 0.97555851 1\n C C1 1 0.70095616 0.73085766 0.00453459 1\n C C2 1 0.90878117 0.48919480 0.35287966 1\n C C3 1 0.20166389 0.26197718 0.54492052 1\n C C4 1 0.53269112 0.89587041 0.51765102 1\n C C5 1 0.32853118 0.40424575 0.42840976 1\n C C6 1 0.01974981 0.40741121 0.05192501 1\n C C7 1 0.51152000 0.26098803 -0.07837562 1\n C C8 1 0.62143851 0.17712588 0.62064066 1\n C C9 1 0.99876711 0.77061017 0.45713779 1\n C C10 1 0.14097699 0.63501036 0.02902802 1\n C C11 1 0.37989286 0.03513180 0.94835317 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45423000\n_cell_length_b 5.35892000\n_cell_length_c 4.59213000\n_cell_angle_alpha 95.52122000\n_cell_angle_beta 105.48287000\n_cell_angle_gamma 90.01938000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.91269871\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32943620 0.10488243 0.79843534 1\n C C1 1 0.78519779 0.25552210 0.70740375 1\n C C2 1 0.58044928 0.53521135 0.30049779 1\n C C3 1 0.21711668 0.86863020 0.57774059 1\n C C4 1 0.04392740 0.90314028 0.22748917 1\n C C5 1 0.72606955 0.70260555 0.59605320 1\n C C6 1 0.50148812 1.04969210 0.14213513 1\n C C7 1 0.61651307 0.27576431 0.36823207 1\n C C8 1 -0.00146859 0.61980544 0.13540095 1\n C C9 1 0.84319830 0.52651915 0.82291372 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45238000\n_cell_length_b 3.40225000\n_cell_length_c 5.34083000\n_cell_angle_alpha 97.93246000\n_cell_angle_beta 82.72709000\n_cell_angle_gamma 87.85320000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.53607817\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20137680 1.02925363 0.97824961 1\n C C1 1 0.51719771 0.25469029 0.11888524 1\n C C2 1 0.98563597 0.74170374 0.13996390 1\n C C3 1 1.23999448 0.79460597 0.72232419 1\n C C4 1 0.87526395 0.38671091 0.96875899 1\n C C5 1 -0.01905343 0.49930635 0.71344306 1\n C C6 1 0.34589805 -0.09385781 0.46663631 1\n C C7 1 0.01996022 0.26283632 0.45767075 1\n C C8 1 0.70427408 1.03649687 0.31675766 1\n C C9 1 0.23554739 0.55050663 0.29483300 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.80823000\n_cell_length_b 4.20521000\n_cell_length_c 3.59724000\n_cell_angle_alpha 90.14464000\n_cell_angle_beta 131.92092000\n_cell_angle_gamma 90.06061000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.11908242\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11478403 0.40935778 0.27171350 1\n C C1 1 0.26712357 0.57108867 0.07567167 1\n C C2 1 1.26626963 0.88734469 1.07390354 1\n C C3 1 0.11427565 0.04966322 0.27024526 1\n C C4 1 0.76716821 0.57114489 0.07552004 1\n C C5 1 0.41921822 0.40878188 0.87958699 1\n C C6 1 0.76626668 0.88729318 0.07391099 1\n C C7 1 0.41870950 1.04908238 0.87814281 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49093000\n_cell_length_b 3.59225000\n_cell_length_c 4.35367000\n_cell_angle_alpha 95.68322000\n_cell_angle_beta 73.37753000\n_cell_angle_gamma 110.25745000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01991378\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02122103 0.19881838 0.63263773 1\n C C1 1 0.87395485 0.56961506 0.21432446 1\n C C2 1 0.35016762 0.93957232 0.63238717 1\n C C3 1 1.16105586 0.93907160 0.00852118 1\n C C4 1 0.26840378 0.56995815 0.42658071 1\n C C5 1 0.79077422 0.19860310 1.00868496 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.49146000\n_cell_length_b 3.47492000\n_cell_length_c 4.85667000\n_cell_angle_alpha 65.82975000\n_cell_angle_beta 65.96513000\n_cell_angle_gamma 74.73355000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.76646579\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67840653 0.70600646 0.39461315 1\n C C1 1 0.75983198 0.46982767 0.18031003 1\n C C2 1 0.33916054 0.04405844 0.89476297 1\n C C3 1 0.59924302 0.62295205 0.94443195 1\n C C4 1 0.10278422 0.12667894 0.68051770 1\n C C5 1 0.25741435 0.96707563 0.44389999 1\n C C6 1 0.68260136 0.38641233 0.72985999 1\n C C7 1 0.02157239 1.04821027 0.22968922 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46682000\n_cell_length_b 3.38079000\n_cell_length_c 5.79958000\n_cell_angle_alpha 81.39077000\n_cell_angle_beta 64.78844000\n_cell_angle_gamma 68.60687000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.74391685\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50845972 0.23811671 0.64224077 1\n C C1 1 0.81951291 0.16128968 0.36760474 1\n C C2 1 0.53425229 0.98170911 0.24266296 1\n C C3 1 0.83329258 0.53488003 0.16706404 1\n C C4 1 0.54749176 0.35652204 0.04195813 1\n C C5 1 0.86157434 0.28343934 0.76692375 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.22389000\n_cell_length_b 3.28507000\n_cell_length_c 8.86892000\n_cell_angle_alpha 85.10720000\n_cell_angle_beta 93.37794000\n_cell_angle_gamma 56.14187000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 100.97556420\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28824711 0.31911981 0.16921833 1\n C C1 1 0.16710571 0.55103704 0.54368994 1\n C C2 1 0.44001011 0.35067065 0.67908220 1\n C C3 1 0.77125178 0.36303822 0.67693224 1\n C C4 1 0.37634066 0.16657095 0.80849011 1\n C C5 1 0.87492610 0.12336431 0.31560796 1\n C C6 1 -0.01128654 0.29188390 0.82553916 1\n C C7 1 0.61714452 0.61322276 0.39787992 1\n C C8 1 -0.09837664 0.43922303 0.18813685 1\n C C9 1 0.64808554 0.91808426 0.26512083 1\n C C10 1 0.31581679 0.59030810 0.05448319 1\n C C11 1 0.70248714 0.46907820 0.03513302 1\n C C12 1 0.22951860 0.73778689 0.41450636 1\n C C13 1 0.73034691 -0.21673220 0.90771930 1\n C C14 1 0.83577339 0.53921538 0.54633063 1\n C C15 1 -0.04356148 -0.01069070 0.95844507 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42429000\n_cell_length_b 4.21092000\n_cell_length_c 5.86995000\n_cell_angle_alpha 45.64589000\n_cell_angle_beta 90.17619000\n_cell_angle_gamma 90.10281000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.84694281\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44032197 0.13270160 -0.05696501 1\n C C1 1 -0.06041267 0.13170720 0.79231326 1\n C C2 1 0.44014461 0.53971581 0.88230879 1\n C C3 1 -0.06019603 0.53820692 0.44485290 1\n C C4 1 0.94023701 0.72483046 0.85237968 1\n C C5 1 0.43969090 0.72563980 0.29025059 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.45510000\n_cell_length_b 3.97378000\n_cell_length_c 4.67031000\n_cell_angle_alpha 81.01286000\n_cell_angle_beta 48.68923000\n_cell_angle_gamma 93.90835000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.68561949\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74871707 1.02038611 0.14393586 1\n C C1 1 1.06850292 0.33463594 0.50766344 1\n C C2 1 0.29785328 0.56971713 0.14375307 1\n C C3 1 0.30482439 0.57215077 0.82523571 1\n C C4 1 0.77774223 0.04469504 0.63775788 1\n C C5 1 0.61775478 0.88340783 0.50777619 1\n C C6 1 0.06268001 0.33102778 0.82620703 1\n C C7 1 0.58783222 0.86048939 1.01400462 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49277000\n_cell_length_b 3.69987000\n_cell_length_c 9.58255000\n_cell_angle_alpha 59.99764000\n_cell_angle_beta 82.54842000\n_cell_angle_gamma 70.37659000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.01225973\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33950794 1.20297319 0.76343446 1\n C C1 1 -0.01068868 0.40670084 0.25355518 1\n C C2 1 0.12156075 0.64459307 0.75231621 1\n C C3 1 0.56320499 0.50142134 0.00964020 1\n C C4 1 1.14994463 0.39062264 0.94250750 1\n C C5 1 0.51441553 0.93510923 0.68254309 1\n C C6 1 0.49181737 0.15569687 0.50023360 1\n C C7 1 0.57825173 0.29254394 0.18945269 1\n C C8 1 0.28735905 0.66858149 0.39928154 1\n C C9 1 0.36611390 -0.01551085 0.92699115 1\n C C10 1 0.78601908 -0.21971988 0.29002952 1\n C C11 1 0.08007261 0.04389412 0.43489595 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28716000\n_cell_length_b 3.28693000\n_cell_length_c 4.94675000\n_cell_angle_alpha 67.85037000\n_cell_angle_beta 67.86625000\n_cell_angle_gamma 81.85606000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.85555921\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34975853 0.53097850 0.91690989 1\n C C1 1 0.71132060 0.89248729 0.73609125 1\n C C2 1 0.35023733 0.25281551 0.23633303 1\n C C3 1 0.35009545 0.25264422 0.73639449 1\n C C4 1 0.71138500 0.89249211 0.23613728 1\n C C5 1 0.98895923 0.89221879 0.91687639 1\n C C6 1 0.34976734 0.53104208 0.41696946 1\n C C7 1 0.98909462 0.89239910 0.41681681 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45598000\n_cell_length_b 6.08512000\n_cell_length_c 6.17460000\n_cell_angle_alpha 87.15285000\n_cell_angle_beta 101.49066000\n_cell_angle_gamma 101.63374000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.56739244\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58833596 1.05892481 0.32966840 1\n C C1 1 0.59564049 0.56585655 0.83562893 1\n C C2 1 0.30100306 1.01257934 0.80788755 1\n C C3 1 0.59572885 0.41027934 0.99314603 1\n C C4 1 0.05632571 0.61610153 0.70942594 1\n C C5 1 0.59031487 0.90457354 0.48862755 1\n C C6 1 0.12749122 -0.14655749 0.61497324 1\n C C7 1 0.87801636 0.45619146 0.51714108 1\n C C8 1 0.12654546 0.18697855 0.27898034 1\n C C9 1 0.87765225 1.08838854 0.88551641 1\n C C10 1 0.05678069 0.28242396 0.04523414 1\n C C11 1 0.30124380 0.38032638 0.43943599 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.67306000\n_cell_length_b 4.82479000\n_cell_length_c 6.42657000\n_cell_angle_alpha 78.21205000\n_cell_angle_beta 71.28537000\n_cell_angle_gamma 76.63177000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 75.60883576\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60882348 0.39227658 0.37108668 1\n C C1 1 0.75705707 -0.06582403 0.13351410 1\n C C2 1 -0.04977278 0.74110604 0.77890147 1\n C C3 1 0.70067930 0.60322160 0.46753653 1\n C C4 1 0.70321760 0.88074267 0.35839378 1\n C C5 1 0.91201549 0.05317431 0.66067007 1\n C C6 1 0.60434851 0.57603683 0.70694339 1\n C C7 1 0.56415337 0.10402025 0.50023736 1\n C C8 1 0.69852639 0.44213657 0.14048321 1\n C C9 1 -0.26163914 0.21834008 1.01991101 1\n C C10 1 0.78786090 0.70977289 0.02210702 1\n C C11 1 0.71434560 0.27437970 0.80608199 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47790000\n_cell_length_b 5.56795000\n_cell_length_c 7.08512000\n_cell_angle_alpha 88.38127000\n_cell_angle_beta 100.09385000\n_cell_angle_gamma 89.98143000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 96.19935307\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07439982 0.68414274 0.40000344 1\n C C1 1 0.43154525 0.59356445 0.11176021 1\n C C2 1 0.38007967 0.35406034 1.01389415 1\n C C3 1 0.65951898 0.19417052 0.57730880 1\n C C4 1 0.56470211 0.06772113 0.38578824 1\n C C5 1 0.21731062 0.12093782 0.69232068 1\n C C6 1 0.98848104 0.60044427 0.22702491 1\n C C7 1 0.90667689 -0.03162852 0.06715278 1\n C C8 1 0.61268421 0.78446296 0.47551277 1\n C C9 1 0.37289195 0.84514822 0.99795126 1\n C C10 1 0.72664560 0.45808092 0.70869371 1\n C C11 1 0.26171245 0.85428257 0.77457225 1\n C C12 1 0.00513460 0.09150068 0.26522311 1\n C C13 1 0.91186718 0.22839693 0.07758967 1\n C C14 1 0.27457221 0.35705164 0.80202575 1\n C C15 1 0.71832341 0.73673612 0.68971507 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44902000\n_cell_length_b 3.95614000\n_cell_length_c 4.54215000\n_cell_angle_alpha 86.21309000\n_cell_angle_beta 105.61252000\n_cell_angle_gamma 90.04427000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.28450782\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84031107 0.69352635 0.54521262 1\n C C1 1 0.55767133 0.89582135 -0.01367619 1\n C C2 1 0.71275535 1.03241907 0.29357468 1\n C C3 1 0.99157550 0.82795700 0.85251057 1\n C C4 1 0.24161524 0.21855761 0.35105747 1\n C C5 1 0.30961851 0.50998982 0.48527405 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48813000\n_cell_length_b 4.30477000\n_cell_length_c 4.30577000\n_cell_angle_alpha 60.00117000\n_cell_angle_beta 54.71889000\n_cell_angle_gamma 73.20509000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60425743\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36129017 0.59769143 0.16469483 1\n C C1 1 0.36129017 0.26435810 0.83136150 1\n C C2 1 0.36129017 0.93102476 0.49802817 1\n C C3 1 0.61156707 0.59777310 0.41457733 1\n C C4 1 0.61156707 0.26443977 0.08124400 1\n C C5 1 0.61156707 0.93110644 0.74791067 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.92800000\n_cell_length_b 4.98279000\n_cell_length_c 3.80565000\n_cell_angle_alpha 105.54297000\n_cell_angle_beta 88.61755000\n_cell_angle_gamma 122.97484000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.51502895\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67680743 0.97947763 0.86606393 1\n C C1 1 0.24086806 0.06661835 0.39162333 1\n C C2 1 0.06020643 0.59526470 1.09411961 1\n C C3 1 0.38594793 0.92094712 0.09492784 1\n C C4 1 0.30111204 0.35660117 0.62434544 1\n C C5 1 1.00271225 0.30543044 0.86520151 1\n C C6 1 0.62699375 0.68239240 0.62287555 1\n C C7 1 0.91462372 0.74072118 0.39035328 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48184000\n_cell_length_b 3.68978000\n_cell_length_c 4.84203000\n_cell_angle_alpha 57.42158000\n_cell_angle_beta 104.83342000\n_cell_angle_gamma 109.66803000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02738901\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94798815 0.86530858 0.79662185 1\n C C1 1 0.48975474 0.44884486 0.30069076 1\n C C2 1 0.91146674 0.16113336 0.43164864 1\n C C3 1 0.17190892 0.10410742 1.00343099 1\n C C4 1 0.69131013 0.92204960 0.22501004 1\n C C5 1 0.36958633 0.57774227 0.92750412 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40114000\n_cell_length_b 4.17406000\n_cell_length_c 4.44249000\n_cell_angle_alpha 75.08913000\n_cell_angle_beta 68.60192000\n_cell_angle_gamma 75.52721000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.88349764\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35957936 0.28277367 0.78279704 1\n C C1 1 0.00086006 0.49734281 0.32789225 1\n C C2 1 0.24506472 -0.06513112 -0.14261793 1\n C C3 1 0.41935476 0.37135343 0.07566556 1\n C C4 1 0.06175813 0.58409220 0.62111702 1\n C C5 1 0.17694775 0.93199577 0.54660250 1\n C C6 1 0.77731255 0.19849434 0.48872676 1\n C C7 1 0.64328467 0.67017864 0.91519614 1\n C C8 1 0.57521879 0.06833830 0.29078325 1\n C C9 1 0.84606502 0.80123748 0.11275940 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49181000\n_cell_length_b 5.13349000\n_cell_length_c 7.46317000\n_cell_angle_alpha 94.54677000\n_cell_angle_beta 79.96254000\n_cell_angle_gamma 86.91576000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.48682696\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31644568 0.82714607 0.23638975 1\n C C1 1 0.17206528 0.58867599 0.77446691 1\n C C2 1 0.32780604 0.62062454 0.08149713 1\n C C3 1 0.43480190 0.07500618 0.13618693 1\n C C4 1 0.75991910 0.81978823 0.35045230 1\n C C5 1 0.72309952 0.59689100 0.47829513 1\n C C6 1 0.25539247 0.77880301 -0.07707058 1\n C C7 1 0.69936947 -0.04446596 0.93833113 1\n C C8 1 0.91370426 0.12213227 0.79462369 1\n C C9 1 0.65957952 1.06169892 0.49189367 1\n C C10 1 0.10044102 -0.00214705 0.60572389 1\n C C11 1 1.15977439 0.68051017 0.59520774 1\n C C12 1 1.00585335 0.36849812 0.85740176 1\n C C13 1 -0.25170584 0.31367597 0.39345686 1\n C C14 1 0.86780364 0.24036563 0.18788521 1\n C C15 1 -0.13091130 0.45329800 0.06220649 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45247000\n_cell_length_b 4.53933000\n_cell_length_c 5.95581000\n_cell_angle_alpha 43.08111000\n_cell_angle_beta 78.05306000\n_cell_angle_gamma 74.25926000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.58518035\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16550862 0.58767839 0.64350264 1\n C C1 1 0.26783619 0.07580369 -0.04928482 1\n C C2 1 0.69550980 0.71757097 0.45418472 1\n C C3 1 0.43267840 0.87352805 0.82628521 1\n C C4 1 0.73697593 -0.05370880 0.14000245 1\n C C5 1 0.00348726 0.78928911 0.76838911 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45081000\n_cell_length_b 5.25574000\n_cell_length_c 11.23965000\n_cell_angle_alpha 86.48347000\n_cell_angle_beta 87.12626000\n_cell_angle_gamma 90.05870000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 144.32037601\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10236517 0.47960306 0.84955823 1\n C C1 1 0.64548148 0.48077156 0.65567041 1\n C C2 1 1.21514256 0.97412672 0.69955123 1\n C C3 1 0.78924401 0.53387061 0.19470202 1\n C C4 1 0.29898664 0.57180256 0.11503591 1\n C C5 1 0.28360722 0.13583105 0.27711179 1\n C C6 1 0.79898162 0.22834198 0.21296596 1\n C C7 1 1.24145204 -0.03645303 0.45323477 1\n C C8 1 0.83680455 0.18996074 0.08330032 1\n C C9 1 0.37573363 0.33914040 0.04053397 1\n C C10 1 0.12107231 0.48005581 0.71651636 1\n C C11 1 1.19981950 0.97692620 0.83007360 1\n C C12 1 0.71808001 0.96245827 0.64184073 1\n C C13 1 0.72764943 0.87329383 0.52096966 1\n C C14 1 0.19678537 0.72623817 0.89444296 1\n C C15 1 0.68767905 0.08146787 0.88796640 1\n C C16 1 -0.24436536 0.95674950 0.01954630 1\n C C17 1 0.57562717 0.35187194 0.90505478 1\n C C18 1 0.25662552 0.79162531 0.02324254 1\n C C19 1 0.74328427 0.43271444 0.41756428 1\n C C20 1 0.70485486 0.57448535 0.52986105 1\n C C21 1 0.77458016 0.67201798 0.31228564 1\n C C22 1 0.27225484 0.84184760 0.32915661 1\n C C23 1 0.25022374 0.25725296 0.40130907 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42719000\n_cell_length_b 6.32554000\n_cell_length_c 5.59838000\n_cell_angle_alpha 95.78136000\n_cell_angle_beta 103.12435000\n_cell_angle_gamma 100.99744000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.23297303\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.09492985 0.86832572 0.56802141 1\n C C1 1 0.70626779 0.72327584 0.31652733 1\n C C2 1 0.95959353 0.39151295 0.15658394 1\n C C3 1 0.44644655 0.80368622 0.71162033 1\n C C4 1 0.63799468 0.94806625 0.96220374 1\n C C5 1 0.22543262 0.05424665 0.03104553 1\n C C6 1 0.60524506 0.22146646 0.60835190 1\n C C7 1 1.38525949 0.27722436 1.12763423 1\n C C8 1 0.31971969 0.56361128 0.70034355 1\n C C9 1 0.11808662 0.61537027 0.24879420 1\n C C10 1 0.75615810 0.45227322 0.67813434 1\n C C11 1 0.03766770 0.10970699 0.58129841 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42806000\n_cell_length_b 4.20147000\n_cell_length_c 8.59880000\n_cell_angle_alpha 40.03722000\n_cell_angle_beta 90.15028000\n_cell_angle_gamma 89.99960000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.42848627\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53980100 0.63552444 0.40174312 1\n C C1 1 0.54011337 0.96598291 0.40338607 1\n C C2 1 0.53827296 0.13556169 0.90167378 1\n C C3 1 0.03980413 0.46604115 0.40335079 1\n C C4 1 0.53876639 0.46602250 -0.09668096 1\n C C5 1 0.04010144 0.13555444 0.40172048 1\n C C6 1 1.03876291 1.63563802 -0.09838151 1\n C C7 1 1.03827960 -0.03389175 0.90326424 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44295000\n_cell_length_b 4.22214000\n_cell_length_c 10.43108000\n_cell_angle_alpha 107.84171000\n_cell_angle_beta 97.46698000\n_cell_angle_gamma 89.96558000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 101.46051614\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11429918 0.74107096 0.75180502 1\n C C1 1 0.87577599 0.25571466 0.33419295 1\n C C2 1 0.87460278 0.51589009 0.05746224 1\n C C3 1 0.87671440 0.93085099 0.33580979 1\n C C4 1 0.37307825 1.01413224 0.05554750 1\n C C5 1 -0.12625872 0.18248280 0.05673681 1\n C C6 1 0.39354254 0.44933595 0.36744904 1\n C C7 1 0.12664664 0.10079447 0.77513220 1\n C C8 1 0.37319870 0.68146968 0.05590507 1\n C C9 1 0.62809934 0.26756937 0.77867244 1\n C C10 1 1.02335645 0.65092228 0.59158636 1\n C C11 1 0.37890866 0.77081361 0.34022435 1\n C C12 1 0.63133519 0.59623286 0.78334863 1\n C C13 1 0.48660808 0.60076662 0.52715141 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47032000\n_cell_length_b 3.38408000\n_cell_length_c 10.90595000\n_cell_angle_alpha 102.25410000\n_cell_angle_beta 96.45355000\n_cell_angle_gamma 111.44276000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.09788209\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54850969 0.24604442 0.73642931 1\n C C1 1 0.46806603 0.33961199 0.49598263 1\n C C2 1 0.28311215 0.41448632 0.03748248 1\n C C3 1 0.46079694 0.96625101 0.83700833 1\n C C4 1 0.20054349 0.48468332 0.79935894 1\n C C5 1 0.81855381 0.10365702 0.43284572 1\n C C6 1 0.64694296 -0.10516264 0.29533057 1\n C C7 1 1.05691797 0.77820559 0.23262585 1\n C C8 1 0.72813331 0.82067969 0.53353791 1\n C C9 1 0.38023391 0.05948396 0.59647615 1\n C C10 1 0.87304809 0.53176682 0.10014891 1\n C C11 1 0.11042966 0.20235552 0.90010431 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45904000\n_cell_length_b 7.62645000\n_cell_length_c 8.91879000\n_cell_angle_alpha 119.92011000\n_cell_angle_beta 102.47943000\n_cell_angle_gamma 91.85073000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 139.59078578\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11564388 0.31982065 0.07629361 1\n C C1 1 0.05230932 0.43347642 -0.00102035 1\n C C2 1 0.61705345 0.75150580 0.08683377 1\n C C3 1 0.37160151 0.47417439 0.77306525 1\n C C4 1 0.73398428 0.71087422 0.36144151 1\n C C5 1 0.86918602 0.56765879 0.74324793 1\n C C6 1 0.77140378 0.85049775 0.29463776 1\n C C7 1 1.19072827 0.25922993 0.62589477 1\n C C8 1 0.62214442 0.13642200 0.56283216 1\n C C9 1 0.35343740 -0.01123520 0.35731145 1\n C C10 1 0.41016221 0.89023627 0.82729850 1\n C C11 1 0.23401414 0.64457230 0.39160071 1\n C C12 1 0.64795525 0.26114096 0.12109501 1\n C C13 1 0.94227913 0.81592661 0.86891960 1\n C C14 1 0.53146665 0.51412162 -0.03324948 1\n C C15 1 -0.20022359 0.52901947 0.56133484 1\n C C16 1 0.31382596 -0.01776560 0.72546795 1\n C C17 1 0.26586537 0.55268319 0.49552667 1\n C C18 1 0.72284762 0.15955389 0.21081751 1\n C C19 1 1.09367012 0.84074473 0.05315210 1\n C C20 1 0.76363449 1.01973870 0.66470287 1\n C C21 1 0.23216341 0.06801202 0.22686079 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47990000\n_cell_length_b 3.68786000\n_cell_length_c 4.89745000\n_cell_angle_alpha 93.01068000\n_cell_angle_beta 120.38222000\n_cell_angle_gamma 109.61757000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00722880\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78029009 0.07344716 0.69372319 1\n C C1 1 0.65679395 0.67612284 0.76936572 1\n C C2 1 0.20920972 0.51919307 0.90027212 1\n C C3 1 1.03838626 1.03298958 0.47157470 1\n C C4 1 1.16126204 0.42995413 0.39555626 1\n C C5 1 0.60920834 0.58727061 0.26503320 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48302000\n_cell_length_b 3.82216000\n_cell_length_c 5.22498000\n_cell_angle_alpha 98.73499000\n_cell_angle_beta 90.10116000\n_cell_angle_gamma 108.90712000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.29910429\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63028645 0.40347265 0.70363168 1\n C C1 1 0.66830349 0.47780439 0.42387599 1\n C C2 1 0.87005903 0.88126779 0.48211481 1\n C C3 1 0.90563595 -0.04385097 0.20257501 1\n C C4 1 0.41733989 0.97547749 0.64739024 1\n C C5 1 0.12087625 0.38381595 0.25910226 1\n C C6 1 0.24121021 0.62577883 0.81014331 1\n C C7 1 0.29441574 0.73322157 0.09674550 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32670000\n_cell_length_b 4.27216000\n_cell_length_c 4.91905000\n_cell_angle_alpha 119.47444000\n_cell_angle_beta 86.76032000\n_cell_angle_gamma 105.21850000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.50799972\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97963348 -0.02532374 0.72518674 1\n C C1 1 0.69635820 0.16102386 0.19659830 1\n C C2 1 0.22658225 0.97341840 0.48340763 1\n C C3 1 -0.01447551 0.28946966 0.03570572 1\n C C4 1 0.66990821 0.65639179 0.71990340 1\n C C5 1 0.53643618 0.29167296 0.48853205 1\n C C6 1 0.51148105 0.78686273 0.01237343 1\n C C7 1 0.22053304 0.65866253 0.17271245 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31745000\n_cell_length_b 3.33591000\n_cell_length_c 4.67989000\n_cell_angle_alpha 110.89034000\n_cell_angle_beta 89.81171000\n_cell_angle_gamma 90.17563000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.38614425\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35817698 0.71818392 -0.02483876 1\n C C1 1 0.68490947 0.35553549 0.95401816 1\n C C2 1 0.72710161 0.37298268 0.28442295 1\n C C3 1 0.62595271 0.89396710 0.78814643 1\n C C4 1 0.46227494 0.73516568 0.47147064 1\n C C5 1 0.40135118 0.03174618 0.30589000 1\n C C6 1 1.10757464 0.40454060 0.45819425 1\n C C7 1 -0.02272882 0.57777366 0.80221913 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48778000\n_cell_length_b 3.51644000\n_cell_length_c 4.97608000\n_cell_angle_alpha 89.99400000\n_cell_angle_beta 90.00595000\n_cell_angle_gamma 90.00261000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.53138975\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51677894 0.10860246 0.76250054 1\n C C1 1 0.51661892 0.85874418 0.01250054 1\n C C2 1 1.01665763 0.60860321 0.01250054 1\n C C3 1 0.01665763 0.60860321 0.51250054 1\n C C4 1 0.51677894 1.10860246 0.26250054 1\n C C5 1 0.51661892 0.85874418 0.51250054 1\n C C6 1 0.01688655 0.35874524 0.26250054 1\n C C7 1 1.01688655 0.35874524 0.76250054 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.85761000\n_cell_length_b 4.34938000\n_cell_length_c 3.93396000\n_cell_angle_alpha 69.87113000\n_cell_angle_beta 81.00032000\n_cell_angle_gamma 42.80252000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.21199270\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25553490 0.96958638 0.02498054 1\n C C1 1 0.76971739 0.08493264 0.20614785 1\n C C2 1 0.13046956 0.64665620 0.82704579 1\n C C3 1 0.68801049 0.56745040 0.56542172 1\n C C4 1 0.52256122 0.48532828 0.35314778 1\n C C5 1 0.44179117 0.96679286 0.71302573 1\n C C6 1 0.37647383 0.36138401 0.62348699 1\n C C7 1 -0.04500634 1.08328320 0.89220664 1\n C C8 1 1.07845829 0.40797356 0.08831270 1\n C C9 1 0.83371509 0.69162988 0.29351627 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47356000\n_cell_length_b 3.26037000\n_cell_length_c 8.32385000\n_cell_angle_alpha 86.86059000\n_cell_angle_beta 81.44684000\n_cell_angle_gamma 67.65162000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.39672496\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.22432241 0.91067838 0.19599016 1\n C C1 1 0.97642134 0.27290436 0.33051922 1\n C C2 1 0.66013320 0.27274316 0.96275730 1\n C C3 1 0.42579717 0.27328329 0.43344933 1\n C C4 1 -0.26085227 0.27584189 0.80139247 1\n C C5 1 0.28831679 0.27504559 0.70495712 1\n C C6 1 0.54040467 0.91256156 0.56695681 1\n C C7 1 0.11283622 0.27124082 0.05918656 1\n C C8 1 0.17955004 0.63496606 0.56690475 1\n C C9 1 0.86391103 0.63270968 0.19596759 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44316000\n_cell_length_b 4.86196000\n_cell_length_c 6.25006000\n_cell_angle_alpha 98.06737000\n_cell_angle_beta 101.25400000\n_cell_angle_gamma 120.17855000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.40454355\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75551433 0.87164299 0.96236204 1\n C C1 1 0.79984932 0.59373549 0.60959900 1\n C C2 1 0.49162734 0.06246735 0.05310750 1\n C C3 1 0.46886358 0.71088561 0.71370289 1\n C C4 1 0.43938490 0.33164891 0.40953684 1\n C C5 1 -0.22771421 0.21755877 0.30364886 1\n C C6 1 0.45021292 0.54482632 1.00498447 1\n C C7 1 0.80258922 0.39201946 0.01545330 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42988000\n_cell_length_b 2.96715000\n_cell_length_c 6.41690000\n_cell_angle_alpha 82.02226000\n_cell_angle_beta 79.10849000\n_cell_angle_gamma 74.64170000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.61606563\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05225580 1.10162474 0.58227487 1\n C C1 1 0.61441057 0.10130168 0.24921177 1\n C C2 1 0.16990380 0.10049238 0.13839569 1\n C C3 1 0.50324486 0.10069657 0.47164176 1\n C C4 1 0.83621692 1.10106747 0.80463518 1\n C C5 1 0.28062265 1.10129337 0.91600744 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38066000\n_cell_length_b 2.46024000\n_cell_length_c 5.31125000\n_cell_angle_alpha 90.06297000\n_cell_angle_beta 84.25326000\n_cell_angle_gamma 69.02897000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.00908067\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41718931 0.59171081 1.00390911 1\n C C1 1 0.48159788 0.55558403 0.72796569 1\n C C2 1 0.76576047 0.41841196 0.19903412 1\n C C3 1 0.50780759 0.04273161 0.60144718 1\n C C4 1 0.57120309 0.01452866 0.32539066 1\n C C5 1 0.22296595 1.18830893 0.13061384 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49624000\n_cell_length_b 4.35705000\n_cell_length_c 4.35472000\n_cell_angle_alpha 59.99563000\n_cell_angle_beta 90.00017000\n_cell_angle_gamma 89.99881000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.01574681\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.17369104 0.32579305 0.00520186 1\n C C1 1 0.32629648 0.87735018 0.55677288 1\n C C2 1 0.82630688 0.98086452 0.35012599 1\n C C3 1 1.32631000 0.53239413 0.90194253 1\n C C4 1 0.82690976 -0.01892718 1.00482100 1\n C C5 1 0.32690012 -0.12249790 0.90176493 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05820000\n_cell_length_b 2.43053000\n_cell_length_c 6.83235000\n_cell_angle_alpha 58.43372000\n_cell_angle_beta 93.94383000\n_cell_angle_gamma 88.26921000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.03714317\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40570082 0.88719674 -0.02947810 1\n C C1 1 0.51460679 0.22054522 0.08220756 1\n C C2 1 0.84820049 0.22058218 0.41551439 1\n C C3 1 -0.26070548 0.88723371 0.30382873 1\n C C4 1 1.07257651 0.88724596 0.63716513 1\n C C5 1 0.18132481 0.22053297 0.74887116 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47920000\n_cell_length_b 3.68545000\n_cell_length_c 4.82145000\n_cell_angle_alpha 68.75105000\n_cell_angle_beta 75.18744000\n_cell_angle_gamma 109.69369000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.89072162\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15416725 -0.02744423 0.52919841 1\n C C1 1 1.13039219 0.62703875 0.23097065 1\n C C2 1 0.17075558 0.21207763 0.73596087 1\n C C3 1 0.83912507 0.91437039 0.10054456 1\n C C4 1 0.85522011 1.15371397 0.30768105 1\n C C5 1 -0.12070090 0.49943470 0.60553976 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47777000\n_cell_length_b 2.47860000\n_cell_length_c 6.31257000\n_cell_angle_alpha 90.00903000\n_cell_angle_beta 101.32576000\n_cell_angle_gamma 120.03108000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68793120\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50421026 0.30727247 0.94911593 1\n C C1 1 0.78394951 0.45002364 0.36669001 1\n C C2 1 0.89265520 0.00232177 1.03235699 1\n C C3 1 0.06075686 0.08849111 0.28305416 1\n C C4 1 0.95204614 0.53173160 0.61770974 1\n C C5 1 1.34095523 0.22545071 0.70145069 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46143000\n_cell_length_b 3.63320000\n_cell_length_c 4.48682000\n_cell_angle_alpha 73.58376000\n_cell_angle_beta 95.31244000\n_cell_angle_gamma 63.42639000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.28267322\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79020698 0.87116356 0.22513988 1\n C C1 1 0.22097155 0.73002233 0.78046392 1\n C C2 1 0.75277188 0.11841032 0.45830774 1\n C C3 1 0.18532881 0.97578845 0.01459397 1\n C C4 1 0.06013127 0.39149607 0.45836068 1\n C C5 1 0.91356741 0.45663146 0.78049022 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43170000\n_cell_length_b 6.28671000\n_cell_length_c 6.84737000\n_cell_angle_alpha 121.66989000\n_cell_angle_beta 116.06298000\n_cell_angle_gamma 79.36395000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 79.88535699\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87040565 0.55167227 0.85025110 1\n C C1 1 1.13637127 0.89213187 0.83647931 1\n C C2 1 0.41325472 0.15223870 0.69295766 1\n C C3 1 0.20312314 0.67801242 0.43743538 1\n C C4 1 0.29863149 1.11916993 0.09129181 1\n C C5 1 0.36726109 0.33329978 0.09171811 1\n C C6 1 1.01868620 0.30587858 0.83741067 1\n C C7 1 0.15553413 0.12075939 0.43720499 1\n C C8 1 0.60819836 0.57142606 0.32480518 1\n C C9 1 0.30831234 0.65902338 0.84941623 1\n C C10 1 0.52657882 0.11470516 0.32465510 1\n C C11 1 0.45426319 0.90211885 0.69289336 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45255000\n_cell_length_b 5.48737000\n_cell_length_c 4.86410000\n_cell_angle_alpha 89.99172000\n_cell_angle_beta 89.97382000\n_cell_angle_gamma 63.49565000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.58134056\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33189761 0.13366274 0.17976101 1\n C C1 1 0.33156487 0.13372449 0.52198872 1\n C C2 1 0.46724986 0.49738981 0.35084115 1\n C C3 1 0.48947481 0.47480022 0.85081275 1\n C C4 1 0.65820334 0.30566634 0.58937188 1\n C C5 1 0.78850328 0.67443912 0.35107127 1\n C C6 1 0.65847207 0.30563268 0.11188130 1\n C C7 1 0.62313664 0.84277946 0.10453775 1\n C C8 1 0.78550060 0.67804893 0.85104233 1\n C C9 1 0.62278982 0.84287702 0.59753504 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52717000\n_cell_length_b 4.29763000\n_cell_length_c 5.07608000\n_cell_angle_alpha 59.62463000\n_cell_angle_beta 83.31426000\n_cell_angle_gamma 94.96391000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.55428507\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69892907 0.89672997 0.08209293 1\n C C1 1 0.13235630 0.39618602 0.07151901 1\n C C2 1 0.75698530 0.76741010 0.40382663 1\n C C3 1 0.95171373 1.09390774 0.43021581 1\n C C4 1 0.23239878 -0.19933666 0.96266127 1\n C C5 1 0.61021558 0.42886244 0.63010986 1\n C C6 1 0.41480340 0.10237687 0.60372129 1\n C C7 1 0.66605644 0.29994313 0.95199720 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47535000\n_cell_length_b 4.79350000\n_cell_length_c 4.18458000\n_cell_angle_alpha 64.09188000\n_cell_angle_beta 89.99923000\n_cell_angle_gamma 90.00239000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.66222881\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78503566 0.35273847 0.38898945 1\n C C1 1 0.28490822 0.86403148 0.63342716 1\n C C2 1 0.28474939 0.86333522 0.00358784 1\n C C3 1 0.78488263 0.70931164 0.58076357 1\n C C4 1 0.28503169 0.19701530 -0.03225692 1\n C C5 1 -0.21519463 0.70906155 0.21134881 1\n C C6 1 0.28503602 0.19759094 0.33648192 1\n C C7 1 0.78501193 0.35211719 0.76012868 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48051000\n_cell_length_b 5.80582000\n_cell_length_c 5.75079000\n_cell_angle_alpha 78.82999000\n_cell_angle_beta 126.87129000\n_cell_angle_gamma 127.79948000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.61790368\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.14656568 0.29663118 0.84730130 1\n C C1 1 0.49720448 0.18334498 0.63753389 1\n C C2 1 0.41872469 0.28237733 0.13761617 1\n C C3 1 0.52482238 0.85091196 0.14114894 1\n C C4 1 0.06799277 0.39560822 0.34733377 1\n C C5 1 0.12595489 0.16689015 0.28771809 1\n C C6 1 1.05543011 0.87810906 0.63274760 1\n C C7 1 1.43928573 0.41206233 0.69717977 1\n C C8 1 0.04049656 0.72802276 0.84370076 1\n C C9 1 0.50974271 0.70077722 0.35206411 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.52548000\n_cell_length_b 3.37120000\n_cell_length_c 6.58169000\n_cell_angle_alpha 83.08158000\n_cell_angle_beta 99.83197000\n_cell_angle_gamma 133.76679000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.44840936\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40147249 0.46881156 0.49835590 1\n C C1 1 0.73224811 0.11214156 0.50035394 1\n C C2 1 -0.16783244 0.79203977 0.23714615 1\n C C3 1 0.03351962 0.29232320 0.36181910 1\n C C4 1 0.70796846 0.75133246 0.84741590 1\n C C5 1 0.94699801 0.28902392 0.72078659 1\n C C6 1 0.17345451 0.79510420 0.23465971 1\n C C7 1 1.06167042 0.75214545 0.83366069 1\n C C8 1 0.53736200 0.29122759 0.37634161 1\n C C9 1 0.30748090 0.31637090 0.71859791 1\n C C10 1 1.30185384 0.79325567 0.03792503 1\n C C11 1 0.60024849 0.77851633 0.04328478 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38321000\n_cell_length_b 4.81858000\n_cell_length_c 10.18569000\n_cell_angle_alpha 102.45758000\n_cell_angle_beta 77.78627000\n_cell_angle_gamma 121.57222000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 137.16651373\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90350985 0.54967545 0.01887109 1\n C C1 1 0.75103551 0.54381655 0.55826869 1\n C C2 1 0.63225791 0.34330703 -0.09568712 1\n C C3 1 0.47900944 0.72027098 0.23465087 1\n C C4 1 0.90870876 0.34518508 0.78841822 1\n C C5 1 0.09042028 0.36298764 0.21414968 1\n C C6 1 0.73065718 0.26923391 0.34313186 1\n C C7 1 0.78081313 0.97990673 0.00597040 1\n C C8 1 -0.22004769 0.78326988 0.68250871 1\n C C9 1 0.26887370 1.11404181 0.16888806 1\n C C10 1 0.30147954 0.97296016 0.27996057 1\n C C11 1 0.77134316 0.09541786 0.43416133 1\n C C12 1 0.78947961 0.27725763 0.09739288 1\n C C13 1 0.72201019 0.55459802 0.42853822 1\n C C14 1 0.73930929 0.22955233 0.56148120 1\n C C15 1 0.33387997 0.65269347 0.78342063 1\n C C16 1 0.35044738 0.78809196 -0.06441070 1\n C C17 1 0.19420485 0.89011735 0.75356694 1\n C C18 1 0.69195297 0.08418281 0.68025565 1\n C C19 1 0.20347993 0.02833143 0.90620302 1\n C C20 1 -0.20152078 -0.18569270 0.35651515 1\n C C21 1 0.82821203 0.81657022 0.10716215 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37895000\n_cell_length_b 4.24306000\n_cell_length_c 5.42742000\n_cell_angle_alpha 63.56774000\n_cell_angle_beta 84.16175000\n_cell_angle_gamma 76.36198000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.71380028\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94072785 0.10043640 0.62788197 1\n C C1 1 0.75125872 0.87142433 0.52343742 1\n C C2 1 -0.15821969 0.71271011 0.08866071 1\n C C3 1 0.53623175 0.28696343 0.70618616 1\n C C4 1 0.18885406 0.07676541 0.16911090 1\n C C5 1 0.18575016 0.81515373 0.86972689 1\n C C6 1 0.55905847 0.57823788 0.78400668 1\n C C7 1 0.43760049 0.98505803 -0.03760036 1\n C C8 1 0.77980860 0.37623883 0.08536453 1\n C C9 1 0.46769741 0.18279808 0.30662050 1\n C C10 1 0.01408860 0.73413960 0.33513872 1\n C C11 1 0.24120468 0.35882557 0.47982789 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42936000\n_cell_length_b 3.19902000\n_cell_length_c 6.46051000\n_cell_angle_alpha 74.97885000\n_cell_angle_beta 110.88729000\n_cell_angle_gamma 109.79060000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.58729448\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20295056 0.44858949 0.64371446 1\n C C1 1 0.53328739 -0.22313927 0.30938637 1\n C C2 1 0.41994831 -0.00348389 0.08680966 1\n C C3 1 0.86738122 1.11038127 0.97656234 1\n C C4 1 0.08791305 0.66542733 0.42071130 1\n C C5 1 0.75701567 0.33599367 0.75492157 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44291000\n_cell_length_b 4.19248000\n_cell_length_c 6.50024000\n_cell_angle_alpha 70.92879000\n_cell_angle_beta 79.26186000\n_cell_angle_gamma 89.94361000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.68989609\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12689244 0.93415229 0.01194117 1\n C C1 1 0.37929094 0.09715029 1.00018446 1\n C C2 1 1.18090497 0.48932378 0.39947598 1\n C C3 1 0.85641378 0.56997311 0.04830814 1\n C C4 1 0.73353791 0.48298799 0.29357607 1\n C C5 1 0.07689297 0.53193957 0.60817322 1\n C C6 1 0.52422601 0.54137616 0.71345541 1\n C C7 1 0.40051665 0.46311971 0.95792385 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48633000\n_cell_length_b 4.30240000\n_cell_length_c 3.51824000\n_cell_angle_alpha 114.14770000\n_cell_angle_beta 90.02107000\n_cell_angle_gamma 73.29709000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59586788\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74275725 0.51417953 0.69226240 1\n C C1 1 0.24262549 0.51430377 0.44228620 1\n C C2 1 0.07610794 0.84751923 0.35896444 1\n C C3 1 0.57597617 0.84764348 0.10898825 1\n C C4 1 0.90929492 0.18097365 0.77564120 1\n C C5 1 0.40943851 0.18084936 0.02560944 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43216000\n_cell_length_b 4.49635000\n_cell_length_c 6.04154000\n_cell_angle_alpha 68.78484000\n_cell_angle_beta 107.31482000\n_cell_angle_gamma 97.91106000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.76731626\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36188612 0.45641172 0.67799116 1\n C C1 1 0.19529389 0.29026382 0.51148079 1\n C C2 1 0.86182713 -0.04329155 0.17781335 1\n C C3 1 -0.05500900 0.54079598 0.76084865 1\n C C4 1 0.44485405 0.04140257 0.26046921 1\n C C5 1 0.69540477 0.78987942 1.01172801 1\n C C6 1 0.61132402 0.20773055 0.42689514 1\n C C7 1 1.11147993 0.70707538 0.92730529 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48440000\n_cell_length_b 3.82161000\n_cell_length_c 5.22511000\n_cell_angle_alpha 81.23385000\n_cell_angle_beta 90.02199000\n_cell_angle_gamma 108.94238000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31064931\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90453666 0.28946665 0.86373637 1\n C C1 1 0.35892991 0.19591822 0.02835041 1\n C C2 1 -0.13267725 0.21579210 0.58402425 1\n C C3 1 0.53297573 0.54567642 0.19168881 1\n C C4 1 0.65215646 0.78712660 0.64245117 1\n C C5 1 0.10639864 0.69315666 0.80743827 1\n C C6 1 0.47716369 0.43751218 0.47852915 1\n C C7 1 0.14332336 0.76800858 0.08682188 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43228000\n_cell_length_b 3.11623000\n_cell_length_c 7.61895000\n_cell_angle_alpha 93.33169000\n_cell_angle_beta 89.80607000\n_cell_angle_gamma 89.49519000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.64788476\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04740281 1.15561846 0.36979607 1\n C C1 1 0.54752421 0.39090581 0.11721895 1\n C C2 1 0.04744678 0.64424437 0.86781138 1\n C C3 1 0.54735386 0.56157449 -0.04819348 1\n C C4 1 0.54737088 -0.09470237 0.61985462 1\n C C5 1 1.04729656 -0.17774372 0.70383586 1\n C C6 1 0.54730497 1.07749691 0.45476512 1\n C C7 1 0.04740854 0.31286835 0.20215089 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45667000\n_cell_length_b 3.66430000\n_cell_length_c 6.45524000\n_cell_angle_alpha 82.10502000\n_cell_angle_beta 100.94413000\n_cell_angle_gamma 70.47274000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.48999506\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77244510 0.96389928 0.11248103 1\n C C1 1 0.18865857 -0.01411484 0.96668678 1\n C C2 1 0.76185910 0.46791360 0.59315921 1\n C C3 1 0.20022358 0.48482591 0.48637287 1\n C C4 1 0.36429028 0.58374708 -0.08222474 1\n C C5 1 0.90160558 0.42061864 0.83006988 1\n C C6 1 0.05636032 0.53016992 0.24953768 1\n C C7 1 0.59575947 0.36502250 0.16292187 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48791000\n_cell_length_b 5.31178000\n_cell_length_c 4.76119000\n_cell_angle_alpha 63.11165000\n_cell_angle_beta 58.48438000\n_cell_angle_gamma 62.08087000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.56257594\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41928103 0.79029823 0.26024920 1\n C C1 1 -0.15598523 0.63108351 -0.00493063 1\n C C2 1 0.34459916 0.09796587 0.02710105 1\n C C3 1 0.43021979 0.74567643 0.79414398 1\n C C4 1 -0.08155568 0.32298872 0.22844350 1\n C C5 1 0.07416673 0.09301016 0.80221394 1\n C C6 1 0.83244950 0.67608623 0.46130341 1\n C C7 1 1.18848620 0.32789887 0.45352215 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47369000\n_cell_length_b 4.80375000\n_cell_length_c 4.80388000\n_cell_angle_alpha 127.08158000\n_cell_angle_beta 75.08547000\n_cell_angle_gamma 104.91775000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61770076\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84468152 0.22087181 0.74124799 1\n C C1 1 0.34468152 0.72087181 0.24124799 1\n C C2 1 0.09400138 0.80438742 0.82477165 1\n C C3 1 1.15620064 0.53392139 0.42855745 1\n C C4 1 0.65620064 1.03392139 0.92855745 1\n C C5 1 0.90681236 0.61711248 1.01173286 1\n C C6 1 0.59400138 0.30438742 0.32477165 1\n C C7 1 0.40681236 0.11711248 0.51173286 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43327000\n_cell_length_b 6.51822000\n_cell_length_c 6.78657000\n_cell_angle_alpha 106.22255000\n_cell_angle_beta 95.73861000\n_cell_angle_gamma 83.97849000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 102.50099600\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62237696 0.74285958 0.56739743 1\n C C1 1 0.63897865 0.34519479 0.65362064 1\n C C2 1 0.37361104 0.34748655 0.09918537 1\n C C3 1 0.11522437 0.29213439 0.55184553 1\n C C4 1 0.05424160 0.95038366 0.38228089 1\n C C5 1 0.09235262 0.86302645 -0.01417514 1\n C C6 1 0.50125938 0.17500507 0.20844793 1\n C C7 1 0.04064705 0.16152359 0.33490365 1\n C C8 1 1.14590764 0.70006865 0.64911571 1\n C C9 1 0.56900422 0.96523744 0.04425132 1\n C C10 1 0.16439550 0.64400047 0.84747821 1\n C C11 1 -0.29456745 0.51153699 -0.14174843 1\n C C12 1 0.57863121 0.86896335 0.42927675 1\n C C13 1 0.83214121 0.40992031 0.03235344 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.87760000\n_cell_length_b 4.00123000\n_cell_length_c 4.79893000\n_cell_angle_alpha 98.31953000\n_cell_angle_beta 98.63200000\n_cell_angle_gamma 89.05095000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.83715174\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25619929 0.07410250 0.81514219 1\n C C1 1 0.63326966 0.69444044 0.66181387 1\n C C2 1 1.00418419 0.32880470 0.31532599 1\n C C3 1 0.63147567 0.69264295 0.96846058 1\n C C4 1 0.39105636 0.93560045 0.06064713 1\n C C5 1 0.39062940 0.93562335 0.56894072 1\n C C6 1 0.87779186 0.45497298 0.06127446 1\n C C7 1 0.87716175 0.45540745 0.56957142 1\n C C8 1 0.01681108 0.32052937 -0.18412975 1\n C C9 1 0.26784184 0.06503900 0.31557609 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38654000\n_cell_length_b 2.46610000\n_cell_length_c 5.26071000\n_cell_angle_alpha 89.93216000\n_cell_angle_beta 91.54008000\n_cell_angle_gamma 68.72164000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.92232762\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65040353 0.27335370 0.39890815 1\n C C1 1 0.46816982 0.86410792 0.27414577 1\n C C2 1 1.10008705 1.04686810 0.47258550 1\n C C3 1 0.28352539 0.45500250 0.59837827 1\n C C4 1 0.35838393 0.41584494 0.87302781 1\n C C5 1 0.39911437 0.89516404 0.99876242 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48071000\n_cell_length_b 3.68695000\n_cell_length_c 4.21991000\n_cell_angle_alpha 74.99148000\n_cell_angle_beta 90.05148000\n_cell_angle_gamma 70.35768000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.94593830\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36405225 0.63987767 0.12870512 1\n C C1 1 0.88490090 0.59904148 0.35060351 1\n C C2 1 0.68857648 0.99615816 0.42671269 1\n C C3 1 0.56068666 0.24338986 0.05231716 1\n C C4 1 0.13932715 0.08610887 0.92205362 1\n C C5 1 0.11039966 0.15265227 0.55729950 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47609000\n_cell_length_b 4.18428000\n_cell_length_c 4.79073000\n_cell_angle_alpha 64.16688000\n_cell_angle_beta 90.01217000\n_cell_angle_gamma 89.97563000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.67490461\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08749915 0.23207208 0.87591290 1\n C C1 1 0.58657966 0.47548838 0.38734908 1\n C C2 1 1.08890930 0.60234025 0.87575957 1\n C C3 1 0.58708484 0.84555694 0.38791014 1\n C C4 1 0.58759043 1.02510861 1.03063093 1\n C C5 1 1.08661619 0.26853747 0.54210051 1\n C C6 1 0.58836273 0.65510519 0.03010649 1\n C C7 1 0.08760299 0.89841319 0.54246218 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45677000\n_cell_length_b 3.66143000\n_cell_length_c 8.25163000\n_cell_angle_alpha 131.11998000\n_cell_angle_beta 72.67208000\n_cell_angle_gamma 109.51613000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.38415148\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01132483 0.45273817 0.86211171 1\n C C1 1 0.37495389 0.84549894 0.19454218 1\n C C2 1 0.63534271 0.52850346 0.77498954 1\n C C3 1 0.27839217 0.12665696 0.43148231 1\n C C4 1 0.22396652 0.27257532 0.05776959 1\n C C5 1 0.78515988 0.10158237 0.91192852 1\n C C6 1 0.99968801 0.92133665 1.10741577 1\n C C7 1 0.73104830 0.24754293 0.53807058 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45125000\n_cell_length_b 6.18894000\n_cell_length_c 7.96870000\n_cell_angle_alpha 113.69929000\n_cell_angle_beta 98.87012000\n_cell_angle_gamma 78.61005000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 108.13764599\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77674583 0.69425895 0.68428646 1\n C C1 1 0.45037127 0.37234604 0.71451125 1\n C C2 1 0.10678062 -0.17342531 0.48055087 1\n C C3 1 0.22348919 1.11638741 1.01422063 1\n C C4 1 0.56635822 0.18867440 0.76886968 1\n C C5 1 0.88698457 0.48089751 0.69687984 1\n C C6 1 0.20681669 0.81538714 0.66733541 1\n C C7 1 0.48712641 0.77143725 0.19427839 1\n C C8 1 0.59150030 0.50078931 0.12887363 1\n C C9 1 0.56454929 0.82445661 0.39722419 1\n C C10 1 0.13731546 0.08311308 0.80468561 1\n C C11 1 0.79589582 1.01691661 1.05947329 1\n C C12 1 0.91503269 0.86117333 0.14025693 1\n C C13 1 1.13646566 0.38445037 0.10495923 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.44400000\n_cell_length_b 3.79370000\n_cell_length_c 4.50395000\n_cell_angle_alpha 92.08734000\n_cell_angle_beta 102.24276000\n_cell_angle_gamma 105.41023000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.19059000\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12414131 0.99871029 0.17426081 1\n C C1 1 0.62098190 -0.13319447 0.81957762 1\n C C2 1 0.48161873 0.44632551 0.82923507 1\n C C3 1 0.11188388 0.66941475 0.36289411 1\n C C4 1 0.11720536 0.34260465 0.81909541 1\n C C5 1 0.48702958 0.12069850 0.28560155 1\n C C6 1 0.00740639 0.34149808 0.13446152 1\n C C7 1 0.59240003 0.44794113 0.51523767 1\n C C8 1 -0.02199442 -0.07674062 0.82896309 1\n C C9 1 0.47520610 0.79091529 0.47530857 1\n C C10 1 0.64305109 0.20100778 1.02662864 1\n C C11 1 0.95622145 0.58857341 0.62204485 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39800000\n_cell_length_b 3.25967000\n_cell_length_c 4.68100000\n_cell_angle_alpha 69.26295000\n_cell_angle_beta 89.98375000\n_cell_angle_gamma 89.96515000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.48943856\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88592400 0.82393299 0.19553848 1\n C C1 1 0.88620417 0.47220249 0.54070861 1\n C C2 1 0.17414405 0.63059062 0.02855994 1\n C C3 1 0.21399176 0.16499273 0.20760428 1\n C C4 1 0.50228488 -0.02786560 0.04063855 1\n C C5 1 0.17445021 0.66493114 0.70766070 1\n C C6 1 0.21439100 0.13053039 0.52851248 1\n C C7 1 0.50249473 0.32372835 0.69549498 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48831000\n_cell_length_b 4.30569000\n_cell_length_c 3.51681000\n_cell_angle_alpha 65.90984000\n_cell_angle_beta 89.98537000\n_cell_angle_gamma 73.20389000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62969819\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69280171 0.91967465 0.18933430 1\n C C1 1 0.35946838 0.58634131 0.85600097 1\n C C2 1 0.85944869 0.58637539 0.60574447 1\n C C3 1 0.02613505 0.25300798 0.52266763 1\n C C4 1 0.19278202 -0.08029128 0.93907780 1\n C C5 1 0.52611535 0.25304205 0.27241113 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45335000\n_cell_length_b 7.60557000\n_cell_length_c 8.13631000\n_cell_angle_alpha 70.95759000\n_cell_angle_beta 100.81756000\n_cell_angle_gamma 98.00266000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 140.46036630\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82598593 0.93703564 0.29797475 1\n C C1 1 0.74503507 0.48275927 0.44096783 1\n C C2 1 0.56693573 0.18912403 0.65327394 1\n C C3 1 0.48107673 0.67708975 0.90533933 1\n C C4 1 0.58172671 0.28388143 0.46081856 1\n C C5 1 0.64949081 0.58724747 0.24193690 1\n C C6 1 0.77210749 0.36921567 -0.09042154 1\n C C7 1 0.56765230 0.35967804 0.72087595 1\n C C8 1 0.46324054 0.24223082 0.28921349 1\n C C9 1 1.05375625 0.06206576 0.71031719 1\n C C10 1 0.48810579 0.43281675 0.16083603 1\n C C11 1 0.37549217 0.46640818 0.96713515 1\n C C12 1 0.89306303 0.14909054 0.24159466 1\n C C13 1 0.78030195 0.17238726 0.04034816 1\n C C14 1 0.37285581 0.70900397 0.55343018 1\n C C15 1 0.34492122 0.51395289 0.54872896 1\n C C16 1 0.44944760 0.77630125 0.71468033 1\n C C17 1 0.11471163 0.96255682 0.90015542 1\n C C18 1 0.06002691 0.75485523 0.97363532 1\n C C19 1 0.15890293 0.70839153 0.17431542 1\n C C20 1 0.96009545 0.89390885 0.64910259 1\n C C21 1 0.87752867 0.82652843 0.48458441 1\n C C22 1 0.22221232 0.05714529 0.03133555 1\n C C23 1 0.25505448 0.89738644 0.20688651 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05319000\n_cell_length_b 3.62120000\n_cell_length_c 8.94521000\n_cell_angle_alpha 90.13152000\n_cell_angle_beta 110.40004000\n_cell_angle_gamma 101.12972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 90.69320071\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82784595 0.46697328 0.69950936 1\n C C1 1 -0.16721739 0.96812960 0.85402080 1\n C C2 1 0.82882058 0.77556577 0.60379021 1\n C C3 1 0.83194231 0.46812924 0.35350464 1\n C C4 1 0.82404891 0.27453201 0.10271515 1\n C C5 1 -0.17054920 0.27756039 0.94934189 1\n C C6 1 0.82668222 0.08545376 0.69953021 1\n C C7 1 -0.16837657 0.58679528 0.85414126 1\n C C8 1 0.83271854 0.77823268 0.44996709 1\n C C9 1 -0.16900470 1.08656807 0.35365163 1\n C C10 1 0.82390161 0.58497060 0.19859318 1\n C C11 1 -0.17510516 -0.03370847 0.19855938 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36728000\n_cell_length_b 3.37679000\n_cell_length_c 6.36367000\n_cell_angle_alpha 117.03973000\n_cell_angle_beta 82.88469000\n_cell_angle_gamma 112.38111000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.48787311\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12527564 0.47301790 0.14410941 1\n C C1 1 0.18809287 0.93605869 0.29363512 1\n C C2 1 0.19928218 0.39107278 0.75629051 1\n C C3 1 0.69917581 0.66732232 0.52444136 1\n C C4 1 0.06221163 0.03214283 0.52482485 1\n C C5 1 0.57364216 0.76351110 0.75609197 1\n C C6 1 0.56231454 0.30858535 0.29342782 1\n C C7 1 0.88687543 0.22660062 0.90528266 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48064000\n_cell_length_b 4.20335000\n_cell_length_c 3.68410000\n_cell_angle_alpha 104.38745000\n_cell_angle_beta 109.62578000\n_cell_angle_gamma 90.05059000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.89765139\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05099117 0.42910740 0.19782490 1\n C C1 1 1.08922166 0.79458638 0.27076102 1\n C C2 1 0.30829594 1.00123962 0.71553749 1\n C C3 1 0.51134227 0.92621337 0.11456418 1\n C C4 1 0.62959065 0.29835325 0.35523881 1\n C C5 1 0.82825880 0.22391569 0.75361069 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.59307000\n_cell_length_b 2.49144000\n_cell_length_c 4.35536000\n_cell_angle_alpha 73.38837000\n_cell_angle_beta 84.30527000\n_cell_angle_gamma 69.67009000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.03427031\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02333404 0.30982300 0.14335384 1\n C C1 1 0.39327862 1.02337621 0.34908127 1\n C C2 1 0.65235728 0.20528311 0.72505008 1\n C C3 1 0.65234720 0.39266173 0.34922986 1\n C C4 1 0.02324853 0.91645443 -0.06896078 1\n C C5 1 0.39342933 0.83484203 0.72501933 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48398000\n_cell_length_b 3.82492000\n_cell_length_c 5.98097000\n_cell_angle_alpha 59.70159000\n_cell_angle_beta 77.96025000\n_cell_angle_gamma 71.02357000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.32798657\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.31193424 0.05797313 0.67833454 1\n C C1 1 0.34940945 0.70566465 0.95704722 1\n C C2 1 -0.19927280 0.63578844 0.12206909 1\n C C3 1 -0.07593287 0.94156020 0.57199163 1\n C C4 1 1.09973545 0.42953675 0.73448155 1\n C C5 1 -0.02527004 1.12356704 0.28499968 1\n C C6 1 0.55108179 0.35986728 0.89942490 1\n C C7 1 0.58676617 0.00735021 0.17859788 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47482000\n_cell_length_b 3.72081000\n_cell_length_c 4.24326000\n_cell_angle_alpha 64.13669000\n_cell_angle_beta 90.00872000\n_cell_angle_gamma 90.02703000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.15966263\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98380791 -0.02794757 0.45707563 1\n C C1 1 -0.01603496 0.40696050 0.17928298 1\n C C2 1 0.98417756 0.56373220 0.45747625 1\n C C3 1 0.48404338 0.51831817 -0.04194818 1\n C C4 1 0.48402930 0.36081562 0.68015518 1\n C C5 1 0.48380303 0.95273049 0.68016423 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42485000\n_cell_length_b 4.21800000\n_cell_length_c 4.21844000\n_cell_angle_alpha 90.41676000\n_cell_angle_beta 90.02013000\n_cell_angle_gamma 89.91463000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.14508550\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05680787 0.27573287 0.45699302 1\n C C1 1 0.05732441 0.86666905 1.04964994 1\n C C2 1 1.05685853 0.92785262 0.39737635 1\n C C3 1 0.55722831 -0.15922223 0.89335615 1\n C C4 1 0.55662062 0.43209092 0.48373339 1\n C C5 1 0.55718556 0.77985197 0.54523325 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31730000\n_cell_length_b 3.32730000\n_cell_length_c 5.95215000\n_cell_angle_alpha 98.63565000\n_cell_angle_beta 81.40046000\n_cell_angle_gamma 101.07791000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.24770586\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29408772 0.38159923 0.91488323 1\n C C1 1 0.16950453 0.77949957 1.05147520 1\n C C2 1 0.52007269 0.46881039 0.68892711 1\n C C3 1 0.53288357 0.14280055 0.05151275 1\n C C4 1 0.84365362 0.79240795 0.68891193 1\n C C5 1 1.07449583 0.90847981 0.48324880 1\n C C6 1 0.62978213 0.35828161 0.27754929 1\n C C7 1 -0.04598176 0.68257066 0.27753114 1\n C C8 1 0.40395133 0.23777941 0.48325290 1\n C C9 1 -0.06901784 0.01857353 0.91480296 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50125000\n_cell_length_b 4.27325000\n_cell_length_c 8.20186000\n_cell_angle_alpha 69.92040000\n_cell_angle_beta 98.74802000\n_cell_angle_gamma 89.48980000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.20227669\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45231048 0.10686492 -0.03875758 1\n C C1 1 0.35025965 0.26748951 0.31437391 1\n C C2 1 0.82048247 0.44860290 0.69424339 1\n C C3 1 0.39223548 0.18321984 0.50844641 1\n C C4 1 0.55815728 0.38877912 1.03073309 1\n C C5 1 0.89236999 0.74328294 0.75605479 1\n C C6 1 0.00688710 0.60438913 0.96528526 1\n C C7 1 0.61819932 0.46873553 0.50932101 1\n C C8 1 -0.02769922 0.89689195 1.03097669 1\n C C9 1 0.36311422 0.95580470 0.69189005 1\n C C10 1 0.48613789 0.63572128 0.31373352 1\n C C11 1 0.94508205 0.82696846 0.22960283 1\n C C12 1 0.80634675 0.18769885 0.22989249 1\n C C13 1 0.36140705 0.23633897 0.76690953 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48735000\n_cell_length_b 3.51731000\n_cell_length_c 4.30414000\n_cell_angle_alpha 114.11184000\n_cell_angle_beta 73.22286000\n_cell_angle_gamma 89.99624000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60620614\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06435939 0.09768137 0.60156731 1\n C C1 1 0.23093948 0.18151863 0.26850442 1\n C C2 1 0.73102605 0.43101470 0.26823398 1\n C C3 1 0.89760615 0.51485197 0.93517109 1\n C C4 1 0.56427281 0.84818530 0.60183775 1\n C C5 1 0.39769272 0.76434803 0.93490065 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48397000\n_cell_length_b 5.22318000\n_cell_length_c 3.82306000\n_cell_angle_alpha 81.33561000\n_cell_angle_beta 70.98235000\n_cell_angle_gamma 89.88815000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.29974406\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95397159 0.14510747 0.98694126 1\n C C1 1 0.37962858 0.76014003 0.13459872 1\n C C2 1 -0.00931166 0.86539428 0.91248003 1\n C C3 1 0.49947622 0.30981873 0.89375444 1\n C C4 1 0.71262815 0.36862983 0.46637051 1\n C C5 1 0.32364460 0.47344024 0.24370118 1\n C C6 1 0.20663003 0.92424466 0.48392703 1\n C C7 1 0.75283538 0.08923285 0.39013033 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68810000\n_cell_length_b 2.48102000\n_cell_length_c 4.21566000\n_cell_angle_alpha 90.01479000\n_cell_angle_beta 75.19720000\n_cell_angle_gamma 70.36160000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96732182\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25656560 0.26172180 0.45793582 1\n C C1 1 -0.14081490 0.45934047 0.38236425 1\n C C2 1 0.21753473 0.78180592 0.68035747 1\n C C3 1 0.77198131 1.00324783 0.88663513 1\n C C4 1 0.70189884 1.03796802 0.25166618 1\n C C5 1 0.61582762 0.58103765 0.75563816 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.99839000\n_cell_length_b 3.38996000\n_cell_length_c 5.47688000\n_cell_angle_alpha 78.60038000\n_cell_angle_beta 78.38118000\n_cell_angle_gamma 71.56703000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.26322917\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09893492 0.58106469 0.85389162 1\n C C1 1 0.95679978 0.79894054 0.30448998 1\n C C2 1 0.11224820 0.98175284 0.66913557 1\n C C3 1 0.72889896 0.23490753 0.21802192 1\n C C4 1 0.19474745 0.60580115 0.09366865 1\n C C5 1 0.26985808 0.86608860 0.41950942 1\n C C6 1 0.67252024 0.54636737 0.42258236 1\n C C7 1 0.39507103 0.15716801 0.19958256 1\n C C8 1 0.44623657 0.86956105 0.00073184 1\n C C9 1 0.72018670 0.29329740 0.68481252 1\n C C10 1 0.35782236 0.17379993 0.77394249 1\n C C11 1 0.75779741 0.50213091 0.93159728 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49639000\n_cell_length_b 4.65582000\n_cell_length_c 9.39474000\n_cell_angle_alpha 101.44364000\n_cell_angle_beta 108.22994000\n_cell_angle_gamma 61.07292000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.62684460\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21115795 0.54039412 0.51916262 1\n C C1 1 1.11959608 0.18128815 0.88357479 1\n C C2 1 0.14144057 0.84500287 0.13445872 1\n C C3 1 0.39080500 0.82194887 0.90069124 1\n C C4 1 0.25986330 0.64048696 0.78016206 1\n C C5 1 0.92570233 0.31051257 0.52072998 1\n C C6 1 0.86796962 0.21379836 0.12370378 1\n C C7 1 0.22693809 0.81085024 0.30853954 1\n C C8 1 0.70238614 -0.29612976 0.05351681 1\n C C9 1 0.04441736 0.82308498 0.63906981 1\n C C10 1 0.11593952 0.30340434 0.28722408 1\n C C11 1 0.43455107 0.27748053 0.79309306 1\n C C12 1 0.35242153 1.05862527 0.64254025 1\n C C13 1 1.14026024 0.33377540 1.04361985 1\n C C14 1 0.93452213 0.63854959 0.35530955 1\n C C15 1 -0.13990434 0.15923370 0.35786737 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43078000\n_cell_length_b 7.27940000\n_cell_length_c 6.90203000\n_cell_angle_alpha 120.73811000\n_cell_angle_beta 89.13842000\n_cell_angle_gamma 119.96016000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.08251199\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09771000 0.98119748 -0.01225645 1\n C C1 1 0.25661598 0.76720475 0.48779933 1\n C C2 1 0.25655478 0.43381580 0.48765160 1\n C C3 1 0.76510811 0.75907582 -0.01226573 1\n C C4 1 -0.07596984 0.54500841 0.48762952 1\n C C5 1 1.25641672 0.10038679 0.48747437 1\n C C6 1 0.76511392 0.42572701 -0.01237226 1\n C C7 1 -0.07619184 0.21154291 0.48731998 1\n C C8 1 0.76508743 1.09235075 0.98754574 1\n C C9 1 1.09778088 0.64793060 -0.01212968 1\n C C10 1 1.09764871 0.31453582 0.98768620 1\n C C11 1 0.92396635 0.87832926 0.48754950 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.60927000\n_cell_length_b 4.65368000\n_cell_length_c 5.65587000\n_cell_angle_alpha 126.98012000\n_cell_angle_beta 98.19439000\n_cell_angle_gamma 97.75870000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.11139440\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30311336 0.98544300 0.63600827 1\n C C1 1 0.28642563 0.56372630 0.43356314 1\n C C2 1 0.04942152 0.68972553 0.84004122 1\n C C3 1 0.13774055 0.01743148 0.40202224 1\n C C4 1 0.73982988 0.26736103 0.29441672 1\n C C5 1 0.80566134 0.39738677 0.11554126 1\n C C6 1 0.78576334 0.91229642 0.61638357 1\n C C7 1 0.06766881 0.37974686 0.50384164 1\n C C8 1 0.69731907 0.57583243 0.81402038 1\n C C9 1 0.25292814 0.74794623 0.10648652 1\n C C10 1 0.09889533 0.02033258 0.82809537 1\n C C11 1 0.60283000 0.85333125 0.12597184 1\n C C12 1 0.14062037 0.41280821 0.10813556 1\n C C13 1 0.59795897 0.55256451 0.53197130 1\n C C14 1 0.81442783 0.79675061 0.31541822 1\n C C15 1 0.63351666 0.21622739 0.78823286 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44270000\n_cell_length_b 4.75708000\n_cell_length_c 5.76629000\n_cell_angle_alpha 98.18246000\n_cell_angle_beta 102.43138000\n_cell_angle_gamma 89.89934000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.73896815\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46678500 0.92785640 0.52117178 1\n C C1 1 0.67499539 0.76559051 0.92282288 1\n C C2 1 0.88507805 0.50170595 0.35225831 1\n C C3 1 0.20226785 0.90179108 0.97797364 1\n C C4 1 0.22079029 0.22100279 0.02233714 1\n C C5 1 0.99440538 0.06421382 0.57636362 1\n C C6 1 0.44796014 0.60842691 0.47684610 1\n C C7 1 1.08917376 0.32517693 0.75833899 1\n C C8 1 0.78361846 0.32692834 0.14706440 1\n C C9 1 0.58057619 0.50424896 0.74105284 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48270000\n_cell_length_b 3.84460000\n_cell_length_c 3.74756000\n_cell_angle_alpha 90.02109000\n_cell_angle_beta 90.01400000\n_cell_angle_gamma 89.97184000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.77040899\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09408566 0.62060774 0.29011997 1\n C C1 1 0.59415472 0.32539951 0.78623776 1\n C C2 1 0.59366311 0.91525728 0.78647961 1\n C C3 1 1.09426187 0.32555776 0.02252812 1\n C C4 1 0.09379989 -0.08451232 0.02270255 1\n C C5 1 0.59408865 0.62048593 0.51901128 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45006000\n_cell_length_b 5.03170000\n_cell_length_c 5.92597000\n_cell_angle_alpha 101.58041000\n_cell_angle_beta 102.36861000\n_cell_angle_gamma 89.74253000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.85031617\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77399992 0.46468904 0.85347285 1\n C C1 1 0.67862158 0.88411194 0.66161918 1\n C C2 1 0.20661388 1.01694089 0.71687715 1\n C C3 1 0.87469309 0.68199103 0.06006230 1\n C C4 1 0.40504982 0.81533089 0.12327682 1\n C C5 1 -0.00044218 0.22368487 0.31742185 1\n C C6 1 0.10745312 0.43597767 0.52704254 1\n C C7 1 0.23182066 0.30820770 0.77035624 1\n C C8 1 0.46641075 0.09225911 0.25148759 1\n C C9 1 0.64928767 0.59190156 0.61109528 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32314000\n_cell_length_b 3.32362000\n_cell_length_c 5.48459000\n_cell_angle_alpha 94.38010000\n_cell_angle_beta 127.72368000\n_cell_angle_gamma 83.42685000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.59772802\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52302206 0.27238411 0.43934439 1\n C C1 1 0.60960480 0.16874276 -0.07766644 1\n C C2 1 0.36261328 0.79469426 0.75524313 1\n C C3 1 0.87820386 0.91637479 0.43926092 1\n C C4 1 0.98220022 0.19139218 0.27214992 1\n C C5 1 0.71750166 0.44114924 0.75551722 1\n C C6 1 0.63026883 0.54269150 0.27245662 1\n C C7 1 0.25819380 0.52184935 0.92241093 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49292000\n_cell_length_b 7.47501000\n_cell_length_c 8.11248000\n_cell_angle_alpha 102.25281000\n_cell_angle_beta 101.63631000\n_cell_angle_gamma 89.07011000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 144.63724754\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68830581 0.14432112 0.48661774 1\n C C1 1 0.86197444 0.23606701 0.96273960 1\n C C2 1 0.80512478 0.47396409 0.77427210 1\n C C3 1 0.83205862 0.29026707 0.80896253 1\n C C4 1 0.78127854 0.13643574 0.67030056 1\n C C5 1 0.38225801 0.95466600 1.01277512 1\n C C6 1 0.43708370 0.66776080 0.16845383 1\n C C7 1 -0.40125593 -0.02013409 0.34119834 1\n C C8 1 0.15877756 0.43852192 0.48180581 1\n C C9 1 0.95024963 0.34877624 0.14186626 1\n C C10 1 0.56941212 0.79596126 0.32623754 1\n C C11 1 0.82584824 0.79041175 0.65225134 1\n C C12 1 0.49973350 0.06915300 1.19325876 1\n C C13 1 1.02094736 0.19022467 0.23566454 1\n C C14 1 0.47783065 0.47170112 0.20298834 1\n C C15 1 0.79386943 0.98236374 0.73473033 1\n C C16 1 0.68499714 0.71445996 0.46498427 1\n C C17 1 0.39547830 0.70722081 0.71847125 1\n C C18 1 0.83921540 1.02408121 0.92717916 1\n C C19 1 0.26415274 0.50827183 0.67107802 1\n C C20 1 0.61531856 0.51364827 0.40713564 1\n C C21 1 0.73871930 0.66438856 0.89606062 1\n C C22 1 0.31762043 0.73417254 0.00195964 1\n C C23 1 0.14483385 0.23854227 0.43232105 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51630000\n_cell_length_b 2.48853000\n_cell_length_c 4.30621000\n_cell_angle_alpha 106.78741000\n_cell_angle_beta 65.92290000\n_cell_angle_gamma 90.00763000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.63668652\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00795066 0.96756449 1.07290712 1\n C C1 1 0.75763115 0.46752276 1.07299628 1\n C C2 1 0.42430065 0.80080890 0.73967146 1\n C C3 1 1.09095395 0.13408926 0.40634520 1\n C C4 1 0.34127346 0.63413099 0.40625604 1\n C C5 1 0.67460396 0.30084485 0.73958086 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48187000\n_cell_length_b 3.68853000\n_cell_length_c 4.22075000\n_cell_angle_alpha 75.07922000\n_cell_angle_beta 90.01170000\n_cell_angle_gamma 70.34615000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00040328\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53235297 0.52616869 0.15746543 1\n C C1 1 0.78750211 1.01232087 0.72900927 1\n C C2 1 0.33230459 0.92329515 0.23351993 1\n C C3 1 0.75398890 0.08059897 0.36396951 1\n C C4 1 1.20930594 0.16891538 -0.14029186 1\n C C5 1 0.01214898 0.56644654 0.93561212 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45392000\n_cell_length_b 5.78224000\n_cell_length_c 7.47067000\n_cell_angle_alpha 126.93085000\n_cell_angle_beta 90.06435000\n_cell_angle_gamma 102.31175000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.64407947\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00301894 0.37023637 0.57482758 1\n C C1 1 0.49836289 0.36167806 0.65935124 1\n C C2 1 -0.14584290 0.06602021 0.14898537 1\n C C3 1 0.86950170 0.10597771 0.96814156 1\n C C4 1 0.20657294 0.76999612 0.25690066 1\n C C5 1 1.27804467 0.91364978 0.14071690 1\n C C6 1 0.11259466 0.58396710 0.99933220 1\n C C7 1 0.59724741 0.55028484 0.39779454 1\n C C8 1 0.39777491 0.16434303 -0.08826171 1\n C C9 1 0.68558280 0.72682141 0.33597488 1\n C C10 1 1.02215380 0.40137504 0.39102985 1\n C C11 1 0.52223777 0.40504744 0.87814535 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43177000\n_cell_length_b 3.19394000\n_cell_length_c 8.10945000\n_cell_angle_alpha 84.07091000\n_cell_angle_beta 82.04941000\n_cell_angle_gamma 69.01145000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.14278907\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04073827 0.58358985 0.36628621 1\n C C1 1 0.54158415 -0.16862502 0.11603983 1\n C C2 1 0.04072327 0.24894688 0.69995480 1\n C C3 1 1.04113209 0.08243025 0.86616615 1\n C C4 1 0.54030658 0.33461042 0.61640131 1\n C C5 1 0.54187004 0.99614105 0.94963627 1\n C C6 1 0.04172328 0.74641809 0.19965447 1\n C C7 1 0.54054683 0.49924608 0.44997925 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48102000\n_cell_length_b 4.14130000\n_cell_length_c 6.99723000\n_cell_angle_alpha 107.21258000\n_cell_angle_beta 100.20534000\n_cell_angle_gamma 90.00851000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.48190946\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96536426 0.34134410 1.04628574 1\n C C1 1 -0.14180672 0.35229356 0.82325907 1\n C C2 1 0.28020748 0.77447698 0.66792207 1\n C C3 1 0.50049041 1.20260693 1.11697032 1\n C C4 1 0.16501702 0.53996178 0.44471569 1\n C C5 1 0.35847308 0.57922150 0.82363239 1\n C C6 1 0.46652738 0.82332471 0.04751585 1\n C C7 1 0.66475358 0.02071459 0.44329494 1\n C C8 1 0.77990600 0.00128942 0.66743472 1\n C C9 1 1.01047315 0.71442201 0.13438803 1\n C C10 1 0.12130976 -0.17540401 0.35633416 1\n C C11 1 0.62942273 0.33070980 0.37463163 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26525000\n_cell_length_b 3.42605000\n_cell_length_c 4.73968000\n_cell_angle_alpha 65.34517000\n_cell_angle_beta 89.99133000\n_cell_angle_gamma 89.97292000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.18870582\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24060803 0.95897831 0.37346845 1\n C C1 1 0.61223538 0.81675499 0.56978988 1\n C C2 1 0.39349003 0.15331348 1.03947705 1\n C C3 1 0.96155185 0.15351413 0.53940145 1\n C C4 1 0.11214279 -0.04076275 0.87351142 1\n C C5 1 -0.10627549 0.62241576 0.40365013 1\n C C6 1 0.74053482 0.81674682 0.06998201 1\n C C7 1 0.46179129 0.62211946 -0.09626200 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39176000\n_cell_length_b 3.39147000\n_cell_length_c 5.27998000\n_cell_angle_alpha 87.04342000\n_cell_angle_beta 92.95485000\n_cell_angle_gamma 137.42295000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.02977819\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04562594 0.24435369 0.49717267 1\n C C1 1 0.67314984 0.61644710 0.89853481 1\n C C2 1 -0.10064757 0.39008606 0.97022447 1\n C C3 1 0.49274579 0.79683652 0.09538680 1\n C C4 1 0.07991179 0.20992911 0.77212725 1\n C C5 1 0.52753121 0.76260202 0.37075210 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43066000\n_cell_length_b 3.19981000\n_cell_length_c 8.26013000\n_cell_angle_alpha 72.04088000\n_cell_angle_beta 98.48779000\n_cell_angle_gamma 78.89585000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.47723205\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20642093 0.56557085 0.97193184 1\n C C1 1 0.45617336 0.06769176 0.72236098 1\n C C2 1 0.87292646 0.23429323 0.63890182 1\n C C3 1 0.12304275 0.73339848 0.38873279 1\n C C4 1 0.37322451 0.23172686 0.13839537 1\n C C5 1 0.70614725 0.56781021 0.47238324 1\n C C6 1 0.62311824 0.73262038 0.88857048 1\n C C7 1 0.95638929 0.06568131 0.22195279 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43269000\n_cell_length_b 4.61514000\n_cell_length_c 4.02789000\n_cell_angle_alpha 84.22245000\n_cell_angle_beta 89.75406000\n_cell_angle_gamma 74.75149000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.39664682\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60626315 0.92226855 0.46908255 1\n C C1 1 0.27201663 0.59047987 0.13350953 1\n C C2 1 0.16017855 0.81165670 0.35667648 1\n C C3 1 0.82597525 0.47976907 1.02135633 1\n C C4 1 0.49195563 1.14710739 0.68674127 1\n C C5 1 0.93811690 0.25752802 0.79976214 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46444000\n_cell_length_b 4.08174000\n_cell_length_c 8.06046000\n_cell_angle_alpha 86.56349000\n_cell_angle_beta 89.79807000\n_cell_angle_gamma 87.40478000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.85296886\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29352439 0.59225474 0.25913734 1\n C C1 1 0.59453135 0.00226657 0.43067735 1\n C C2 1 0.79228829 0.53548603 0.69838198 1\n C C3 1 0.75108483 0.82703140 0.25757029 1\n C C4 1 0.10280824 0.86937256 0.51995782 1\n C C5 1 0.27118433 0.49959349 0.94977687 1\n C C6 1 0.27604021 0.85214796 0.88812172 1\n C C7 1 0.94274808 0.49169196 0.51752854 1\n C C8 1 0.45087086 0.37957996 0.42941635 1\n C C9 1 0.77449331 0.02362088 0.93739161 1\n C C10 1 0.77595824 1.11295335 0.12398022 1\n C C11 1 0.27154776 0.34171733 0.12656734 1\n C C12 1 0.77757551 0.36499266 0.86823997 1\n C C13 1 0.25342691 0.76303632 0.70388809 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49417000\n_cell_length_b 7.05107000\n_cell_length_c 8.98213000\n_cell_angle_alpha 67.89508000\n_cell_angle_beta 87.75001000\n_cell_angle_gamma 74.05669000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 140.35936160\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49737168 0.52462987 0.63551575 1\n C C1 1 0.80663316 0.12989841 0.62594801 1\n C C2 1 1.30692882 0.90458457 0.05591965 1\n C C3 1 1.22424630 0.22217603 0.81051246 1\n C C4 1 1.10022019 0.90310658 0.46621855 1\n C C5 1 0.25457413 0.26844429 0.37036653 1\n C C6 1 0.05009922 0.46813981 0.56234615 1\n C C7 1 0.24323506 0.32121731 0.19040129 1\n C C8 1 0.23720506 0.74033055 0.62718230 1\n C C9 1 1.08650472 1.00705763 0.16287954 1\n C C10 1 0.21712965 0.85522959 0.32489875 1\n C C11 1 1.22252468 0.23967325 0.64429635 1\n C C12 1 -0.18377087 0.24657974 0.12374384 1\n C C13 1 0.45902930 0.62985151 0.31428226 1\n C C14 1 0.47011846 0.66912955 0.13565372 1\n C C15 1 0.05195098 0.56887118 0.09487398 1\n C C16 1 0.85418412 0.13265677 0.45458514 1\n C C17 1 0.64688725 0.34318932 0.81379165 1\n C C18 1 0.34730787 -0.01134022 0.88224688 1\n C C19 1 0.08551353 0.55317933 0.93034927 1\n C C20 1 0.67273811 0.41545761 0.94553965 1\n C C21 1 1.05342575 0.50105518 0.38930659 1\n C C22 1 -0.10698122 0.94254224 0.79440119 1\n C C23 1 0.04012135 0.74284979 0.77631332 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44847000\n_cell_length_b 4.81338000\n_cell_length_c 6.46249000\n_cell_angle_alpha 90.73315000\n_cell_angle_beta 112.23966000\n_cell_angle_gamma 104.69534000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.68575214\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.23103598 0.60243745 1.02894155 1\n C C1 1 0.09180782 0.55473754 0.87530751 1\n C C2 1 0.56350579 0.24403307 0.50496919 1\n C C3 1 0.30250933 -0.05763997 0.39409945 1\n C C4 1 1.07137217 0.40836059 0.43003729 1\n C C5 1 0.29742314 1.07863712 0.82121346 1\n C C6 1 0.80709873 0.37756042 0.18238928 1\n C C7 1 0.54650517 1.07534814 0.07258497 1\n C C8 1 0.02459964 0.76711669 0.70200167 1\n C C9 1 0.81445749 0.24160424 0.75693197 1\n C C10 1 0.34679126 0.71881728 0.54804236 1\n C C11 1 0.03867514 0.91124504 0.14665471 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48677000\n_cell_length_b 7.84768000\n_cell_length_c 6.03683000\n_cell_angle_alpha 80.81077000\n_cell_angle_beta 78.11779000\n_cell_angle_gamma 80.89807000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 112.84553505\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03247401 0.10478414 0.46958227 1\n C C1 1 -0.12893885 0.72144262 0.17333297 1\n C C2 1 0.45278485 0.14869166 0.58454758 1\n C C3 1 0.15373508 0.61447894 0.71310872 1\n C C4 1 -0.30089689 0.08766328 0.15446813 1\n C C5 1 -0.12048030 0.52843738 0.34576001 1\n C C6 1 0.72197989 0.89195329 0.29653267 1\n C C7 1 0.75821298 0.30251259 0.81790709 1\n C C8 1 1.04806259 0.38278002 0.15989290 1\n C C9 1 0.31129345 0.50413700 0.50522446 1\n C C10 1 0.07195814 0.81118746 0.67531291 1\n C C11 1 1.14058185 0.90913957 0.44141984 1\n C C12 1 0.48324114 0.85938261 0.80423598 1\n C C13 1 0.59425913 0.58161855 0.86870382 1\n C C14 1 0.38682633 0.04415633 0.81434944 1\n C C15 1 0.32229748 0.32660830 0.66334293 1\n C C16 1 0.60972045 0.41237550 0.00865261 1\n C C17 1 -0.19397809 0.10983120 0.91074029 1\n C C18 1 0.44575901 0.72632811 1.01973845 1\n C C19 1 1.11546385 0.17877565 0.23187310 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.57240000\n_cell_length_b 4.24257000\n_cell_length_c 4.85138000\n_cell_angle_alpha 90.17872000\n_cell_angle_beta 70.00508000\n_cell_angle_gamma 75.71755000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.99372952\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48755669 0.81983259 0.51455248 1\n C C1 1 0.44061109 0.32342718 0.77183262 1\n C C2 1 0.29913576 0.34404354 0.30182607 1\n C C3 1 1.35960196 0.50069902 0.02616476 1\n C C4 1 0.23966447 0.85825116 1.05525293 1\n C C5 1 0.54785244 0.97725418 0.23893344 1\n C C6 1 0.40668475 -0.00335018 0.76895326 1\n C C7 1 0.60705283 0.46249301 0.48568632 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43723000\n_cell_length_b 4.19980000\n_cell_length_c 8.91458000\n_cell_angle_alpha 109.98935000\n_cell_angle_beta 89.99161000\n_cell_angle_gamma 90.00358000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.75139545\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13932090 0.85786673 0.41883687 1\n C C1 1 0.13935286 0.70100669 0.65753875 1\n C C2 1 0.13958358 0.07898440 0.70540260 1\n C C3 1 0.63926902 0.81040529 0.90510814 1\n C C4 1 0.63922302 0.35209961 0.39945455 1\n C C5 1 1.13910543 1.14067432 0.14284499 1\n C C6 1 1.13933391 0.91657074 0.98292828 1\n C C7 1 0.13927690 0.55631668 0.46946038 1\n C C8 1 0.63928839 0.60553764 0.73232987 1\n C C9 1 0.63910237 0.23342069 0.22240900 1\n C C10 1 -0.36048746 0.24645509 0.72091330 1\n C C11 1 0.63928729 0.00846753 0.40981207 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46217000\n_cell_length_b 3.39390000\n_cell_length_c 6.08096000\n_cell_angle_alpha 119.61362000\n_cell_angle_beta 78.29792000\n_cell_angle_gamma 111.29997000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.14239762\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35286749 0.05242240 0.97454825 1\n C C1 1 0.89614607 0.74628863 0.57241183 1\n C C2 1 0.31374745 0.25882080 0.24983393 1\n C C3 1 0.71820514 0.19483292 0.37612891 1\n C C4 1 0.49084531 0.80975948 0.44603534 1\n C C5 1 0.86808525 0.95658138 0.84795464 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48638000\n_cell_length_b 3.51802000\n_cell_length_c 4.96918000\n_cell_angle_alpha 90.00239000\n_cell_angle_beta 89.82520000\n_cell_angle_gamma 89.99862000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.46588382\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65956045 0.34676377 0.27058265 1\n C C1 1 0.15888775 0.59585862 0.77056279 1\n C C2 1 1.15954128 0.59577391 0.27057069 1\n C C3 1 0.65891315 0.34687171 0.77056972 1\n C C4 1 0.15890378 0.84684226 1.02056619 1\n C C5 1 0.65889883 0.09584819 0.02055623 1\n C C6 1 0.65937800 0.09578550 0.52058199 1\n C C7 1 0.15938456 0.84678995 0.52058034 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42686000\n_cell_length_b 4.22886000\n_cell_length_c 4.23108000\n_cell_angle_alpha 86.48439000\n_cell_angle_beta 89.90205000\n_cell_angle_gamma 90.06053000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34113532\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69476427 0.92537489 0.59863926 1\n C C1 1 0.69478156 0.57480163 0.65891251 1\n C C2 1 0.19493412 0.43257812 0.51641786 1\n C C3 1 0.19484571 0.08230060 0.57672328 1\n C C4 1 0.19441968 0.49283315 0.16629597 1\n C C5 1 0.69476006 0.51476071 0.00936743 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42590000\n_cell_length_b 4.87141000\n_cell_length_c 4.22098000\n_cell_angle_alpha 90.61609000\n_cell_angle_beta 89.99094000\n_cell_angle_gamma 60.11179000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.24398651\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11847516 0.75802345 0.68890739 1\n C C1 1 0.53226016 0.84462405 0.19325561 1\n C C2 1 0.17983721 0.69710762 0.34075443 1\n C C3 1 0.59251184 0.78382531 0.84529461 1\n C C4 1 0.52811189 0.34904245 0.27950353 1\n C C5 1 0.18481923 0.19262551 0.25364313 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48470000\n_cell_length_b 4.08719000\n_cell_length_c 4.67555000\n_cell_angle_alpha 83.30095000\n_cell_angle_beta 74.59794000\n_cell_angle_gamma 90.01111000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44034257\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30216519 0.40118888 0.67715576 1\n C C1 1 0.96039811 0.80772312 0.36401755 1\n C C2 1 0.78962702 -0.12448821 0.70553673 1\n C C3 1 0.57409587 0.33871144 0.13592292 1\n C C4 1 0.46107680 0.58131833 0.36219776 1\n C C5 1 0.73021672 0.52004413 0.82093701 1\n C C6 1 0.24594014 1.04494613 0.79191888 1\n C C7 1 0.07533264 0.11406148 0.13360699 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47321000\n_cell_length_b 3.49223000\n_cell_length_c 4.67323000\n_cell_angle_alpha 103.15384000\n_cell_angle_beta 108.51934000\n_cell_angle_gamma 105.24376000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.76658240\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95884742 0.72709783 0.54672494 1\n C C1 1 0.40965347 0.80993138 0.76145683 1\n C C2 1 0.87504767 0.88801990 0.31123872 1\n C C3 1 0.11526317 0.38413229 0.04714056 1\n C C4 1 0.58678599 0.46678034 0.59659135 1\n C C5 1 0.71876230 0.23093445 0.81111135 1\n C C6 1 0.42426010 0.80502094 0.09657879 1\n C C7 1 0.24728919 0.14824429 0.26159816 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47393000\n_cell_length_b 4.47146000\n_cell_length_c 4.24709000\n_cell_angle_alpha 111.40039000\n_cell_angle_beta 89.99718000\n_cell_angle_gamma 123.61078000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17242274\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27604182 0.27392110 0.70277585 1\n C C1 1 0.84151001 0.83915425 0.42502372 1\n C C2 1 0.38717797 0.88505588 0.92570069 1\n C C3 1 0.79553309 0.29340910 0.92575812 1\n C C4 1 0.23028076 0.72807132 0.20344716 1\n C C5 1 0.68437684 0.68212185 0.70278756 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43018000\n_cell_length_b 3.07125000\n_cell_length_c 6.41379000\n_cell_angle_alpha 74.64487000\n_cell_angle_beta 79.25705000\n_cell_angle_gamma 100.80136000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.91357959\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53140544 0.36856930 0.85270882 1\n C C1 1 0.64147735 0.36806432 0.63083758 1\n C C2 1 0.30917538 0.36963391 0.29706414 1\n C C3 1 -0.02463522 0.36934473 0.96366980 1\n C C4 1 0.86596948 0.37034616 0.18548068 1\n C C5 1 0.19876987 0.36999118 0.51894369 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43185000\n_cell_length_b 3.98044000\n_cell_length_c 4.65970000\n_cell_angle_alpha 95.75246000\n_cell_angle_beta 105.82382000\n_cell_angle_gamma 90.52520000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.14592050\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83096523 0.56999749 0.10259971 1\n C C1 1 0.16316777 0.90085119 0.76750280 1\n C C2 1 0.71719722 0.78744438 0.87739459 1\n C C3 1 0.49660704 0.23457816 0.43464424 1\n C C4 1 0.05077166 0.12203512 0.54480476 1\n C C5 1 0.38530277 0.45767506 0.21314530 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55612000\n_cell_length_b 4.60268000\n_cell_length_c 5.25947000\n_cell_angle_alpha 110.24749000\n_cell_angle_beta 119.56102000\n_cell_angle_gamma 73.87891000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.06181834\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52626355 0.20223105 0.21651101 1\n C C1 1 -0.07009655 1.04571282 0.04276663 1\n C C2 1 0.07780152 0.69646812 0.01586073 1\n C C3 1 0.58598894 0.71744974 0.53455865 1\n C C4 1 -0.10986164 0.19776699 0.57854583 1\n C C5 1 0.37827883 0.55153041 0.24348177 1\n C C6 1 0.56616029 0.05013947 0.68080274 1\n C C7 1 0.87061755 0.53049731 0.72478962 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45083000\n_cell_length_b 4.90259000\n_cell_length_c 5.45218000\n_cell_angle_alpha 63.25478000\n_cell_angle_beta 89.98166000\n_cell_angle_gamma 89.97453000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.50168567\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46986586 0.95729469 0.80157865 1\n C C1 1 0.97001009 1.05213598 0.61313165 1\n C C2 1 0.47017296 0.07578860 0.23829718 1\n C C3 1 0.46993936 0.47893004 0.75812502 1\n C C4 1 -0.03001835 0.38898772 0.40861485 1\n C C5 1 0.97019751 0.57584189 0.56503080 1\n C C6 1 0.46994866 0.40273130 0.23790010 1\n C C7 1 0.97031584 0.91979543 0.40915387 1\n C C8 1 0.46976117 0.14730063 0.94616281 1\n C C9 1 0.46951661 0.62277633 0.94580677 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47285000\n_cell_length_b 3.23479000\n_cell_length_c 6.10974000\n_cell_angle_alpha 121.93898000\n_cell_angle_beta 78.29057000\n_cell_angle_gamma 112.50815000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.31470080\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35827290 0.38537347 0.29483429 1\n C C1 1 0.35545552 0.12360259 1.03853348 1\n C C2 1 0.03593367 0.11485454 0.66670285 1\n C C3 1 0.67495762 0.39289720 0.66664809 1\n C C4 1 0.85578144 0.97104022 0.88543719 1\n C C5 1 0.85739265 0.53715478 0.44789801 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47353000\n_cell_length_b 6.30824000\n_cell_length_c 6.62140000\n_cell_angle_alpha 109.47696000\n_cell_angle_beta 108.01651000\n_cell_angle_gamma 86.15533000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.55446282\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18015643 0.35684245 0.71105707 1\n C C1 1 0.48318937 0.89619100 0.46618515 1\n C C2 1 0.87211189 0.11151123 0.89226661 1\n C C3 1 0.59243293 0.64019913 0.42043207 1\n C C4 1 0.45149495 0.67631803 1.01887922 1\n C C5 1 0.67373114 0.92599569 0.70674171 1\n C C6 1 -0.30327959 0.68504804 0.67633818 1\n C C7 1 0.88607231 0.23856938 0.45660331 1\n C C8 1 0.96366429 0.54397460 0.05981819 1\n C C9 1 0.60648691 0.93074749 0.13760294 1\n C C10 1 0.80976395 0.32657320 0.84724284 1\n C C11 1 0.06364495 0.51451308 0.29464584 1\n C C12 1 0.06846735 0.06714867 0.10715983 1\n C C13 1 0.25755095 0.60711822 0.76521479 1\n C C14 1 0.22617317 0.27966797 0.32434705 1\n C C15 1 0.87687429 -0.01492906 0.38783700 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.91995000\n_cell_length_b 4.20885000\n_cell_length_c 4.52621000\n_cell_angle_alpha 113.18670000\n_cell_angle_beta 77.42772000\n_cell_angle_gamma 121.88417000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.41407362\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56898398 0.94890958 0.88372319 1\n C C1 1 0.29776241 -0.01592361 0.19345272 1\n C C2 1 0.51113829 0.38754448 0.38411010 1\n C C3 1 0.91917975 0.60159164 0.19297162 1\n C C4 1 0.35569972 0.54529032 0.69322089 1\n C C5 1 -0.05284626 0.33144050 -0.11581663 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45023000\n_cell_length_b 4.53984000\n_cell_length_c 4.59915000\n_cell_angle_alpha 76.52186000\n_cell_angle_beta 57.81498000\n_cell_angle_gamma 74.20310000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.41822393\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05460888 -0.01429732 0.09393119 1\n C C1 1 0.98451386 0.19091982 0.56149000 1\n C C2 1 0.69633148 0.49397757 0.69823735 1\n C C3 1 0.76976307 0.92863929 0.90708660 1\n C C4 1 0.69930873 0.13400632 0.37478195 1\n C C5 1 0.05830068 0.62500153 0.77084992 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44298000\n_cell_length_b 5.77041000\n_cell_length_c 5.07595000\n_cell_angle_alpha 50.20263000\n_cell_angle_beta 42.93122000\n_cell_angle_gamma 70.21895000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.11408769\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37794932 0.87105109 0.86258462 1\n C C1 1 0.06737926 0.54406068 0.27596645 1\n C C2 1 0.31123264 0.38659562 0.49054556 1\n C C3 1 0.39175135 0.55369356 0.60876249 1\n C C4 1 1.00045998 0.05961269 -0.09615311 1\n C C5 1 0.95704920 1.03306509 0.44285510 1\n C C6 1 0.98695015 0.37699246 0.15771202 1\n C C7 1 0.42138070 0.89753921 0.32353036 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27429000\n_cell_length_b 3.63342000\n_cell_length_c 3.27011000\n_cell_angle_alpha 75.47124000\n_cell_angle_beta 99.17523000\n_cell_angle_gamma 104.55824000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25740263\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30875446 0.18321574 0.70935207 1\n C C1 1 0.16030038 -0.05431623 0.13596681 1\n C C2 1 0.52199105 0.94609655 0.49636960 1\n C C3 1 0.94836597 0.18308837 0.34746483 1\n C C4 1 0.89438956 0.56447771 0.08100232 1\n C C5 1 0.57695388 0.56473376 -0.23545524 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48894000\n_cell_length_b 3.50764000\n_cell_length_c 4.30506000\n_cell_angle_alpha 65.97732000\n_cell_angle_beta 106.79173000\n_cell_angle_gamma 89.98377000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.56528000\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59781978 0.47344268 0.16642021 1\n C C1 1 0.93115312 0.14010935 0.83308688 1\n C C2 1 0.43112638 0.39013345 0.83313952 1\n C C3 1 0.76445972 0.05680012 0.49980619 1\n C C4 1 0.26448645 0.80677602 0.49975354 1\n C C5 1 0.09779305 0.72346678 0.16647286 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44055000\n_cell_length_b 5.94263000\n_cell_length_c 5.15465000\n_cell_angle_alpha 67.84669000\n_cell_angle_beta 61.71998000\n_cell_angle_gamma 65.70677000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.44072746\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45199568 0.63015020 0.09191279 1\n C C1 1 1.19812853 0.20549582 0.27346847 1\n C C2 1 0.50734187 0.36956819 0.29852553 1\n C C3 1 0.71962420 0.76671004 0.18650146 1\n C C4 1 0.36359283 0.75147744 0.55789331 1\n C C5 1 0.10204288 1.01952610 0.55383449 1\n C C6 1 0.56362445 0.04694605 0.06370426 1\n C C7 1 0.73123255 0.18348556 0.75976212 1\n C C8 1 1.16184630 0.35615346 0.65603417 1\n C C9 1 -0.16922978 0.61623494 0.72659010 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47422000\n_cell_length_b 4.28088000\n_cell_length_c 4.80479000\n_cell_angle_alpha 63.50455000\n_cell_angle_beta 75.07489000\n_cell_angle_gamma 90.00238000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61932770\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02415401 0.98326072 0.65717365 1\n C C1 1 1.22573695 0.56657886 0.15722303 1\n C C2 1 0.72579785 0.06655016 0.15724900 1\n C C3 1 0.16330826 0.17027831 0.28299058 1\n C C4 1 0.41327728 0.75370407 0.78295802 1\n C C5 1 0.66318220 0.67024435 0.28302555 1\n C C6 1 -0.08682667 0.25366547 0.78300365 1\n C C7 1 0.47572224 0.48322427 0.65722393 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48288000\n_cell_length_b 3.74284000\n_cell_length_c 4.57847000\n_cell_angle_alpha 89.97453000\n_cell_angle_beta 57.15195000\n_cell_angle_gamma 89.99906000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.74493425\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74769171 0.35898759 0.88402019 1\n C C1 1 0.54225914 0.86260078 0.58829854 1\n C C2 1 0.04212713 0.62663251 0.58847370 1\n C C3 1 0.24781339 0.13001305 0.88386487 1\n C C4 1 0.95239636 0.86230504 0.17854151 1\n C C5 1 0.45227107 0.62653484 0.17869397 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.62773000\n_cell_length_b 4.23431000\n_cell_length_c 4.24329000\n_cell_angle_alpha 120.05149000\n_cell_angle_beta 89.97559000\n_cell_angle_gamma 131.61606000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.19906419\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93817510 1.13241873 1.01768029 1\n C C1 1 0.27578230 -0.29304832 0.44404253 1\n C C2 1 1.10726905 0.91988957 0.38926396 1\n C C3 1 0.93835715 0.13241438 0.65679034 1\n C C4 1 0.10665657 0.91943705 0.07240128 1\n C C5 1 0.27560262 0.70695148 0.80486459 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.87587000\n_cell_length_b 3.63428000\n_cell_length_c 5.84365000\n_cell_angle_alpha 100.43278000\n_cell_angle_beta 124.84919000\n_cell_angle_gamma 105.15697000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.96710838\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44555996 0.65164661 0.11025906 1\n C C1 1 0.63322008 0.43763092 0.30146420 1\n C C2 1 0.63428708 1.05697029 0.30191087 1\n C C3 1 0.13862629 0.49854683 0.80195805 1\n C C4 1 0.94737505 0.71179416 0.61019639 1\n C C5 1 0.94682683 0.09273179 0.60988493 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45426000\n_cell_length_b 3.35253000\n_cell_length_c 7.42233000\n_cell_angle_alpha 90.58736000\n_cell_angle_beta 99.49860000\n_cell_angle_gamma 111.36012000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.93121502\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05871380 0.82201410 0.48013420 1\n C C1 1 0.63904025 -0.29835451 0.76065748 1\n C C2 1 0.71620190 0.65883257 0.95671698 1\n C C3 1 0.11548371 0.74337725 0.67064783 1\n C C4 1 -0.01017525 0.06213210 0.10162520 1\n C C5 1 0.45551033 0.90180347 0.19244774 1\n C C6 1 0.18155479 0.49799724 0.04657658 1\n C C7 1 0.53362058 0.86131389 0.38938688 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51350000\n_cell_length_b 3.82444000\n_cell_length_c 6.26984000\n_cell_angle_alpha 73.05433000\n_cell_angle_beta 82.97770000\n_cell_angle_gamma 83.20427000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.00347597\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83338717 0.29559681 0.48854113 1\n C C1 1 0.36871640 0.04838492 0.49544057 1\n C C2 1 0.30569469 0.70411278 0.69560034 1\n C C3 1 0.57543728 -0.04749214 0.28854136 1\n C C4 1 0.74954459 0.11461230 0.89042938 1\n C C5 1 0.54093668 0.21033910 0.09742206 1\n C C6 1 0.78750531 0.59372661 0.26606988 1\n C C7 1 0.80869941 0.45923831 0.69029371 1\n C C8 1 0.33087772 0.56862470 0.12042760 1\n C C9 1 0.28520476 0.86719260 0.89768036 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.72710000\n_cell_length_b 4.30173000\n_cell_length_c 3.72723000\n_cell_angle_alpha 54.71264000\n_cell_angle_beta 70.50992000\n_cell_angle_gamma 54.69975000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.81013164\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54674588 0.13468857 0.77129430 1\n C C1 1 0.04673322 0.38465104 0.77129121 1\n C C2 1 0.54674280 0.38465104 0.27128163 1\n C C3 1 0.79700517 0.13435466 0.02155358 1\n C C4 1 1.04672339 0.63460269 0.27127180 1\n C C5 1 0.79719496 0.63414761 0.02174337 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.23535000\n_cell_length_b 4.01517000\n_cell_length_c 3.90387000\n_cell_angle_alpha 64.11685000\n_cell_angle_beta 108.57464000\n_cell_angle_gamma 110.04982000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.99637817\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52289215 0.34073251 0.89618356 1\n C C1 1 0.52297412 1.00907356 0.22775891 1\n C C2 1 0.85630745 0.67574023 -0.10557443 1\n C C3 1 1.18964079 0.34240689 0.56109224 1\n C C4 1 0.18955881 0.67406584 0.22951689 1\n C C5 1 0.85622548 1.00739917 0.56285023 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46053000\n_cell_length_b 3.40066000\n_cell_length_c 5.31957000\n_cell_angle_alpha 96.32621000\n_cell_angle_beta 90.00736000\n_cell_angle_gamma 111.16204000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.21839739\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24860229 1.03262007 0.81008464 1\n C C1 1 0.28254799 0.09614250 0.08635746 1\n C C2 1 0.11114220 0.75223190 0.28006404 1\n C C3 1 0.70870355 0.94877588 0.40741966 1\n C C4 1 0.88101213 0.29360899 0.21255013 1\n C C5 1 0.73741853 0.01123426 0.68340696 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.77621000\n_cell_length_b 3.63906000\n_cell_length_c 5.05267000\n_cell_angle_alpha 67.82356000\n_cell_angle_beta 110.86455000\n_cell_angle_gamma 91.80801000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.85692762\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77907020 0.35706389 0.85090268 1\n C C1 1 0.46929027 0.51079975 0.54092013 1\n C C2 1 0.27942151 0.91635748 0.34946064 1\n C C3 1 0.27967706 0.29778054 0.34974327 1\n C C4 1 0.97037900 0.57120552 1.04135909 1\n C C5 1 0.97118706 0.95211382 0.04228409 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20030000\n_cell_length_b 4.24693000\n_cell_length_c 4.20134000\n_cell_angle_alpha 126.19005000\n_cell_angle_beta 119.95016000\n_cell_angle_gamma 94.17743000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.58125781\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76547216 0.52485722 0.12022050 1\n C C1 1 0.43250890 0.52586838 0.78764771 1\n C C2 1 0.09908393 0.52572797 0.12083328 1\n C C3 1 0.43227761 0.52519198 0.45385401 1\n C C4 1 0.09899943 0.52529955 0.78725343 1\n C C5 1 0.76582307 0.52585560 0.45429528 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42804000\n_cell_length_b 4.47761000\n_cell_length_c 5.62217000\n_cell_angle_alpha 82.93659000\n_cell_angle_beta 90.00147000\n_cell_angle_gamma 67.49884000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.01795615\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26663966 0.61630628 0.04278083 1\n C C1 1 0.30843321 0.48101245 0.62862334 1\n C C2 1 0.92805543 0.24111191 0.92393717 1\n C C3 1 0.21764868 0.17293571 0.72322643 1\n C C4 1 -0.32127186 0.86010348 0.27687451 1\n C C5 1 0.87150228 0.92295002 1.00978823 1\n C C6 1 0.63218697 0.86095042 0.77651707 1\n C C7 1 0.57433633 0.34445989 0.42973819 1\n C C8 1 0.52919807 0.54973526 0.82961869 1\n C C9 1 0.32472082 0.15347561 0.32488924 1\n C C10 1 0.93318873 0.79934998 0.54338628 1\n C C11 1 1.05807134 0.37698076 0.12297767 1\n C C12 1 0.02254249 0.10531588 0.51002101 1\n C C13 1 0.61857766 0.56709415 0.22781035 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42585000\n_cell_length_b 4.22882000\n_cell_length_c 4.22785000\n_cell_angle_alpha 87.45726000\n_cell_angle_beta 89.99662000\n_cell_angle_gamma 90.00136000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.32862408\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26457534 0.84729207 0.01357905 1\n C C1 1 0.26432412 0.25763927 0.60316124 1\n C C2 1 0.76456692 0.69014436 0.03583196 1\n C C3 1 0.26422965 0.19642462 0.95250045 1\n C C4 1 0.76431382 0.27966411 0.44601932 1\n C C5 1 0.76424126 0.34092176 1.09686297 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43669000\n_cell_length_b 5.76320000\n_cell_length_c 5.49813000\n_cell_angle_alpha 106.67146000\n_cell_angle_beta 105.52789000\n_cell_angle_gamma 77.85250000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.51489776\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57704153 0.96544353 0.99649821 1\n C C1 1 0.68292036 0.21744796 0.54671752 1\n C C2 1 0.57533614 0.72765952 0.79474011 1\n C C3 1 -0.20128172 -0.03923204 0.52716475 1\n C C4 1 0.38038108 0.85477560 0.57501591 1\n C C5 1 0.15293593 0.34332118 0.60256429 1\n C C6 1 0.93820582 0.34782384 1.07356478 1\n C C7 1 0.35597033 0.45297005 0.02405875 1\n C C8 1 1.04924376 0.09078108 1.05290594 1\n C C9 1 0.15492977 0.58073507 0.80431553 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41165000\n_cell_length_b 3.41316000\n_cell_length_c 5.94548000\n_cell_angle_alpha 100.35968000\n_cell_angle_beta 115.80678000\n_cell_angle_gamma 86.08590000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.30749567\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75171992 0.61932279 0.23612196 1\n C C1 1 0.40690073 0.87279561 0.62717314 1\n C C2 1 0.10054951 0.49855122 0.46769145 1\n C C3 1 0.44536779 0.14890347 0.46279752 1\n C C4 1 0.22286564 0.86544443 -0.04488668 1\n C C5 1 0.26869570 0.14806655 0.80295916 1\n C C6 1 0.45886115 0.90979375 0.23528225 1\n C C7 1 -0.11465706 0.35290433 0.62689805 1\n C C8 1 0.78803019 0.66649492 0.80331693 1\n C C9 1 0.56558712 0.51923442 0.95123061 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48701000\n_cell_length_b 4.06000000\n_cell_length_c 4.69787000\n_cell_angle_alpha 106.03651000\n_cell_angle_beta 90.02113000\n_cell_angle_gamma 90.01062000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.58969622\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61714361 1.00513348 0.55852952 1\n C C1 1 0.61724171 0.97291734 1.02463668 1\n C C2 1 0.61677827 0.77237480 0.25022764 1\n C C3 1 0.61697363 0.73939138 0.71700999 1\n C C4 1 0.11732466 0.19820054 1.01974213 1\n C C5 1 0.11664736 0.54656866 0.25527700 1\n C C6 1 0.11719911 0.20648839 0.67324474 1\n C C7 1 1.11693716 0.53823131 0.60204959 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48297000\n_cell_length_b 4.71920000\n_cell_length_c 6.27203000\n_cell_angle_alpha 100.44065000\n_cell_angle_beta 101.43156000\n_cell_angle_gamma 105.24595000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.35131073\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16814169 0.84144332 0.39799818 1\n C C1 1 0.63299587 0.70059643 0.46887295 1\n C C2 1 0.36353017 0.79030037 0.83671739 1\n C C3 1 0.56459292 -0.05422655 0.08609610 1\n C C4 1 0.98048544 1.19053919 0.67675151 1\n C C5 1 0.83722040 0.85618701 0.71897224 1\n C C6 1 0.39625373 0.17126693 0.52798159 1\n C C7 1 1.03104582 0.80644985 0.15727736 1\n C C8 1 0.21558810 0.45608916 -0.12035688 1\n C C9 1 0.79953583 0.47605427 0.02755915 1\n C C10 1 0.78999188 0.28385349 0.19936054 1\n C C11 1 0.40674495 0.36219042 0.35536516 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.49263000\n_cell_length_b 4.60472000\n_cell_length_c 3.79282000\n_cell_angle_alpha 57.14883000\n_cell_angle_beta 70.37554000\n_cell_angle_gamma 43.53335000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.17705630\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56168432 0.56086558 -0.06824877 1\n C C1 1 0.44759700 0.02267960 0.80125032 1\n C C2 1 0.93184663 0.06083549 0.25145918 1\n C C3 1 0.29991673 0.01060320 0.22865913 1\n C C4 1 0.67029945 0.51052453 0.54822718 1\n C C5 1 0.78440442 1.04870074 0.67892793 1\n C C6 1 0.10379511 0.73132588 1.07243045 1\n C C7 1 0.12820704 0.33999437 0.40772356 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43861000\n_cell_length_b 4.23134000\n_cell_length_c 6.52857000\n_cell_angle_alpha 90.21964000\n_cell_angle_beta 79.29801000\n_cell_angle_gamma 90.00603000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.19339105\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49284974 0.38441247 0.35733166 1\n C C1 1 0.83110219 0.27095335 0.68078469 1\n C C2 1 0.14509505 0.87788998 0.03081750 1\n C C3 1 0.15868179 0.22815716 0.01588549 1\n C C4 1 0.61300086 0.38226401 0.10918582 1\n C C5 1 1.46137220 0.72386232 0.42231391 1\n C C6 1 0.95677669 0.88109779 0.43390874 1\n C C7 1 -0.05230691 0.23105229 0.45010498 1\n C C8 1 0.27976129 0.27012303 0.78526481 1\n C C9 1 0.63968331 0.72094930 1.04382259 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46988000\n_cell_length_b 5.95564000\n_cell_length_c 7.61487000\n_cell_angle_alpha 97.76954000\n_cell_angle_beta 77.30760000\n_cell_angle_gamma 108.48935000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.37477870\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30148703 0.44012112 0.83707322 1\n C C1 1 0.23157943 0.14567761 0.14314131 1\n C C2 1 1.13923003 0.49289790 0.03433882 1\n C C3 1 0.29041524 0.23135584 0.56728798 1\n C C4 1 0.52927850 0.56029808 0.30858988 1\n C C5 1 0.37104882 0.79303055 0.67202664 1\n C C6 1 0.49365015 0.39969697 0.13221766 1\n C C7 1 0.96716290 0.53576080 0.74248824 1\n C C8 1 0.72830059 0.77870478 0.21159622 1\n C C9 1 0.49843033 0.02502776 0.80673782 1\n C C10 1 -0.02879329 0.56370936 0.42500266 1\n C C11 1 0.27983868 0.75896887 0.09104186 1\n C C12 1 -0.10900540 0.38564606 0.56165000 1\n C C13 1 1.26734917 1.01985394 0.43394571 1\n C C14 1 0.13718702 0.17177155 0.76391625 1\n C C15 1 0.38057437 0.98031635 0.00054922 1\n C C16 1 0.86719384 0.01211131 0.31127890 1\n C C17 1 -0.00634122 0.79758405 0.54631640 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45723000\n_cell_length_b 3.66272000\n_cell_length_c 6.83184000\n_cell_angle_alpha 111.19753000\n_cell_angle_beta 111.05155000\n_cell_angle_gamma 70.38036000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.98173332\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64755264 0.24959267 0.84321216 1\n C C1 1 0.82089018 0.80179008 0.79128438 1\n C C2 1 0.66958881 0.25072853 0.36388839 1\n C C3 1 0.06724914 0.80654662 0.04068850 1\n C C4 1 0.35736207 0.55718468 0.70470163 1\n C C5 1 0.53288371 0.05032753 0.12752681 1\n C C6 1 1.22096642 0.35610142 0.46834607 1\n C C7 1 0.23846403 0.35885027 0.98896855 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30023000\n_cell_length_b 5.49474000\n_cell_length_c 5.37860000\n_cell_angle_alpha 113.62088000\n_cell_angle_beta 96.40258000\n_cell_angle_gamma 119.06011000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.18126189\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72322823 0.32807821 0.18836547 1\n C C1 1 1.08768875 0.28916592 0.59235189 1\n C C2 1 0.27859481 0.84453461 0.22403647 1\n C C3 1 0.56791441 0.77073327 0.59237458 1\n C C4 1 0.65979618 0.97303405 0.48086127 1\n C C5 1 0.29559586 0.01188807 0.07679847 1\n C C6 1 0.84094895 0.79895028 0.83478124 1\n C C7 1 0.54278442 0.50173861 0.83383876 1\n C C8 1 1.10450316 0.45661016 0.44524828 1\n C C9 1 -0.18428428 0.53028520 0.07664577 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48092000\n_cell_length_b 3.68811000\n_cell_length_c 4.21984000\n_cell_angle_alpha 75.02027000\n_cell_angle_beta 90.04004000\n_cell_angle_gamma 109.66367000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96556813\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41875069 0.75814682 -0.05058522 1\n C C1 1 0.54131888 0.00416026 0.57556030 1\n C C2 1 0.96298156 0.84759943 0.44474465 1\n C C3 1 0.99710317 0.91523744 0.08004736 1\n C C4 1 0.21852926 0.36102891 -0.12649479 1\n C C5 1 -0.26155745 0.40151244 0.65158030 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47759000\n_cell_length_b 4.28775000\n_cell_length_c 6.31306000\n_cell_angle_alpha 96.49586000\n_cell_angle_beta 101.32876000\n_cell_angle_gamma 90.00494000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.31945133\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61265236 0.66776649 0.62468651 1\n C C1 1 0.40291564 0.59866429 0.20603716 1\n C C2 1 0.56990991 0.98683469 0.54084719 1\n C C3 1 0.77955207 1.05832458 0.95864570 1\n C C4 1 0.23686791 0.21101536 -0.12462860 1\n C C5 1 0.06989909 0.48682513 0.54081460 1\n C C6 1 0.73673182 0.71099774 0.87534376 1\n C C7 1 0.90291838 0.09864061 0.20603844 1\n C C8 1 0.27943588 0.55834761 -0.04135128 1\n C C9 1 0.11267777 0.16778397 0.62470949 1\n C C10 1 0.44585393 -0.05449447 0.28998078 1\n C C11 1 0.94585234 0.44549288 0.28994545 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43009000\n_cell_length_b 2.43004000\n_cell_length_c 8.70621000\n_cell_angle_alpha 82.98464000\n_cell_angle_beta 76.17710000\n_cell_angle_gamma 59.97632000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.22414638\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14520902 0.63696812 0.62111335 1\n C C1 1 0.47724220 0.97077936 0.62198837 1\n C C2 1 0.19808555 0.01746834 -0.05045688 1\n C C3 1 0.22284379 0.23051260 0.29153605 1\n C C4 1 0.55504482 0.56364575 0.29220596 1\n C C5 1 0.53093702 0.35041923 -0.04974215 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48354000\n_cell_length_b 3.82236000\n_cell_length_c 5.77035000\n_cell_angle_alpha 89.65280000\n_cell_angle_beta 64.61497000\n_cell_angle_gamma 70.94348000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.19802138\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38997548 0.59222493 0.33753003 1\n C C1 1 0.09065656 0.84879233 1.00909658 1\n C C2 1 0.43185424 0.73885814 0.72260162 1\n C C3 1 1.10187322 0.49916072 0.17238979 1\n C C4 1 0.42013003 1.08844773 0.55923870 1\n C C5 1 1.13137381 -0.00474110 0.39419762 1\n C C6 1 0.14799415 0.51672785 0.61744412 1\n C C7 1 0.37339081 0.07157231 0.11448135 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26721000\n_cell_length_b 3.27547000\n_cell_length_c 3.62614000\n_cell_angle_alpha 104.39667000\n_cell_angle_beta 75.64561000\n_cell_angle_gamma 99.11330000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.21959175\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57798180 0.05140533 0.26981298 1\n C C1 1 0.16093506 0.42239296 0.88830094 1\n C C2 1 0.84527377 1.10489261 0.88868488 1\n C C3 1 0.78968378 0.83881971 0.50768782 1\n C C4 1 0.42854301 0.47716210 0.50703521 1\n C C5 1 0.21641046 0.69118259 0.26921627 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.09895000\n_cell_length_b 4.69076000\n_cell_length_c 6.41460000\n_cell_angle_alpha 74.01996000\n_cell_angle_beta 82.94534000\n_cell_angle_gamma 74.02809000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.06988741\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11654512 0.49742174 0.84042541 1\n C C1 1 0.44918471 0.16402839 0.17372507 1\n C C2 1 0.83705787 0.77449445 0.72986565 1\n C C3 1 0.33945374 0.27467863 0.72994759 1\n C C4 1 0.78233462 0.83054368 0.50755714 1\n C C5 1 0.50377577 1.10822085 0.39603679 1\n C C6 1 0.67320159 0.94168243 0.06289184 1\n C C7 1 1.00642164 0.60840092 0.39614828 1\n C C8 1 0.62028690 0.99796097 0.84039747 1\n C C9 1 0.28647265 0.33115507 0.50747445 1\n C C10 1 0.17075837 0.44145899 0.06272387 1\n C C11 1 -0.04584157 0.66482459 0.17356073 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42757000\n_cell_length_b 6.67819000\n_cell_length_c 5.91160000\n_cell_angle_alpha 82.83773000\n_cell_angle_beta 109.46933000\n_cell_angle_gamma 103.36223000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.79271818\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31489704 0.19441034 0.45601176 1\n C C1 1 0.53847089 0.47261006 0.90085837 1\n C C2 1 0.53882969 0.97306223 0.90105431 1\n C C3 1 0.98184290 1.02805041 0.78951137 1\n C C4 1 0.31531344 0.69485260 0.45624989 1\n C C5 1 0.98168203 0.52781917 0.78942714 1\n C C6 1 1.20561158 0.80652085 0.23445059 1\n C C7 1 -0.12779862 0.63971892 0.56775993 1\n C C8 1 0.64865054 0.86155312 0.12291706 1\n C C9 1 0.20510451 0.30592358 0.23414319 1\n C C10 1 0.64811652 0.36091877 0.12261497 1\n C C11 1 -0.12804792 0.13947995 0.56759372 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48480000\n_cell_length_b 4.08671000\n_cell_length_c 4.67875000\n_cell_angle_alpha 96.65915000\n_cell_angle_beta 74.61405000\n_cell_angle_gamma 89.97885000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.47522991\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35625546 0.47612527 0.27272639 1\n C C1 1 0.52528541 0.54426679 0.93220955 1\n C C2 1 0.01132119 0.07052698 0.96105302 1\n C C3 1 1.06680530 0.71509526 0.84695613 1\n C C4 1 0.73791393 0.00878615 0.50264139 1\n C C5 1 0.58308605 0.18853981 0.81627582 1\n C C6 1 0.23641323 0.78207567 0.50525961 1\n C C7 1 0.85524184 0.25039598 0.27473029 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51800000\n_cell_length_b 4.20940000\n_cell_length_c 4.20988000\n_cell_angle_alpha 119.96299000\n_cell_angle_beta 90.55253000\n_cell_angle_gamma 89.80536000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.65603784\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46478890 0.87707062 0.66517000 1\n C C1 1 0.46468485 0.87695652 0.33174348 1\n C C2 1 0.46478494 0.21040838 0.33183597 1\n C C3 1 0.46469649 0.21028254 0.99841319 1\n C C4 1 0.46479657 0.54373440 -0.00149433 1\n C C5 1 0.46469252 0.54362030 0.66507916 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44143000\n_cell_length_b 4.57189000\n_cell_length_c 5.88524000\n_cell_angle_alpha 77.91374000\n_cell_angle_beta 101.98152000\n_cell_angle_gamma 74.52530000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.43752560\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70811377 0.23642128 0.95716615 1\n C C1 1 0.86942536 0.66630442 0.70892184 1\n C C2 1 0.78627097 0.46541675 0.34004045 1\n C C3 1 -0.05811144 0.92059844 0.10582023 1\n C C4 1 0.64795576 0.47842316 0.07974555 1\n C C5 1 0.62236423 0.95346653 0.50104983 1\n C C6 1 0.56905398 0.83750950 0.27993225 1\n C C7 1 1.00028243 0.67106766 -0.02405090 1\n C C8 1 0.43415658 0.31154024 0.48161383 1\n C C9 1 0.48027676 0.43884253 0.70538136 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47066000\n_cell_length_b 3.76660000\n_cell_length_c 8.08905000\n_cell_angle_alpha 115.39339000\n_cell_angle_beta 98.75212000\n_cell_angle_gamma 89.98731000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.03339121\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40117720 -0.25382856 0.32521905 1\n C C1 1 0.95845427 0.35848307 0.43939564 1\n C C2 1 0.95779150 0.74453178 0.43823838 1\n C C3 1 0.12703381 -0.14284010 0.76821884 1\n C C4 1 0.32967189 0.30683980 0.17492205 1\n C C5 1 0.68525005 0.97597774 0.88312647 1\n C C6 1 0.05499928 0.04523651 0.63339363 1\n C C7 1 0.40248952 0.14811867 0.32713140 1\n C C8 1 0.77601256 1.19233560 0.06511840 1\n C C9 1 1.05591812 0.41936658 0.63500794 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45363000\n_cell_length_b 7.23976000\n_cell_length_c 7.34031000\n_cell_angle_alpha 55.82075000\n_cell_angle_beta 80.37562000\n_cell_angle_gamma 80.23322000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 105.89291389\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82867585 0.85937794 0.57365174 1\n C C1 1 0.16182469 0.54911329 0.21907078 1\n C C2 1 0.49205037 0.70073696 0.40528862 1\n C C3 1 0.32386951 0.15856165 0.27800457 1\n C C4 1 0.27767776 0.42138325 0.11412658 1\n C C5 1 0.60968893 0.59903533 1.27462092 1\n C C6 1 0.94158415 0.24302562 -0.03550911 1\n C C7 1 0.49197331 0.27676660 0.82918909 1\n C C8 1 1.16178074 0.09852976 0.66919517 1\n C C9 1 0.44402047 0.53957561 0.66538010 1\n C C10 1 0.27778838 -0.00272769 0.53824901 1\n C C11 1 0.94118047 0.83875320 0.36967090 1\n C C12 1 0.60962063 0.14859820 0.72462904 1\n C C13 1 -0.10446419 0.08452775 0.20797201 1\n C C14 1 0.82803481 0.45503458 -0.02115917 1\n C C15 1 0.87158761 0.61366955 0.73540313 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45101000\n_cell_length_b 5.68548000\n_cell_length_c 4.38532000\n_cell_angle_alpha 97.55443000\n_cell_angle_beta 106.23297000\n_cell_angle_gamma 90.01856000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.12048403\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09472130 0.30463833 1.09331529 1\n C C1 1 0.02338340 0.53889939 0.95026539 1\n C C2 1 0.53305373 0.15801934 0.97023376 1\n C C3 1 0.60980696 -0.05674500 0.12335022 1\n C C4 1 0.28160585 0.34527595 0.46691734 1\n C C5 1 0.78732647 -0.02742908 0.47975330 1\n C C6 1 0.58750813 0.67752945 0.07909279 1\n C C7 1 0.84291166 0.49093945 0.58943751 1\n C C8 1 0.76644075 0.70662754 0.43596388 1\n C C9 1 0.35235625 0.11111673 0.60897504 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.19543000\n_cell_length_b 4.66786000\n_cell_length_c 4.66703000\n_cell_angle_alpha 76.32808000\n_cell_angle_beta 72.55265000\n_cell_angle_gamma 61.99754000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.25632522\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12213083 0.88019372 0.41283661 1\n C C1 1 0.88186323 0.40633023 0.69734858 1\n C C2 1 -0.12285996 0.59449105 0.88605618 1\n C C3 1 -0.12530625 0.88603248 0.72515937 1\n C C4 1 -0.12221915 0.56801914 0.40807026 1\n C C5 1 0.88468969 0.11469177 -0.14198926 1\n C C6 1 0.88149659 0.12045290 0.17030780 1\n C C7 1 0.88066329 0.43260851 0.17539596 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47819000\n_cell_length_b 2.47857000\n_cell_length_c 6.31126000\n_cell_angle_alpha 90.00114000\n_cell_angle_beta 101.27885000\n_cell_angle_gamma 120.03529000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.69268489\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33892262 0.19053538 -0.04812874 1\n C C1 1 -0.21885273 0.40827154 0.61717747 1\n C C2 1 0.50288107 0.27226604 0.19955406 1\n C C3 1 0.05857875 1.04690481 0.53362607 1\n C C4 1 0.89115380 -0.03449398 0.28283753 1\n C C5 1 0.94991319 0.49513942 0.86818341 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.72012000\n_cell_length_b 4.45937000\n_cell_length_c 4.80260000\n_cell_angle_alpha 73.68669000\n_cell_angle_beta 70.15363000\n_cell_angle_gamma 77.65258000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.30098958\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08130301 0.64447559 0.51887587 1\n C C1 1 0.66023490 0.67615478 0.53309206 1\n C C2 1 0.63753747 0.67360466 0.04552585 1\n C C3 1 0.43594618 0.82038086 0.31181468 1\n C C4 1 0.11761969 0.28401504 0.52362929 1\n C C5 1 0.36185875 0.17455324 0.24071141 1\n C C6 1 0.07166515 0.63870991 0.85867076 1\n C C7 1 0.13976752 0.28653927 0.01205279 1\n C C8 1 0.69632174 0.31550501 0.53836220 1\n C C9 1 0.41607286 0.78566365 0.81602574 1\n C C10 1 0.70609511 0.32156455 0.19802907 1\n C C11 1 0.34164173 0.13969451 0.74538236 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52251000\n_cell_length_b 5.41811000\n_cell_length_c 6.93476000\n_cell_angle_alpha 61.64426000\n_cell_angle_beta 111.26412000\n_cell_angle_gamma 117.85755000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.52467085\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06764410 0.62010169 0.93565779 1\n C C1 1 0.43830381 0.11453232 -0.05280643 1\n C C2 1 0.54161443 0.66296775 0.50019720 1\n C C3 1 0.76055429 0.30573298 1.07871930 1\n C C4 1 0.96194463 0.28738664 0.29565156 1\n C C5 1 0.85713159 0.19682838 0.78263772 1\n C C6 1 0.26588570 0.59250167 0.29570421 1\n C C7 1 1.04942054 0.52974623 0.64179646 1\n C C8 1 0.24708419 0.79155729 1.07881803 1\n C C9 1 0.36398068 0.68958564 0.79694244 1\n C C10 1 0.89263769 0.01262734 0.50017929 1\n C C11 1 0.52563208 0.00473556 0.64170113 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44664000\n_cell_length_b 3.64379000\n_cell_length_c 7.95512000\n_cell_angle_alpha 94.53243000\n_cell_angle_beta 98.68262000\n_cell_angle_gamma 70.54527000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.07323701\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21337333 0.40870457 0.41349705 1\n C C1 1 0.76417782 0.06607924 0.16708927 1\n C C2 1 0.81074973 0.64898069 0.85684761 1\n C C3 1 0.27467016 -0.03350432 0.09136519 1\n C C4 1 0.78366629 0.20217302 0.34623611 1\n C C5 1 1.02290401 0.83253923 0.45586005 1\n C C6 1 0.36435348 0.30100631 0.61111664 1\n C C7 1 0.55563811 0.87653905 0.56826169 1\n C C8 1 0.29907477 0.75080534 0.93208822 1\n C C9 1 0.79405029 0.50764049 0.67825646 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46072000\n_cell_length_b 3.39581000\n_cell_length_c 6.04013000\n_cell_angle_alpha 109.56600000\n_cell_angle_beta 78.25139000\n_cell_angle_gamma 68.73476000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17063236\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02135511 0.53645691 0.99515300 1\n C C1 1 0.49036048 0.47075875 0.12199914 1\n C C2 1 1.26514456 0.32576601 0.71945918 1\n C C3 1 0.11969215 0.01605527 0.31723749 1\n C C4 1 0.64928277 1.08264874 0.19063337 1\n C C5 1 0.87750273 0.22674522 0.59274792 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46429000\n_cell_length_b 3.79380000\n_cell_length_c 8.51415000\n_cell_angle_alpha 109.00243000\n_cell_angle_beta 106.86191000\n_cell_angle_gamma 108.95741000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.82517957\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46113706 0.05772900 0.72015946 1\n C C1 1 0.50342530 0.26855770 0.15699625 1\n C C2 1 0.80554508 0.34843546 0.91957144 1\n C C3 1 0.45668904 0.62110779 0.43280462 1\n C C4 1 0.80044598 0.91148217 0.63226788 1\n C C5 1 0.76001256 0.70148735 0.19546372 1\n C C6 1 0.52006825 0.62661766 0.99426302 1\n C C7 1 0.74256226 0.34287864 0.35818371 1\n C C8 1 0.46789446 0.88213789 0.31310052 1\n C C9 1 -0.20539470 0.08739454 1.03913008 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46119000\n_cell_length_b 3.35592000\n_cell_length_c 4.48713000\n_cell_angle_alpha 68.02915000\n_cell_angle_beta 84.61382000\n_cell_angle_gamma 75.51748000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.27792741\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34160232 0.39388067 0.20471544 1\n C C1 1 0.84117274 0.73274712 0.52706951 1\n C C2 1 0.92277913 0.12066344 0.20464219 1\n C C3 1 1.13028431 0.87339003 -0.02820075 1\n C C4 1 0.42256176 0.45922016 0.52700833 1\n C C5 1 0.63034824 -0.02136923 0.76116377 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49080000\n_cell_length_b 3.59400000\n_cell_length_c 4.35185000\n_cell_angle_alpha 84.29348000\n_cell_angle_beta 73.38545000\n_cell_angle_gamma 69.67657000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00703627\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96130570 0.80025830 0.53619493 1\n C C1 1 0.14337933 0.05931237 0.91247825 1\n C C2 1 -0.14309890 0.42889792 0.11810221 1\n C C3 1 0.25014635 0.42919715 0.33057287 1\n C C4 1 0.33142384 0.05970881 0.53616924 1\n C C5 1 0.77422229 0.79979614 0.91228399 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47861000\n_cell_length_b 4.89122000\n_cell_length_c 3.68802000\n_cell_angle_alpha 92.96244000\n_cell_angle_beta 109.59972000\n_cell_angle_gamma 120.36854000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96892727\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.19474430 0.55953805 0.20909638 1\n C C1 1 0.02530731 0.13099901 0.72520936 1\n C C2 1 0.57767153 0.26225594 0.56864571 1\n C C3 1 0.07114413 0.63510193 0.81153002 1\n C C4 1 0.62378855 0.76600199 0.65456620 1\n C C5 1 0.45433869 0.33739838 0.17073034 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43259000\n_cell_length_b 4.00195000\n_cell_length_c 4.63554000\n_cell_angle_alpha 95.82494000\n_cell_angle_beta 105.77856000\n_cell_angle_gamma 90.32665000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.17668037\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61391778 -0.07246504 0.07801653 1\n C C1 1 0.28089603 0.59553638 0.41241906 1\n C C2 1 0.05905932 0.04017999 -0.03199818 1\n C C3 1 0.39295861 0.37572123 0.63621618 1\n C C4 1 0.72646693 0.70954551 0.30306936 1\n C C5 1 0.94784993 0.26308793 0.74618164 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32268000\n_cell_length_b 6.55657000\n_cell_length_c 3.32297000\n_cell_angle_alpha 124.06169000\n_cell_angle_beta 83.40900000\n_cell_angle_gamma 124.06617000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.54699385\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97338152 0.31856438 0.08484157 1\n C C1 1 0.53225172 0.15179451 0.64651732 1\n C C2 1 0.73926539 0.83550579 0.85336012 1\n C C3 1 0.32565785 0.31873256 0.73276392 1\n C C4 1 0.09400041 0.83567457 0.49917268 1\n C C5 1 0.30043226 0.66840051 0.41219390 1\n C C6 1 0.65288933 0.66868073 0.06035526 1\n C C7 1 0.88702042 0.15164395 0.29139482 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48579000\n_cell_length_b 4.00288000\n_cell_length_c 7.34056000\n_cell_angle_alpha 56.88530000\n_cell_angle_beta 99.73403000\n_cell_angle_gamma 90.00703000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.91911928\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10500371 0.48183641 0.93083148 1\n C C1 1 0.23602675 1.11490757 0.61302733 1\n C C2 1 1.01757670 0.74762180 0.17026342 1\n C C3 1 -0.10498697 1.11110405 -0.06942190 1\n C C4 1 0.66970857 0.24867690 0.47894638 1\n C C5 1 0.58183071 0.12945740 0.30035492 1\n C C6 1 0.34407064 0.71541619 0.82734711 1\n C C7 1 0.58167748 0.72421472 0.30010155 1\n C C8 1 1.01762435 0.36595345 0.17033880 1\n C C9 1 0.34425738 0.08445402 0.82742100 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47358000\n_cell_length_b 4.46767000\n_cell_length_c 4.91968000\n_cell_angle_alpha 92.10887000\n_cell_angle_beta 59.74963000\n_cell_angle_gamma 56.42532000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17210332\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55890373 0.46178143 0.83303674 1\n C C1 1 0.30222628 0.44222636 0.61024736 1\n C C2 1 0.01437241 0.00738247 0.33235950 1\n C C3 1 0.89359551 0.85049274 0.61026547 1\n C C4 1 0.84625108 0.89654540 0.11098569 1\n C C5 1 -0.03253541 1.05353611 0.83311745 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43023000\n_cell_length_b 3.90018000\n_cell_length_c 6.34266000\n_cell_angle_alpha 108.01202000\n_cell_angle_beta 91.43934000\n_cell_angle_gamma 92.34529000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.07853578\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34672526 0.17280743 0.76713860 1\n C C1 1 0.34672949 0.33715307 0.59975253 1\n C C2 1 0.84667325 1.08693071 0.84964998 1\n C C3 1 0.34652797 -0.16365437 0.09935285 1\n C C4 1 0.34661276 0.67219720 0.26684742 1\n C C5 1 0.84675715 0.42282639 0.51714269 1\n C C6 1 -0.15341411 0.58663128 0.34950858 1\n C C7 1 -0.15339097 -0.07760011 0.01692745 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.14514000\n_cell_length_b 3.41857000\n_cell_length_c 4.92701000\n_cell_angle_alpha 71.22406000\n_cell_angle_beta 65.08652000\n_cell_angle_gamma 52.67456000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.13899720\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60937284 0.70640762 0.44964158 1\n C C1 1 0.48980565 0.94812781 0.86343609 1\n C C2 1 0.48980565 0.44812781 0.36343609 1\n C C3 1 0.60937284 0.20640762 -0.05035842 1\n C C4 1 0.28162336 0.19803713 0.61345308 1\n C C5 1 0.81755513 0.45649831 0.69962460 1\n C C6 1 0.28162336 0.69803713 0.11345308 1\n C C7 1 0.81755513 0.95649831 0.19962460 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42691000\n_cell_length_b 7.61968000\n_cell_length_c 6.33691000\n_cell_angle_alpha 45.92897000\n_cell_angle_beta 100.96546000\n_cell_angle_gamma 90.10756000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.23146820\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55903760 0.88330176 0.88682717 1\n C C1 1 0.14791096 0.21559584 1.04914348 1\n C C2 1 0.89206467 0.66410581 0.54605932 1\n C C3 1 1.03412352 0.20121397 0.82282433 1\n C C4 1 -0.22540567 0.30803871 0.29867710 1\n C C5 1 1.07999999 0.95007142 0.92771908 1\n C C6 1 0.69292983 0.23897459 0.13717146 1\n C C7 1 0.37352494 0.59621431 0.50706235 1\n C C8 1 0.31779514 0.33131960 0.38684834 1\n C C9 1 0.43134773 0.34457092 0.61431880 1\n C C10 1 0.95550292 0.76008421 0.67313681 1\n C C11 1 0.49753728 0.78771384 0.75910446 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48094000\n_cell_length_b 3.68828000\n_cell_length_c 4.83673000\n_cell_angle_alpha 57.47430000\n_cell_angle_beta 75.08445000\n_cell_angle_gamma 70.32879000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97531650\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06072239 0.43251288 0.64849079 1\n C C1 1 0.48252183 0.71999437 0.51775347 1\n C C2 1 0.28529973 0.19316801 0.44166967 1\n C C3 1 0.03045075 0.13539285 0.01333166 1\n C C4 1 0.60874484 0.84804626 0.14392887 1\n C C5 1 0.80525306 0.37468243 0.22026284 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64935000\n_cell_length_b 3.43242000\n_cell_length_c 4.82415000\n_cell_angle_alpha 76.77857000\n_cell_angle_beta 112.28607000\n_cell_angle_gamma 129.42690000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18370119\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56537683 -0.10800134 0.21787627 1\n C C1 1 0.21900509 0.89368969 0.52317572 1\n C C2 1 0.94857237 0.89546172 0.21779781 1\n C C3 1 0.16048841 0.89481170 0.02337758 1\n C C4 1 1.00705095 0.89414838 0.71764731 1\n C C5 1 0.60204975 -0.10325315 0.52321291 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45481000\n_cell_length_b 4.25955000\n_cell_length_c 5.17004000\n_cell_angle_alpha 125.53733000\n_cell_angle_beta 89.58454000\n_cell_angle_gamma 90.91666000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.98479905\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83220356 0.80118485 0.69694813 1\n C C1 1 0.30832465 1.04967579 0.86126330 1\n C C2 1 0.65295721 0.12756836 0.33127429 1\n C C3 1 -0.01875217 0.63277856 0.34647866 1\n C C4 1 0.80490474 0.43526454 0.69628542 1\n C C5 1 0.15702272 0.21812827 0.21155743 1\n C C6 1 0.48530025 0.72338233 0.22697001 1\n C C7 1 0.33672963 0.41605041 0.86206427 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44431000\n_cell_length_b 6.93641000\n_cell_length_c 6.06918000\n_cell_angle_alpha 94.69460000\n_cell_angle_beta 89.47725000\n_cell_angle_gamma 110.62129000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 95.96381144\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70908083 0.86886513 0.61462269 1\n C C1 1 0.89328956 0.04367781 0.15144327 1\n C C2 1 0.86525009 0.51050082 0.24114284 1\n C C3 1 0.50042926 0.66141370 0.67272314 1\n C C4 1 0.67399705 0.82083244 0.16348940 1\n C C5 1 -0.03403729 0.12854273 0.95946348 1\n C C6 1 1.05450201 0.20514565 0.35723915 1\n C C7 1 0.30618514 -0.03474925 0.57882256 1\n C C8 1 0.26935034 0.41444009 0.27767469 1\n C C9 1 0.68052397 0.33811757 0.71872720 1\n C C10 1 -0.10169442 0.55953016 0.68717328 1\n C C11 1 1.07052292 0.71768394 0.17983131 1\n C C12 1 0.51860653 0.17238021 0.49620618 1\n C C13 1 0.11881662 0.27906199 0.83125161 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46340000\n_cell_length_b 4.44333000\n_cell_length_c 6.09502000\n_cell_angle_alpha 104.81733000\n_cell_angle_beta 96.88854000\n_cell_angle_gamma 95.88630000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.41027819\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93564181 0.56172297 0.87635951 1\n C C1 1 0.39946664 0.37871840 0.81194386 1\n C C2 1 0.41035249 0.03593390 0.81028709 1\n C C3 1 -0.07477616 0.90487859 0.87972972 1\n C C4 1 0.32556286 1.12790472 0.58875030 1\n C C5 1 0.43377560 0.53010290 0.32277381 1\n C C6 1 0.55320008 0.82087368 0.24070312 1\n C C7 1 0.00921766 -0.18977921 0.09942076 1\n C C8 1 0.78042221 0.11232198 0.44694663 1\n C C9 1 0.89729042 0.39792318 0.35751829 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48436000\n_cell_length_b 4.77407000\n_cell_length_c 4.99692000\n_cell_angle_alpha 96.62415000\n_cell_angle_beta 90.01720000\n_cell_angle_gamma 105.04137000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.82514134\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16864673 0.23467433 0.59316225 1\n C C1 1 -0.04790278 0.79919137 0.12942621 1\n C C2 1 0.44546728 0.78725981 0.65900039 1\n C C3 1 0.67353213 0.24520811 0.06163378 1\n C C4 1 -0.19153860 0.51801686 0.26729976 1\n C C5 1 0.97183291 0.84112220 0.83168433 1\n C C6 1 0.53998953 0.97563005 0.21677427 1\n C C7 1 0.58083756 1.05866677 0.50607872 1\n C C8 1 0.30702844 0.51494732 0.45304279 1\n C C9 1 0.14578811 0.19140188 -0.11012790 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51695000\n_cell_length_b 4.83547000\n_cell_length_c 3.51836000\n_cell_angle_alpha 43.29458000\n_cell_angle_beta 60.01367000\n_cell_angle_gamma 68.67084000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53866436\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25255257 0.08551393 0.36651892 1\n C C1 1 0.25218593 0.75188348 0.39565496 1\n C C2 1 0.71565608 0.58535336 0.33013332 1\n C C3 1 1.02070076 0.91872468 -0.00319371 1\n C C4 1 0.94804512 0.41855149 1.03314997 1\n C C5 1 0.71617184 0.25210107 0.96767474 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47589000\n_cell_length_b 4.86146000\n_cell_length_c 4.79424000\n_cell_angle_alpha 67.90780000\n_cell_angle_beta 90.00741000\n_cell_angle_gamma 120.62149000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.66679870\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62442536 0.63003699 0.81247933 1\n C C1 1 0.24953985 0.75555396 0.30113572 1\n C C2 1 0.99393238 0.00022658 0.81250204 1\n C C3 1 0.54670495 1.05278248 -0.03226150 1\n C C4 1 0.80254682 0.80842859 0.45573058 1\n C C5 1 -0.11983575 0.38618871 0.30119511 1\n C C6 1 -0.08340398 0.42236221 -0.03242694 1\n C C7 1 1.17268748 0.17881868 0.45559946 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48175000\n_cell_length_b 3.69008000\n_cell_length_c 4.84175000\n_cell_angle_alpha 122.62117000\n_cell_angle_beta 75.12494000\n_cell_angle_gamma 109.69104000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00380025\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40416952 0.56488257 0.30150465 1\n C C1 1 1.14679444 0.62124935 0.87274038 1\n C C2 1 0.82533337 0.27717335 0.17094783 1\n C C3 1 0.37140118 0.86050309 0.66632392 1\n C C4 1 0.94993088 0.14798705 0.79727778 1\n C C5 1 0.62731591 0.80393358 1.09475854 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47749000\n_cell_length_b 2.47753000\n_cell_length_c 6.31018000\n_cell_angle_alpha 101.33399000\n_cell_angle_beta 78.67483000\n_cell_angle_gamma 120.03528000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.65736650\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22439727 0.02440762 0.89455415 1\n C C1 1 1.00324059 0.24597229 0.56412465 1\n C C2 1 0.08716271 0.16138170 0.31324949 1\n C C3 1 0.44794124 0.80064623 0.22943447 1\n C C4 1 0.30832309 0.94103351 0.64712063 1\n C C5 1 0.52993750 0.71886695 0.97832471 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27860000\n_cell_length_b 3.26746000\n_cell_length_c 4.23804000\n_cell_angle_alpha 84.78380000\n_cell_angle_beta 56.01866000\n_cell_angle_gamma 99.16117000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25849204\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89282987 0.60484099 0.18546115 1\n C C1 1 0.64631057 0.18981942 0.80354478 1\n C C2 1 0.21062716 -0.07901316 0.18510140 1\n C C3 1 0.45696355 0.33840737 0.56697707 1\n C C4 1 0.00687516 0.55016138 0.80415460 1\n C C5 1 0.09613538 0.97656681 0.56686611 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.74945000\n_cell_length_b 2.93276000\n_cell_length_c 5.70223000\n_cell_angle_alpha 111.73098000\n_cell_angle_beta 90.04715000\n_cell_angle_gamma 91.63603000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.21879556\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08983201 0.19962955 0.30109449 1\n C C1 1 0.27059147 1.20133470 0.92098947 1\n C C2 1 0.27145435 0.19586596 0.68078069 1\n C C3 1 0.58547686 1.19580357 0.53178448 1\n C C4 1 0.45368468 0.20158219 0.30158648 1\n C C5 1 0.95858828 0.19648542 0.53132168 1\n C C6 1 0.95793465 0.20300271 1.07051483 1\n C C7 1 0.58481209 0.20241341 0.07081078 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45610000\n_cell_length_b 3.37450000\n_cell_length_c 5.90031000\n_cell_angle_alpha 63.70215000\n_cell_angle_beta 101.82254000\n_cell_angle_gamma 110.85392000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.90419846\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69748623 0.39880474 0.04569449 1\n C C1 1 0.20464118 0.28553787 0.17220078 1\n C C2 1 0.23056225 0.06786736 0.44778747 1\n C C3 1 0.06244884 0.53850325 0.64190621 1\n C C4 1 0.66279229 0.61288490 0.76997772 1\n C C5 1 0.83009292 0.14180049 0.57603623 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.12262000\n_cell_length_b 4.44272000\n_cell_length_c 3.63406000\n_cell_angle_alpha 81.06634000\n_cell_angle_beta 68.60663000\n_cell_angle_gamma 102.91557000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.16850806\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58073464 0.78690274 0.14940068 1\n C C1 1 1.27742344 0.47524389 0.18421545 1\n C C2 1 0.57949876 0.78517042 0.53168795 1\n C C3 1 0.27846822 0.47674861 0.80197171 1\n C C4 1 0.08740270 0.28539034 0.58672494 1\n C C5 1 0.77138625 0.97643160 0.74652618 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47776000\n_cell_length_b 2.47798000\n_cell_length_c 6.31054000\n_cell_angle_alpha 89.96271000\n_cell_angle_beta 101.32155000\n_cell_angle_gamma 120.03023000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67369969\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61842803 0.62419631 0.83562746 1\n C C1 1 0.45003483 0.54228566 0.58464393 1\n C C2 1 0.34126806 0.98491604 -0.08008208 1\n C C3 1 0.89627329 0.76460723 0.25449158 1\n C C4 1 1.06104509 0.84816908 0.50159992 1\n C C5 1 0.50773760 0.06946288 0.17103759 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48762000\n_cell_length_b 4.30481000\n_cell_length_c 3.51708000\n_cell_angle_alpha 114.09581000\n_cell_angle_beta 90.02450000\n_cell_angle_gamma 106.78166000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61441729\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97858413 0.39794407 0.85498634 1\n C C1 1 0.14531081 0.73108649 0.77131883 1\n C C2 1 0.64525079 0.73127741 0.52165300 1\n C C3 1 0.47864414 0.39775316 0.10465216 1\n C C4 1 0.81197747 0.06441983 0.43798550 1\n C C5 1 0.31191746 0.06461074 0.18831967 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48134000\n_cell_length_b 3.68938000\n_cell_length_c 4.84086000\n_cell_angle_alpha 111.49249000\n_cell_angle_beta 75.16368000\n_cell_angle_gamma 70.32303000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99698370\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56551426 0.70586584 0.47810673 1\n C C1 1 0.25110565 0.76231313 0.04983288 1\n C C2 1 0.54190097 0.05005221 0.18067958 1\n C C3 1 0.29053152 0.17927183 0.55403109 1\n C C4 1 0.26781379 0.52332228 0.25624495 1\n C C5 1 0.58162721 0.46690452 0.68485508 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.17144000\n_cell_length_b 2.43290000\n_cell_length_c 7.49896000\n_cell_angle_alpha 89.69032000\n_cell_angle_beta 84.92259000\n_cell_angle_gamma 90.79661000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.62655684\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.30322272 0.73694952 0.67149945 1\n C C1 1 1.14103606 0.73674998 0.50443983 1\n C C2 1 0.06102053 0.23677447 0.41987999 1\n C C3 1 -0.10298693 0.23668718 0.25311202 1\n C C4 1 0.38629671 0.23693513 0.75539616 1\n C C5 1 -0.35733763 0.73691665 1.00402703 1\n C C6 1 0.81475399 0.73672968 0.16906891 1\n C C7 1 0.55668466 0.23692670 0.92075241 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48395000\n_cell_length_b 3.82441000\n_cell_length_c 5.98085000\n_cell_angle_alpha 68.28443000\n_cell_angle_beta 101.97352000\n_cell_angle_gamma 71.02632000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31229869\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85008300 0.24280490 0.83117835 1\n C C1 1 0.78400739 0.81908608 0.27555082 1\n C C2 1 0.27903737 0.93536025 0.38187352 1\n C C3 1 -0.05923480 0.44792252 0.21872186 1\n C C4 1 0.46683711 0.17269444 0.99610215 1\n C C5 1 1.00761910 0.87134875 0.77484644 1\n C C6 1 0.32235222 0.51876763 1.05359599 1\n C C7 1 0.51298411 0.75534234 0.66849537 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49963000\n_cell_length_b 4.84149000\n_cell_length_c 4.25943000\n_cell_angle_alpha 68.63276000\n_cell_angle_beta 90.00097000\n_cell_angle_gamma 90.00729000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.00419583\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76755288 0.13257378 0.59786005 1\n C C1 1 0.26734596 0.76671137 0.45799887 1\n C C2 1 0.76735442 0.64110235 0.66258517 1\n C C3 1 0.26764705 0.18697196 1.03165920 1\n C C4 1 0.26753607 0.10614460 0.41361039 1\n C C5 1 0.76736619 0.82020210 -0.10742285 1\n C C6 1 0.76767884 0.31241772 0.82691686 1\n C C7 1 0.26733178 0.84723032 0.07627302 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50848000\n_cell_length_b 3.41784000\n_cell_length_c 6.35819000\n_cell_angle_alpha 98.01500000\n_cell_angle_beta 89.99525000\n_cell_angle_gamma 111.56408000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.12421889\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24246593 0.38159538 0.39700838 1\n C C1 1 0.40703343 0.70981294 0.23319116 1\n C C2 1 0.90484001 0.70819099 0.73329903 1\n C C3 1 0.80284452 0.50200250 0.12933122 1\n C C4 1 0.30114459 0.50082338 0.62935934 1\n C C5 1 0.13709774 0.17256365 0.79351015 1\n C C6 1 0.63856548 0.17415850 0.29339916 1\n C C7 1 0.74144979 0.38043426 0.89705555 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48313000\n_cell_length_b 4.82424000\n_cell_length_c 5.74741000\n_cell_angle_alpha 90.00261000\n_cell_angle_beta 102.51059000\n_cell_angle_gamma 89.98795000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.21469644\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79571953 0.56753869 1.04005643 1\n C C1 1 0.53538996 0.60307621 0.51251434 1\n C C2 1 0.88537497 0.33546936 0.21981038 1\n C C3 1 1.10928771 0.00637603 0.65976761 1\n C C4 1 0.22112302 0.16462008 0.89155381 1\n C C5 1 0.10927345 0.66477686 0.65985650 1\n C C6 1 0.79571944 0.10308758 0.03992879 1\n C C7 1 -0.13330417 0.83548511 0.17654023 1\n C C8 1 0.44532502 0.83546832 0.33228765 1\n C C9 1 0.53533980 0.06747017 0.51242012 1\n C C10 1 0.22113374 0.50657440 0.89165281 1\n C C11 1 0.46447014 0.33543038 0.37628104 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.27093000\n_cell_length_b 3.84796000\n_cell_length_c 5.41732000\n_cell_angle_alpha 119.75835000\n_cell_angle_beta 104.58252000\n_cell_angle_gamma 94.75597000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.47391859\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55281245 0.06352871 0.45674325 1\n C C1 1 0.03741862 0.82174018 0.70041977 1\n C C2 1 0.44187913 0.37960106 0.66125012 1\n C C3 1 0.55456393 0.58396121 0.97518155 1\n C C4 1 0.18443966 0.50561458 0.53376269 1\n C C5 1 0.79656864 0.55408381 0.18987228 1\n C C6 1 0.40676418 0.89927328 0.14175033 1\n C C7 1 0.79637180 0.85345543 0.48667367 1\n C C8 1 1.14893782 1.02516469 0.01428364 1\n C C9 1 0.03851076 0.34161594 0.21887920 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53203000\n_cell_length_b 2.45550000\n_cell_length_c 6.39751000\n_cell_angle_alpha 90.89272000\n_cell_angle_beta 82.46007000\n_cell_angle_gamma 92.50752000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.39225988\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82827524 0.81407695 0.27158809 1\n C C1 1 -0.07402935 0.81440508 0.04088858 1\n C C2 1 0.62914817 0.31994691 0.59963221 1\n C C3 1 0.76471038 0.31590284 0.37853405 1\n C C4 1 0.56284357 0.82146677 0.70568606 1\n C C5 1 0.45978300 0.81866256 0.93663592 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45260000\n_cell_length_b 4.56380000\n_cell_length_c 5.81974000\n_cell_angle_alpha 126.89768000\n_cell_angle_beta 101.78365000\n_cell_angle_gamma 105.96179000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.92929078\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27093841 0.86699894 0.55580469 1\n C C1 1 0.21640994 0.24774573 1.06550963 1\n C C2 1 0.31139367 1.07602178 0.43229705 1\n C C3 1 -0.12415768 0.37762876 0.25638486 1\n C C4 1 0.93061945 0.99712032 0.74674470 1\n C C5 1 0.83197951 0.16775247 0.37924916 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47360000\n_cell_length_b 5.32034000\n_cell_length_c 7.08282000\n_cell_angle_alpha 84.36409000\n_cell_angle_beta 90.07701000\n_cell_angle_gamma 89.96530000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.76199964\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27262019 0.56876332 0.17663523 1\n C C1 1 0.27035203 0.73261557 0.97899068 1\n C C2 1 0.27199341 0.31660892 0.11601240 1\n C C3 1 0.77076893 0.13590272 0.87133191 1\n C C4 1 0.27239311 0.65771403 0.60785767 1\n C C5 1 0.77003203 0.89520518 0.99742403 1\n C C6 1 0.27102625 0.08563294 0.24331728 1\n C C7 1 0.27109674 0.15499251 0.43625217 1\n C C8 1 0.77124782 0.93447787 0.20652241 1\n C C9 1 0.27143224 0.56208460 0.82039580 1\n C C10 1 0.77227656 0.56584423 0.50278336 1\n C C11 1 0.77275813 0.65504423 0.28472782 1\n C C12 1 0.77201494 1.06779328 0.67792219 1\n C C13 1 1.27080703 0.29399441 0.91028541 1\n C C14 1 -0.22861103 0.27804194 0.50779629 1\n C C15 1 0.27208062 0.94491676 0.60540372 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46793000\n_cell_length_b 3.78428000\n_cell_length_c 5.12046000\n_cell_angle_alpha 90.02491000\n_cell_angle_beta 90.02534000\n_cell_angle_gamma 90.06581000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.82166662\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25956590 0.69265555 0.49785128 1\n C C1 1 0.75882002 0.37856637 0.13935812 1\n C C2 1 0.75874917 0.67827119 0.93252852 1\n C C3 1 0.75807155 0.07900019 0.93239855 1\n C C4 1 0.25926821 0.37869557 0.31158642 1\n C C5 1 1.25884986 0.06552419 0.49779981 1\n C C6 1 0.25850915 0.57250038 0.77296927 1\n C C7 1 0.25793674 0.18500887 0.77292394 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39317000\n_cell_length_b 3.32987000\n_cell_length_c 5.72917000\n_cell_angle_alpha 88.70748000\n_cell_angle_beta 107.20073000\n_cell_angle_gamma 94.58413000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.63977497\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66996331 0.23767774 0.18427095 1\n C C1 1 -0.07331283 0.06795743 0.03749456 1\n C C2 1 0.57284158 0.90328895 0.62398302 1\n C C3 1 0.32996018 0.89830417 0.18410492 1\n C C4 1 0.86960245 0.22855615 0.62400343 1\n C C5 1 0.69182440 0.73383289 0.87531866 1\n C C6 1 1.00110659 0.39992064 0.87516643 1\n C C7 1 0.28021530 0.71871044 0.41919668 1\n C C8 1 0.41780187 0.56837968 1.01863352 1\n C C9 1 0.95679276 0.41438751 0.41934672 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.69527000\n_cell_length_b 4.80962000\n_cell_length_c 4.23923000\n_cell_angle_alpha 109.63468000\n_cell_angle_beta 121.57694000\n_cell_angle_gamma 88.81378000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.26196032\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07026384 0.78159730 0.74833815 1\n C C1 1 1.01286248 0.28277376 0.69052425 1\n C C2 1 0.85850285 0.97364366 0.53545930 1\n C C3 1 0.45248574 0.78122019 1.13059193 1\n C C4 1 0.80160246 0.47485282 0.47756671 1\n C C5 1 0.41923962 0.47505687 0.09524326 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45823000\n_cell_length_b 4.44124000\n_cell_length_c 6.43542000\n_cell_angle_alpha 104.21987000\n_cell_angle_beta 101.02322000\n_cell_angle_gamma 105.55772000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 63.07577883\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64287841 0.67844323 0.80516272 1\n C C1 1 0.74069686 0.66020574 1.01371231 1\n C C2 1 0.21028451 0.06650860 0.54743959 1\n C C3 1 0.80611885 0.22280339 0.58721057 1\n C C4 1 0.37617997 0.61152519 0.32924481 1\n C C5 1 0.28304928 0.63388747 0.12185060 1\n C C6 1 -0.01564785 0.69750736 0.46254672 1\n C C7 1 1.03457058 0.59189622 0.67203866 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42812000\n_cell_length_b 5.40993000\n_cell_length_c 5.36421000\n_cell_angle_alpha 73.47801000\n_cell_angle_beta 89.95614000\n_cell_angle_gamma 77.18168000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.72449047\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46083591 0.24878022 0.36964268 1\n C C1 1 1.19201489 0.79741001 0.78086683 1\n C C2 1 -0.07152499 0.31769763 0.96477456 1\n C C3 1 0.68754148 0.80602334 0.91083678 1\n C C4 1 0.27962784 0.61802446 0.60349213 1\n C C5 1 0.21744569 0.73825207 0.31606826 1\n C C6 1 -0.04299560 0.25659721 0.50016778 1\n C C7 1 0.69614558 0.78215142 0.18134795 1\n C C8 1 0.86964614 0.43535407 0.67824826 1\n C C9 1 0.44936516 0.27563838 0.09857726 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64712000\n_cell_length_b 4.31449000\n_cell_length_c 3.39544000\n_cell_angle_alpha 64.79848000\n_cell_angle_beta 73.15173000\n_cell_angle_gamma 63.04658000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.78024303\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65413073 0.98025092 0.22988573 1\n C C1 1 0.98789894 0.31394620 0.56438005 1\n C C2 1 0.98703637 0.64676000 0.23049639 1\n C C3 1 0.32114433 0.64684348 0.89802348 1\n C C4 1 0.65440797 0.31390144 -0.10125762 1\n C C5 1 0.32103265 0.98006546 0.56508587 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46321000\n_cell_length_b 3.38889000\n_cell_length_c 5.83479000\n_cell_angle_alpha 84.10672000\n_cell_angle_beta 114.97691000\n_cell_angle_gamma 111.28003000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.06696980\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92339738 0.11144952 0.32775340 1\n C C1 1 0.59715416 0.40334992 0.85501643 1\n C C2 1 -0.09478238 0.47099967 0.13030983 1\n C C3 1 -0.37584036 0.65812571 0.25606438 1\n C C4 1 0.95395124 0.36910191 0.72878575 1\n C C5 1 0.64237927 0.29927786 0.45342002 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.71592000\n_cell_length_b 3.04966000\n_cell_length_c 4.25500000\n_cell_angle_alpha 73.11192000\n_cell_angle_beta 83.18555000\n_cell_angle_gamma 74.22267000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.29773542\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84908013 0.35120378 0.16771027 1\n C C1 1 0.11120555 0.29744467 0.32941246 1\n C C2 1 0.62600526 0.92040989 0.66680561 1\n C C3 1 0.36976955 0.18878885 0.15413456 1\n C C4 1 0.63329428 0.13414121 0.31555346 1\n C C5 1 0.36773448 0.14240603 0.82957136 1\n C C6 1 0.85474923 0.56699236 0.81686555 1\n C C7 1 0.11199641 0.34637761 0.65305632 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42916000\n_cell_length_b 4.37406000\n_cell_length_c 6.88205000\n_cell_angle_alpha 104.39576000\n_cell_angle_beta 90.95030000\n_cell_angle_gamma 55.51564000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.67153343\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20769400 1.06583755 0.10538903 1\n C C1 1 0.54041203 0.23245882 0.18851310 1\n C C2 1 0.20770412 0.56584029 0.85538730 1\n C C3 1 0.20775267 0.56577945 0.35544029 1\n C C4 1 0.54040005 0.23245913 0.68850947 1\n C C5 1 0.54044625 0.73242399 0.43854336 1\n C C6 1 0.54037333 0.73251140 0.93847195 1\n C C7 1 1.20771985 0.06579727 0.60542591 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48805000\n_cell_length_b 4.30365000\n_cell_length_c 4.30351000\n_cell_angle_alpha 80.41085000\n_cell_angle_beta 106.78900000\n_cell_angle_gamma 89.99850000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.44346824\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40877569 0.67798126 0.75055991 1\n C C1 1 1.09687805 1.11518428 1.12567585 1\n C C2 1 0.84699985 0.86516409 0.62568115 1\n C C3 1 0.90877569 0.17798126 0.75055991 1\n C C4 1 0.15865388 0.42800145 0.25055461 1\n C C5 1 0.34699985 0.36516409 0.62568115 1\n C C6 1 0.59687805 0.61518428 0.12567585 1\n C C7 1 0.65865388 0.92800145 0.25055461 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20707000\n_cell_length_b 3.89008000\n_cell_length_c 3.92641000\n_cell_angle_alpha 76.80079000\n_cell_angle_beta 111.08319000\n_cell_angle_gamma 111.26772000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.51911495\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12676000 0.30904785 0.26669479 1\n C C1 1 0.37330304 0.05910066 0.51684010 1\n C C2 1 0.04233466 0.06324232 0.52069019 1\n C C3 1 0.54221536 0.81300935 0.77056832 1\n C C4 1 1.04230101 0.56319848 1.02064654 1\n C C5 1 0.87321346 0.80901527 0.76665887 1\n C C6 1 0.37326796 0.55904813 1.01679551 1\n C C7 1 0.54224532 0.31304844 0.27060539 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48455000\n_cell_length_b 4.67570000\n_cell_length_c 4.08750000\n_cell_angle_alpha 96.70053000\n_cell_angle_beta 90.00173000\n_cell_angle_gamma 74.61096000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44558624\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61501068 0.42509764 0.53876726 1\n C C1 1 0.34482105 0.96640631 0.47693990 1\n C C2 1 0.99847380 0.65347355 1.07144435 1\n C C3 1 1.11594741 0.42272670 0.76541671 1\n C C4 1 0.49975903 0.65161637 0.29657509 1\n C C5 1 0.82826407 0.99458596 1.00298697 1\n C C6 1 0.77316732 0.11030703 0.35882955 1\n C C7 1 0.28596665 0.08067674 0.83244237 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43219000\n_cell_length_b 3.98849000\n_cell_length_c 5.61811000\n_cell_angle_alpha 82.73270000\n_cell_angle_beta 104.64660000\n_cell_angle_gamma 124.30330000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.54883136\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35810364 0.43637466 0.95491951 1\n C C1 1 0.35881527 0.10224108 0.62199273 1\n C C2 1 0.69412953 0.99316233 0.50969989 1\n C C3 1 0.69451672 0.66087465 0.17594503 1\n C C4 1 0.69331831 0.32704989 0.84284424 1\n C C5 1 0.35917103 0.77006858 0.28815301 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46182000\n_cell_length_b 5.85484000\n_cell_length_c 5.54701000\n_cell_angle_alpha 119.12847000\n_cell_angle_beta 77.21020000\n_cell_angle_gamma 77.88084000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.19381790\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05446056 0.41018486 0.18757501 1\n C C1 1 0.60045282 0.00823319 0.50322659 1\n C C2 1 0.97373334 0.92381138 0.83452669 1\n C C3 1 0.54622640 0.19110681 0.42550784 1\n C C4 1 0.16132874 0.87262842 0.51546143 1\n C C5 1 0.06515814 0.24870050 0.32896318 1\n C C6 1 0.31180923 0.09554442 0.98666376 1\n C C7 1 0.46549642 0.56607212 0.21035537 1\n C C8 1 1.04797292 0.70248039 -0.09187373 1\n C C9 1 0.54486751 0.63720562 -0.01975254 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50068000\n_cell_length_b 4.68594000\n_cell_length_c 6.35241000\n_cell_angle_alpha 70.71017000\n_cell_angle_beta 89.05245000\n_cell_angle_gamma 77.46213000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.46023309\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06334978 0.92441467 0.59828669 1\n C C1 1 0.32311812 0.38483107 0.64594915 1\n C C2 1 0.87404208 0.17563531 0.70999801 1\n C C3 1 0.76396020 0.24306851 0.09563180 1\n C C4 1 0.24268066 0.22727190 0.24188471 1\n C C5 1 0.68833636 0.56077169 0.92093756 1\n C C6 1 0.39505093 0.93419138 0.45031860 1\n C C7 1 0.85821381 0.03459478 0.96113074 1\n C C8 1 0.77678694 0.75196340 0.05262654 1\n C C9 1 0.15914268 0.60553261 0.77601132 1\n C C10 1 -0.04558521 0.55601016 0.28666484 1\n C C11 1 0.41441721 0.60860231 0.40835455 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44243000\n_cell_length_b 4.16579000\n_cell_length_c 7.07172000\n_cell_angle_alpha 84.30878000\n_cell_angle_beta 69.93749000\n_cell_angle_gamma 90.06763000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.20528443\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61012536 0.99705992 0.67930410 1\n C C1 1 0.18933341 0.83644075 1.10135784 1\n C C2 1 0.67186006 0.67900404 0.11884558 1\n C C3 1 0.02592217 0.48267969 0.76270218 1\n C C4 1 0.82211172 0.15427486 0.46526084 1\n C C5 1 0.07981077 0.80022948 0.70931233 1\n C C6 1 0.63927582 0.32350742 0.14752668 1\n C C7 1 0.47375822 0.29307548 0.81408512 1\n C C8 1 0.41782982 0.21630991 0.36955552 1\n C C9 1 0.23528275 0.18941245 0.05106332 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28708000\n_cell_length_b 3.28906000\n_cell_length_c 4.79997000\n_cell_angle_alpha 107.29814000\n_cell_angle_beta 106.93272000\n_cell_angle_gamma 98.14130000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.89585233\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20032092 1.03023935 0.20646907 1\n C C1 1 0.20049214 0.53012909 0.70646656 1\n C C2 1 0.56064718 0.84952396 0.38689790 1\n C C3 1 0.56061449 0.39120066 0.20648255 1\n C C4 1 0.56080403 0.89113554 0.70646655 1\n C C5 1 0.92155125 0.71071392 0.88701798 1\n C C6 1 0.92134245 0.21071228 0.38701158 1\n C C7 1 0.56082575 0.34945890 -0.11306079 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49061000\n_cell_length_b 4.06006000\n_cell_length_c 7.86821000\n_cell_angle_alpha 80.21919000\n_cell_angle_beta 90.01066000\n_cell_angle_gamma 90.00236000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.40707507\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49568882 0.35831475 0.43975356 1\n C C1 1 -0.00621875 0.26260469 0.82887473 1\n C C2 1 0.49574370 0.99341881 0.48813483 1\n C C3 1 -0.00427536 -0.13323767 0.41112888 1\n C C4 1 0.99568673 0.51352862 0.49603535 1\n C C5 1 0.99462770 0.29420565 0.16642727 1\n C C6 1 0.99492035 -0.07012512 0.21465146 1\n C C7 1 0.49377073 0.71372769 0.97388179 1\n C C8 1 0.99468136 0.57539056 0.68144262 1\n C C9 1 0.49485668 0.42184003 0.24333425 1\n C C10 1 0.49474559 0.81118555 0.67846961 1\n C C11 1 0.99372379 0.47790326 0.97693525 1\n C C12 1 0.49378258 0.02685357 0.82695442 1\n C C13 1 0.49473248 0.77503798 0.15873008 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42881000\n_cell_length_b 5.66218000\n_cell_length_c 6.53507000\n_cell_angle_alpha 107.20139000\n_cell_angle_beta 89.40127000\n_cell_angle_gamma 91.36683000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.82776490\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35713145 0.80966062 0.35599638 1\n C C1 1 0.35616506 0.47571747 0.68935864 1\n C C2 1 0.35716306 1.03519400 0.79925018 1\n C C3 1 0.35671451 0.14526681 1.02186515 1\n C C4 1 -0.14314503 0.64433669 0.02226644 1\n C C5 1 0.85639711 0.53399322 0.79975297 1\n C C6 1 0.85722443 0.86765641 0.46633443 1\n C C7 1 0.35682330 0.70001369 0.13349057 1\n C C8 1 0.85622931 0.31096547 0.35605657 1\n C C9 1 0.85721711 0.97855416 0.68873514 1\n C C10 1 0.35602623 0.36610196 0.46669376 1\n C C11 1 -0.14333534 0.20232600 1.13317209 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46389000\n_cell_length_b 3.39243000\n_cell_length_c 5.28986000\n_cell_angle_alpha 86.23034000\n_cell_angle_beta 90.02445000\n_cell_angle_gamma 68.74219000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.10403106\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01085220 -0.06520723 0.67858558 1\n C C1 1 0.95643981 1.00250656 0.40279830 1\n C C2 1 0.53996021 0.83493134 0.08061554 1\n C C3 1 0.13451197 0.64542021 0.20606996 1\n C C4 1 0.50492813 0.90436220 0.80484363 1\n C C5 1 0.36233818 0.19137961 0.27704088 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48550000\n_cell_length_b 4.00410000\n_cell_length_c 6.15628000\n_cell_angle_alpha 90.34487000\n_cell_angle_beta 101.66099000\n_cell_angle_gamma 89.99733000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.00280055\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44121967 0.64505821 0.81501815 1\n C C1 1 0.55782724 0.77255215 1.05387068 1\n C C2 1 1.12341233 0.66796105 0.18403230 1\n C C3 1 0.12366143 0.26235633 0.18479596 1\n C C4 1 -0.11035216 0.14299152 0.71391974 1\n C C5 1 0.21383414 0.96589508 0.36308641 1\n C C6 1 0.55813453 0.15419410 0.05478956 1\n C C7 1 0.88854029 0.77429147 0.71120178 1\n C C8 1 0.44170331 0.27444697 0.81655831 1\n C C9 1 0.78199861 0.96406623 0.49770892 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46051000\n_cell_length_b 3.35678000\n_cell_length_c 4.48542000\n_cell_angle_alpha 68.04441000\n_cell_angle_beta 95.27591000\n_cell_angle_gamma 104.47702000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.26892924\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67989308 0.18273299 1.00442515 1\n C C1 1 0.38579753 0.76686738 0.56030052 1\n C C2 1 0.17996523 0.28766924 0.79375645 1\n C C3 1 0.46741947 0.70216742 0.23753521 1\n C C4 1 0.96721144 1.04020950 0.56054572 1\n C C5 1 0.88600616 0.42859007 0.23768616 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43795000\n_cell_length_b 3.48333000\n_cell_length_c 9.82061000\n_cell_angle_alpha 78.96836000\n_cell_angle_beta 82.82501000\n_cell_angle_gamma 69.53189000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.53682925\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22585657 0.56871265 0.97774165 1\n C C1 1 0.75941173 0.95598767 0.52901517 1\n C C2 1 0.34410375 0.48159668 0.83360293 1\n C C3 1 0.55958498 0.06261817 0.81763375 1\n C C4 1 0.17994921 0.89220523 0.75154322 1\n C C5 1 0.23265514 0.93787292 0.59920276 1\n C C6 1 1.00802306 0.70200943 0.27753072 1\n C C7 1 0.80366713 0.01034871 0.37847335 1\n C C8 1 0.38410797 0.15510834 0.07378384 1\n C C9 1 0.59344279 0.83771068 -0.02531905 1\n C C10 1 0.86178540 0.11036662 0.16360079 1\n C C11 1 0.65327637 0.41180939 0.27723407 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43106000\n_cell_length_b 4.20441000\n_cell_length_c 5.84975000\n_cell_angle_alpha 106.53045000\n_cell_angle_beta 94.13464000\n_cell_angle_gamma 90.09883000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.15540331\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53762285 0.10341496 0.26319876 1\n C C1 1 0.19437749 0.13984735 0.76208627 1\n C C2 1 0.69440694 0.63978684 0.76207552 1\n C C3 1 0.19410260 0.80645535 0.76068106 1\n C C4 1 0.53740077 0.77014531 0.26200253 1\n C C5 1 1.03734665 0.27014803 0.26202225 1\n C C6 1 1.03757987 0.60338077 0.26317846 1\n C C7 1 0.69413603 0.30648569 0.76068905 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.79813000\n_cell_length_b 4.78363000\n_cell_length_c 4.75375000\n_cell_angle_alpha 68.83880000\n_cell_angle_beta 71.43390000\n_cell_angle_gamma 97.20177000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.47922069\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28393968 0.80928036 0.68424020 1\n C C1 1 -0.05984209 0.76947489 0.34297908 1\n C C2 1 0.61741479 0.92212491 0.33733849 1\n C C3 1 0.96690879 0.61180301 0.67279734 1\n C C4 1 0.39384064 0.89066832 0.12242940 1\n C C5 1 0.30906266 0.15866169 0.61795570 1\n C C6 1 0.33381655 0.63801553 0.99954114 1\n C C7 1 0.98551138 0.31102550 0.61276884 1\n C C8 1 0.64169822 0.27136157 0.27139371 1\n C C9 1 0.59161279 0.44276163 0.95591390 1\n C C10 1 0.53169788 0.19003401 0.83308420 1\n C C11 1 0.95940411 0.46869878 0.28263890 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47244000\n_cell_length_b 3.23297000\n_cell_length_c 6.08959000\n_cell_angle_alpha 68.36585000\n_cell_angle_beta 101.70751000\n_cell_angle_gamma 67.47017000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.28912775\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69699448 0.66297230 0.26469940 1\n C C1 1 0.43596041 0.92802187 0.00861263 1\n C C2 1 0.74464569 0.93493593 0.63658678 1\n C C3 1 0.34948882 0.51068443 0.41758684 1\n C C4 1 0.78216962 0.08128587 0.85543848 1\n C C5 1 0.38422388 0.65693989 0.63683798 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31768000\n_cell_length_b 3.51590000\n_cell_length_c 3.51750000\n_cell_angle_alpha 60.00187000\n_cell_angle_beta 89.99624000\n_cell_angle_gamma 89.99713000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53398618\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08636937 0.59743050 0.48257605 1\n C C1 1 0.41847878 0.90219458 0.17853633 1\n C C2 1 0.58640342 1.13353395 0.41048816 1\n C C3 1 0.25273513 0.13394296 0.71457204 1\n C C4 1 -0.08142513 0.82895696 0.71454275 1\n C C5 1 0.75269602 0.59711146 0.17870077 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45691000\n_cell_length_b 3.66310000\n_cell_length_c 6.48371000\n_cell_angle_alpha 100.57705000\n_cell_angle_beta 79.07813000\n_cell_angle_gamma 70.36439000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.99992629\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01541066 0.55036016 0.67858811 1\n C C1 1 0.44941585 0.70867072 0.59231498 1\n C C2 1 0.58198558 0.67895948 0.35693147 1\n C C3 1 0.15505379 0.15489144 0.73153685 1\n C C4 1 0.56337426 0.19217653 0.87741435 1\n C C5 1 0.73729553 0.79561973 -0.07188922 1\n C C6 1 0.27275727 0.63845071 1.01535467 1\n C C7 1 1.13391617 0.67880302 0.25224028 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47985000\n_cell_length_b 6.53022000\n_cell_length_c 6.52775000\n_cell_angle_alpha 61.92899000\n_cell_angle_beta 79.03691000\n_cell_angle_gamma 79.04004000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.95268532\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64244312 0.45911527 0.81211841 1\n C C1 1 -0.01071817 0.81591170 0.76065122 1\n C C2 1 0.96724453 0.49782456 0.12715649 1\n C C3 1 0.54644971 0.13548494 0.33104828 1\n C C4 1 -0.03271740 0.18197444 0.44271949 1\n C C5 1 0.22146957 0.78894217 0.32438885 1\n C C6 1 0.87623904 0.43148835 0.37679078 1\n C C7 1 0.56748585 0.73792233 0.68209613 1\n C C8 1 0.54637563 0.38733352 0.07946809 1\n C C9 1 0.31834391 0.11279847 0.80542108 1\n C C10 1 0.89759117 0.74989850 1.01037060 1\n C C11 1 0.31846226 0.86101407 1.05714566 1\n C C12 1 0.29764636 0.51023441 0.45437849 1\n C C13 1 0.22143244 0.38036950 0.73301536 1\n C C14 1 0.64251699 0.86779336 0.40330523 1\n C C15 1 -0.10251660 0.06547053 0.69487145 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49176000\n_cell_length_b 3.59458000\n_cell_length_c 4.35057000\n_cell_angle_alpha 84.29397000\n_cell_angle_beta 73.36851000\n_cell_angle_gamma 69.69185000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01624467\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84508592 0.82039638 0.38069744 1\n C C1 1 0.76319909 0.19122734 0.17514587 1\n C C2 1 0.36904940 0.19132518 -0.03731082 1\n C C3 1 0.65593738 0.82063625 0.75718872 1\n C C4 1 0.28610347 0.56183653 0.75707076 1\n C C5 1 0.47373844 0.56179923 0.38091563 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51562000\n_cell_length_b 3.51707000\n_cell_length_c 3.31877000\n_cell_angle_alpha 90.02981000\n_cell_angle_beta 89.99527000\n_cell_angle_gamma 120.00031000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53769873\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69156986 0.27528818 0.51119140 1\n C C1 1 1.15532200 0.20287042 0.01104009 1\n C C2 1 0.38701076 -0.02906885 0.84373023 1\n C C3 1 0.46047470 0.50767900 0.34377613 1\n C C4 1 0.69168199 0.97104260 0.17646150 1\n C C5 1 0.15530649 0.50740374 0.67657744 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48739000\n_cell_length_b 3.51629000\n_cell_length_c 4.30443000\n_cell_angle_alpha 65.89491000\n_cell_angle_beta 73.19487000\n_cell_angle_gamma 90.00362000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59551831\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09162710 0.20488596 0.63347595 1\n C C1 1 0.75872083 0.87153831 0.30014887 1\n C C2 1 0.92503643 0.28868735 0.96657059 1\n C C3 1 0.42499788 0.53821143 0.96681640 1\n C C4 1 0.59165729 0.95536280 0.63323581 1\n C C5 1 0.25889858 0.62204055 0.29987849 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49160000\n_cell_length_b 4.35459000\n_cell_length_c 3.59461000\n_cell_angle_alpha 84.29172000\n_cell_angle_beta 69.66729000\n_cell_angle_gamma 73.38484000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.04406123\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70206411 0.59360877 0.24173777 1\n C C1 1 1.07162990 0.59380301 0.50100657 1\n C C2 1 0.99015133 0.38790160 -0.12918115 1\n C C3 1 0.59721613 0.17542866 0.87058657 1\n C C4 1 0.88425039 -0.03028418 0.50087367 1\n C C5 1 -0.48510776 0.96963904 0.24161747 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.89155000\n_cell_length_b 4.20187000\n_cell_length_c 4.55898000\n_cell_angle_alpha 103.05848000\n_cell_angle_beta 115.82116000\n_cell_angle_gamma 112.01070000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.89232266\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36403069 0.87216226 0.39513840 1\n C C1 1 1.03072956 0.20552493 0.06179981 1\n C C2 1 0.70168404 0.20675253 0.72805407 1\n C C3 1 0.03502006 0.87344103 0.06136300 1\n C C4 1 0.36812539 0.54003332 0.39470100 1\n C C5 1 0.69768955 0.53892983 0.72845411 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48783000\n_cell_length_b 2.48793000\n_cell_length_c 6.57700000\n_cell_angle_alpha 112.25388000\n_cell_angle_beta 100.93802000\n_cell_angle_gamma 59.97944000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62200795\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87719380 0.27752200 0.83268318 1\n C C1 1 0.21057899 0.69445654 0.91629363 1\n C C2 1 0.87744440 1.02792530 0.58242243 1\n C C3 1 0.21071896 0.94510452 0.16650950 1\n C C4 1 0.54416832 0.36142797 0.24944336 1\n C C5 1 0.54402093 0.61160898 0.49939149 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43215000\n_cell_length_b 4.20167000\n_cell_length_c 6.18343000\n_cell_angle_alpha 112.01412000\n_cell_angle_beta 100.42183000\n_cell_angle_gamma 89.96313000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.45905820\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28867422 0.38909172 0.98527578 1\n C C1 1 0.28857024 0.72188414 0.98527370 1\n C C2 1 0.53588490 0.33938464 0.48549601 1\n C C3 1 0.03578085 0.17218438 0.48551111 1\n C C4 1 -0.21132966 0.88909861 -0.01473593 1\n C C5 1 0.78855860 0.22187593 0.98527836 1\n C C6 1 0.03584490 0.83937728 0.48548317 1\n C C7 1 0.53576634 0.67218309 0.48551340 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.09554000\n_cell_length_b 6.71858000\n_cell_length_c 5.74822000\n_cell_angle_alpha 63.22374000\n_cell_angle_beta 84.29639000\n_cell_angle_gamma 58.34823000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 118.23477988\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51003737 0.64829866 1.19115128 1\n C C1 1 0.78099024 0.92601762 0.13639652 1\n C C2 1 0.95625006 0.23455712 0.57575845 1\n C C3 1 -0.14564221 0.48327297 1.08416781 1\n C C4 1 0.45447135 0.29450286 0.27304277 1\n C C5 1 0.52635513 0.40193852 0.43791011 1\n C C6 1 0.16402087 0.54695303 0.02028615 1\n C C7 1 1.10984806 0.78584053 1.02405206 1\n C C8 1 0.78174789 0.37627405 0.91915252 1\n C C9 1 0.22128256 0.82188721 0.61135087 1\n C C10 1 0.03187550 0.34729673 0.71548546 1\n C C11 1 0.79831509 0.12990600 0.16543781 1\n C C12 1 0.35236447 0.54329343 0.78150165 1\n C C13 1 1.08651101 -0.04385746 0.74560556 1\n C C14 1 0.27617794 0.43079368 0.64179396 1\n C C15 1 0.14466655 0.23086513 0.33678673 1\n C C16 1 0.52671824 0.85257760 0.21980517 1\n C C17 1 0.19839947 0.99219382 0.33263920 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04016000\n_cell_length_b 3.76043000\n_cell_length_c 5.98401000\n_cell_angle_alpha 78.75669000\n_cell_angle_beta 110.45593000\n_cell_angle_gamma 112.78632000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.95379136\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55514794 0.52666938 0.62272950 1\n C C1 1 0.92411353 0.70509717 0.00383403 1\n C C2 1 0.32318778 0.39528387 0.39237074 1\n C C3 1 0.17210935 0.70785630 0.24397803 1\n C C4 1 0.55105436 0.88890903 0.62313084 1\n C C5 1 0.77589795 0.01837658 0.85402630 1\n C C6 1 0.32615016 0.02168150 0.39222759 1\n C C7 1 0.77293593 0.39206396 0.85424755 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39458000\n_cell_length_b 3.86236000\n_cell_length_c 5.30851000\n_cell_angle_alpha 73.06976000\n_cell_angle_beta 63.96963000\n_cell_angle_gamma 82.08765000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.82577228\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18788899 0.46167498 0.17803335 1\n C C1 1 0.28194562 0.36599593 0.89627641 1\n C C2 1 0.77143177 0.95061446 0.61226641 1\n C C3 1 0.50442585 0.22662803 0.27832405 1\n C C4 1 0.22120743 0.83454871 0.14987464 1\n C C5 1 0.61593327 0.03252874 0.90003320 1\n C C6 1 0.89551226 1.10885344 0.03231817 1\n C C7 1 0.49029395 0.62968353 0.59765648 1\n C C8 1 0.72964282 0.34020994 0.42184429 1\n C C9 1 0.23909643 0.88377023 0.43465051 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48782000\n_cell_length_b 3.51748000\n_cell_length_c 7.46426000\n_cell_angle_alpha 76.34201000\n_cell_angle_beta 70.51600000\n_cell_angle_gamma 44.97124000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.52048367\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.20878454 0.70817380 -0.02958208 1\n C C1 1 0.66552904 0.20842794 0.59560575 1\n C C2 1 1.16589411 0.20792933 0.09557971 1\n C C3 1 0.54094333 1.20850153 0.22041917 1\n C C4 1 1.41585673 -0.29204373 0.84559207 1\n C C5 1 0.04113553 0.20839219 0.72043837 1\n C C6 1 -0.08446122 0.70835794 0.34559473 1\n C C7 1 0.29071872 0.70880151 0.47044029 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43083000\n_cell_length_b 3.24104000\n_cell_length_c 6.02795000\n_cell_angle_alpha 81.74248000\n_cell_angle_beta 90.13257000\n_cell_angle_gamma 68.15779000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.54401614\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58435027 0.57087240 0.60482138 1\n C C1 1 0.91906464 0.90124000 0.27099605 1\n C C2 1 0.80826204 0.11975528 0.04858958 1\n C C3 1 0.14052701 0.45720386 0.71585065 1\n C C4 1 0.25204241 0.23304409 0.93744265 1\n C C5 1 0.47493674 0.78902618 0.38233539 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44242000\n_cell_length_b 4.19693000\n_cell_length_c 6.49872000\n_cell_angle_alpha 108.66512000\n_cell_angle_beta 79.26352000\n_cell_angle_gamma 90.04813000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.88396206\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78987138 0.74899863 0.83205844 1\n C C1 1 0.64891715 0.19405633 0.11491652 1\n C C2 1 1.09602145 0.18862240 0.22143611 1\n C C3 1 0.43814912 0.14367825 0.53773628 1\n C C4 1 0.31483677 0.22254646 0.78166930 1\n C C5 1 0.29499750 0.58724527 0.82248136 1\n C C6 1 0.77144570 0.11293657 0.87070330 1\n C C7 1 0.99117584 0.14951580 0.43123359 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42920000\n_cell_length_b 6.12013000\n_cell_length_c 4.23228000\n_cell_angle_alpha 127.56324000\n_cell_angle_beta 90.01969000\n_cell_angle_gamma 113.33283000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.19654069\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60427580 0.89526893 0.55438518 1\n C C1 1 1.11800835 0.91072853 0.41225578 1\n C C2 1 0.53250516 0.32408084 0.41237127 1\n C C3 1 0.54144285 0.83404265 0.84576956 1\n C C4 1 0.18840248 0.48159383 0.55361005 1\n C C5 1 0.17910556 -0.02843779 0.12054305 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44182000\n_cell_length_b 6.44916000\n_cell_length_c 12.09316000\n_cell_angle_alpha 121.09899000\n_cell_angle_beta 86.40685000\n_cell_angle_gamma 85.63489000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 161.43150693\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70301974 0.07546852 0.74310599 1\n C C1 1 0.30438239 0.50069207 0.48812786 1\n C C2 1 0.38621807 0.15623175 0.10161444 1\n C C3 1 0.26624173 0.02986175 0.55896081 1\n C C4 1 0.82993925 0.47444354 0.42285025 1\n C C5 1 1.17235273 0.11308642 0.81815378 1\n C C6 1 0.74027901 0.05644220 0.62428578 1\n C C7 1 -0.07049285 0.73380276 0.21269428 1\n C C8 1 0.24705388 0.58698403 0.62133904 1\n C C9 1 1.09309085 0.95663634 0.88154002 1\n C C10 1 0.67609511 0.38275564 1.02073704 1\n C C11 1 0.47955141 0.57328917 0.16492837 1\n C C12 1 0.18803112 0.37364449 0.94462892 1\n C C13 1 0.19435604 0.54754140 0.90091387 1\n C C14 1 0.71132348 0.65763782 0.68917796 1\n C C15 1 0.32411462 0.94298544 0.42569817 1\n C C16 1 0.86092107 0.87186475 0.35771541 1\n C C17 1 0.89039236 0.90900547 0.16842078 1\n C C18 1 0.38178982 0.98181128 0.14507041 1\n C C19 1 0.68544975 0.62068758 0.87776156 1\n C C20 1 0.87030450 0.45469059 0.30370283 1\n C C21 1 0.40066372 0.41666010 0.22846518 1\n C C22 1 0.64332078 0.79628145 0.83394755 1\n C C23 1 0.89712931 0.14759645 0.02564633 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47577000\n_cell_length_b 3.72275000\n_cell_length_c 4.91621000\n_cell_angle_alpha 67.75039000\n_cell_angle_beta 59.76601000\n_cell_angle_gamma 89.98742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.19038038\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28023813 0.35392133 0.38452117 1\n C C1 1 0.28004206 -0.10036004 -0.11474565 1\n C C2 1 0.00199810 0.51095801 0.66245682 1\n C C3 1 1.00265212 -0.08110187 0.66252846 1\n C C4 1 1.00154135 0.46492216 0.16330312 1\n C C5 1 0.27930114 0.30748903 0.88548068 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54279000\n_cell_length_b 4.97729000\n_cell_length_c 5.27688000\n_cell_angle_alpha 62.01611000\n_cell_angle_beta 76.21027000\n_cell_angle_gamma 58.98121000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.54241497\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42783626 0.09063694 0.84126445 1\n C C1 1 0.27795669 0.52476343 0.27752231 1\n C C2 1 0.90576574 0.89707616 0.27752209 1\n C C3 1 0.90801534 0.46716958 0.13022400 1\n C C4 1 0.27256156 0.10208401 0.13026596 1\n C C5 1 0.25354567 0.38996539 0.59800159 1\n C C6 1 0.75060740 0.76778599 0.84131642 1\n C C7 1 -0.06828236 0.71170650 0.59804859 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.66741000\n_cell_length_b 4.79775000\n_cell_length_c 6.13086000\n_cell_angle_alpha 66.48103000\n_cell_angle_beta 100.07472000\n_cell_angle_gamma 75.44224000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 115.83485671\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94835586 0.20078841 1.20560010 1\n C C1 1 0.40084728 0.95206488 0.17183621 1\n C C2 1 0.69409829 0.82159755 0.12604942 1\n C C3 1 0.44853733 0.58572389 0.56847839 1\n C C4 1 0.94728508 0.91515606 0.20688784 1\n C C5 1 0.27275601 0.94271300 0.76003441 1\n C C6 1 0.44327726 0.91854113 0.56630370 1\n C C7 1 0.27435606 0.69703921 0.29038756 1\n C C8 1 0.29466403 0.16416682 0.28724776 1\n C C9 1 0.78094450 0.86890054 0.64933378 1\n C C10 1 0.36865305 0.46450717 0.19517686 1\n C C11 1 -0.07552274 0.07977339 0.67334845 1\n C C12 1 0.96238433 0.56544578 0.68695158 1\n C C13 1 0.78560145 0.39094768 0.64157375 1\n C C14 1 0.40171327 0.08107400 0.91120123 1\n C C15 1 0.38551647 0.59060798 0.93822944 1\n C C16 1 0.68502140 0.49088487 1.13676838 1\n C C17 1 0.31060716 0.43728163 0.77818224 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47801000\n_cell_length_b 4.28744000\n_cell_length_c 6.77973000\n_cell_angle_alpha 102.16497000\n_cell_angle_beta 111.42050000\n_cell_angle_gamma 90.00018000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.31400109\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18598906 0.84963861 0.81833293 1\n C C1 1 0.51712842 0.62571838 0.14918728 1\n C C2 1 1.01578644 0.12563785 0.14903245 1\n C C3 1 0.43572451 0.26538462 0.56749488 1\n C C4 1 0.68688662 0.34967502 0.81839035 1\n C C5 1 0.85142839 0.40362825 0.48339816 1\n C C6 1 0.35208920 -0.09634396 0.48351749 1\n C C7 1 0.10063241 0.81992846 0.23268131 1\n C C8 1 0.76920373 0.04406115 -0.09826170 1\n C C9 1 0.59934587 0.31990938 0.23251366 1\n C C10 1 0.93596040 0.76538237 0.56757029 1\n C C11 1 0.27039675 0.54412857 -0.09812041 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.89840000\n_cell_length_b 4.08108000\n_cell_length_c 4.24487000\n_cell_angle_alpha 72.51111000\n_cell_angle_beta 70.76914000\n_cell_angle_gamma 69.53446000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.41509373\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13802234 0.59155054 1.03537740 1\n C C1 1 0.71878533 0.86099414 0.11482198 1\n C C2 1 0.12814018 0.65965769 0.37519866 1\n C C3 1 0.71659113 0.25154632 0.53516598 1\n C C4 1 0.48737860 0.63721525 0.42290801 1\n C C5 1 0.90002722 0.04514739 0.26240381 1\n C C6 1 0.47744370 0.70545935 0.76265722 1\n C C7 1 -0.10267914 0.43591979 0.68288727 1\n C C8 1 0.11395437 0.26342404 -0.03782139 1\n C C9 1 0.50280728 1.03343849 0.83548966 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48782000\n_cell_length_b 4.29160000\n_cell_length_c 6.82703000\n_cell_angle_alpha 73.31763000\n_cell_angle_beta 101.57619000\n_cell_angle_gamma 90.00405000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.27349490\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88739694 0.35830673 0.13578839 1\n C C1 1 0.69098620 0.76348923 0.67510116 1\n C C2 1 0.69154372 1.11152060 0.67590018 1\n C C3 1 0.36876798 0.54382741 0.10079457 1\n C C4 1 0.00512754 0.08859178 0.34600170 1\n C C5 1 -0.11320277 0.01038205 0.13451770 1\n C C6 1 0.20958009 0.57802894 0.70960939 1\n C C7 1 0.36909390 0.85572796 0.10152435 1\n C C8 1 0.20920279 0.26647801 0.70844267 1\n C C9 1 0.57067751 0.03259760 0.46454419 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.23517000\n_cell_length_b 4.22000000\n_cell_length_c 4.31761000\n_cell_angle_alpha 129.72291000\n_cell_angle_beta 102.20724000\n_cell_angle_gamma 79.42602000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.22086236\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56277330 0.46783179 0.83899968 1\n C C1 1 0.06461297 0.52625231 0.39806417 1\n C C2 1 0.25407404 0.73956130 0.80442995 1\n C C3 1 0.75359120 0.68078710 0.24535717 1\n C C4 1 0.25365204 0.12037418 0.18525157 1\n C C5 1 0.56276805 0.08625451 0.45855535 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48772000\n_cell_length_b 4.06032000\n_cell_length_c 6.49392000\n_cell_angle_alpha 71.97693000\n_cell_angle_beta 78.93857000\n_cell_angle_gamma 89.98866000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.09413579\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21719856 0.66923103 0.77283339 1\n C C1 1 0.76430706 0.57968121 0.68022731 1\n C C2 1 0.21750294 0.03739817 0.77196731 1\n C C3 1 0.44044150 0.57593708 0.33192412 1\n C C4 1 0.53029540 0.96512741 0.15287765 1\n C C5 1 0.87329369 0.50915114 0.46468677 1\n C C6 1 0.09156746 0.53651286 0.02972834 1\n C C7 1 0.76488144 0.21935456 0.67867424 1\n C C8 1 0.53027773 0.36679418 0.15298324 1\n C C9 1 1.09168872 0.91664727 0.02937222 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28384000\n_cell_length_b 5.17315000\n_cell_length_c 4.43467000\n_cell_angle_alpha 80.37293000\n_cell_angle_beta 96.71326000\n_cell_angle_gamma 121.49805000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.29152976\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89845466 0.14879675 0.28692240 1\n C C1 1 0.76108166 0.53985262 0.93392028 1\n C C2 1 0.62579233 0.22300818 0.01335681 1\n C C3 1 0.06273057 0.65892755 0.44696720 1\n C C4 1 0.66163321 0.61809676 0.61597667 1\n C C5 1 0.96292527 0.73746158 0.13006549 1\n C C6 1 0.59007160 0.89413499 0.54258327 1\n C C7 1 1.09926351 1.05411435 0.05153205 1\n C C8 1 0.13489135 0.38326321 0.52102772 1\n C C9 1 0.82696763 0.12881851 0.77669509 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.16750000\n_cell_length_b 3.31367000\n_cell_length_c 5.73037000\n_cell_angle_alpha 80.36612000\n_cell_angle_beta 76.79545000\n_cell_angle_gamma 76.70125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.42407767\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61913080 0.39902761 0.17564724 1\n C C1 1 0.22532974 0.93673279 0.71522416 1\n C C2 1 0.16663454 0.20950258 0.91719411 1\n C C3 1 0.92200727 0.03880583 0.14330250 1\n C C4 1 0.18620324 -0.02857437 0.29679447 1\n C C5 1 0.52159614 0.65593501 0.58828789 1\n C C6 1 0.83166603 0.52585948 0.62447263 1\n C C7 1 0.73360036 0.78178996 0.03949492 1\n C C8 1 0.12768148 0.24313957 0.49897423 1\n C C9 1 0.38092869 0.54004373 0.39707668 1\n C C10 1 0.43048217 0.14204771 0.07177906 1\n C C11 1 0.97166424 0.64074060 0.81689641 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48745000\n_cell_length_b 4.06075000\n_cell_length_c 4.69747000\n_cell_angle_alpha 105.94428000\n_cell_angle_beta 90.00610000\n_cell_angle_gamma 89.99879000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.62334749\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59718041 0.96358092 0.91317602 1\n C C1 1 0.09718665 0.18790103 0.90745460 1\n C C2 1 0.59709677 0.76274287 0.13901033 1\n C C3 1 0.59731842 0.72939064 0.60546336 1\n C C4 1 0.09734363 0.52819921 0.49065614 1\n C C5 1 0.09733796 0.19539803 0.56073626 1\n C C6 1 1.09719036 0.53639187 0.14361174 1\n C C7 1 0.59723230 -0.00573068 0.44603235 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45563000\n_cell_length_b 3.66502000\n_cell_length_c 6.40823000\n_cell_angle_alpha 95.10563000\n_cell_angle_beta 101.00016000\n_cell_angle_gamma 109.63187000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.58689703\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51792082 0.09512858 0.93935789 1\n C C1 1 0.12013138 0.49399119 0.74471882 1\n C C2 1 0.69828789 0.50266770 0.89142600 1\n C C3 1 0.97510759 0.92376016 1.02687203 1\n C C4 1 0.69542793 1.01737691 0.37187340 1\n C C5 1 0.12304291 -0.01933083 0.26453643 1\n C C6 1 0.84159281 1.07319527 0.60951688 1\n C C7 1 0.29982597 -0.09785050 0.69761905 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55871000\n_cell_length_b 2.43272000\n_cell_length_c 8.11119000\n_cell_angle_alpha 126.82134000\n_cell_angle_beta 98.63533000\n_cell_angle_gamma 89.98265000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.70140847\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88241893 0.07690845 0.81680599 1\n C C1 1 0.10617390 0.94911015 0.25308740 1\n C C2 1 -0.06351722 0.79094331 0.92403038 1\n C C3 1 0.77016273 0.61543834 0.58704868 1\n C C4 1 0.05011003 0.23463047 0.14580730 1\n C C5 1 1.22103014 0.40735088 0.48318245 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29106000\n_cell_length_b 4.47284000\n_cell_length_c 4.95930000\n_cell_angle_alpha 76.07465000\n_cell_angle_beta 65.26732000\n_cell_angle_gamma 62.96915000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.94783725\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03858674 0.29097039 0.20640247 1\n C C1 1 0.00389814 0.01420776 0.64643219 1\n C C2 1 0.83795419 0.49848457 0.93403714 1\n C C3 1 0.52032051 0.86816091 0.42451872 1\n C C4 1 1.09061825 0.33422665 0.63734128 1\n C C5 1 0.64776260 1.13175464 0.48230036 1\n C C6 1 0.28091625 0.70095346 1.08900851 1\n C C7 1 0.96819098 0.54144560 0.36419905 1\n C C8 1 -0.07610999 0.81880190 0.92540364 1\n C C9 1 0.40822881 0.96427852 1.14726534 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.90473000\n_cell_length_b 5.08189000\n_cell_length_c 4.66665000\n_cell_angle_alpha 71.58593000\n_cell_angle_beta 80.05075000\n_cell_angle_gamma 65.02112000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.18405765\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06450320 0.61395364 0.89037107 1\n C C1 1 1.06866241 0.60940561 0.57715290 1\n C C2 1 0.35676453 0.32334436 1.05070948 1\n C C3 1 0.37936966 0.29908577 0.57189043 1\n C C4 1 0.51618885 0.16253350 0.34137052 1\n C C5 1 0.82922186 0.85202350 0.33598690 1\n C C6 1 0.83337755 0.84731935 0.02288397 1\n C C7 1 0.54507905 0.13842207 0.86164294 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44498000\n_cell_length_b 4.73187000\n_cell_length_c 8.46483000\n_cell_angle_alpha 72.08487000\n_cell_angle_beta 97.10985000\n_cell_angle_gamma 71.91455000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 121.08686670\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53521300 0.57488811 0.71322612 1\n C C1 1 -0.00658516 1.08167199 -0.04228890 1\n C C2 1 0.68115267 0.58863241 0.29400792 1\n C C3 1 0.67896529 0.89574531 0.29484843 1\n C C4 1 0.69389575 0.73609403 0.79815180 1\n C C5 1 0.44266374 0.50967147 0.18512677 1\n C C6 1 0.13892269 0.26350319 0.03507796 1\n C C7 1 0.23995494 0.12333065 0.56083791 1\n C C8 1 0.43914255 0.20150683 0.18601834 1\n C C9 1 1.23739405 0.81488025 0.56158710 1\n C C10 1 0.53426639 0.06208482 0.71315426 1\n C C11 1 1.00676201 0.73619606 0.44958752 1\n C C12 1 0.68044536 0.24303253 0.79093714 1\n C C13 1 0.13830914 0.74995853 1.03529883 1\n C C14 1 1.00864551 0.42917009 0.44890589 1\n C C15 1 0.97619059 0.58968724 0.95074271 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42708000\n_cell_length_b 5.54394000\n_cell_length_c 6.65187000\n_cell_angle_alpha 72.82922000\n_cell_angle_beta 76.73051000\n_cell_angle_gamma 62.28715000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 75.25442688\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87773346 0.23834371 -0.07521034 1\n C C1 1 0.67772090 0.83884966 0.12622877 1\n C C2 1 0.47507113 0.43964756 0.32673547 1\n C C3 1 1.07547728 0.64041028 0.72741690 1\n C C4 1 0.27977216 1.03869886 0.52412361 1\n C C5 1 0.27635559 0.70679305 0.19386964 1\n C C6 1 0.87852375 -0.09381092 0.59169083 1\n C C7 1 0.67664142 0.50654736 0.79357384 1\n C C8 1 0.47823006 0.10492678 -0.00897580 1\n C C9 1 0.07660934 1.30642225 0.39188647 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43867000\n_cell_length_b 5.55340000\n_cell_length_c 5.28547000\n_cell_angle_alpha 72.91642000\n_cell_angle_beta 84.05430000\n_cell_angle_gamma 70.07001000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.32401179\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19242468 0.23585032 0.87955913 1\n C C1 1 0.76352046 0.95657228 0.25056172 1\n C C2 1 0.98162744 0.71324947 0.49566979 1\n C C3 1 0.92809650 0.79189372 0.75292566 1\n C C4 1 0.61462274 0.53993105 0.51005853 1\n C C5 1 0.38688535 0.82701461 0.87055080 1\n C C6 1 0.86783406 0.33244172 0.36274539 1\n C C7 1 0.28886059 0.97185151 0.07919031 1\n C C8 1 0.47886695 0.21502147 0.32774702 1\n C C9 1 0.64651092 0.34192935 0.77301246 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45658000\n_cell_length_b 6.80532000\n_cell_length_c 2.53075000\n_cell_angle_alpha 83.76586000\n_cell_angle_beta 90.25611000\n_cell_angle_gamma 69.54668000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.36604658\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74935415 0.94398813 -0.03987637 1\n C C1 1 0.69791474 0.50202646 0.64957831 1\n C C2 1 0.51304490 0.17478733 0.86096987 1\n C C3 1 0.86265772 0.83940171 0.49022218 1\n C C4 1 -0.09064847 0.28120546 0.79170976 1\n C C5 1 0.09525036 0.60827592 0.58364626 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46603000\n_cell_length_b 3.30936000\n_cell_length_c 6.51949000\n_cell_angle_alpha 78.81762000\n_cell_angle_beta 97.45278000\n_cell_angle_gamma 76.23364000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.82504508\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54423990 0.20592870 0.61263219 1\n C C1 1 0.98005626 0.27008928 0.48401228 1\n C C2 1 0.21976212 1.01672042 -0.04823209 1\n C C3 1 0.51370423 0.57826098 0.11087550 1\n C C4 1 1.11946945 -0.02227453 0.32515772 1\n C C5 1 0.08906145 0.30443003 0.11174401 1\n C C6 1 0.65348495 0.08414916 -0.17690858 1\n C C7 1 0.69456684 0.70593516 0.32510307 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46656000\n_cell_length_b 3.90356000\n_cell_length_c 8.40773000\n_cell_angle_alpha 81.52189000\n_cell_angle_beta 89.98830000\n_cell_angle_gamma 71.57821000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 75.87218240\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86336292 0.94188346 0.28217258 1\n C C1 1 0.15622928 0.34429659 0.07765235 1\n C C2 1 0.35620354 0.96222124 0.53430448 1\n C C3 1 0.34352931 0.97730619 0.04270188 1\n C C4 1 0.44801936 0.77085176 0.21630146 1\n C C5 1 0.35025272 -0.03322804 0.70845735 1\n C C6 1 -0.13365678 0.93199113 0.94790404 1\n C C7 1 0.76397159 0.13799788 0.77419028 1\n C C8 1 1.04618025 0.56495484 0.91380053 1\n C C9 1 0.86444958 0.94629405 0.45650459 1\n C C10 1 -0.35665348 0.37118860 0.17976838 1\n C C11 1 0.55979271 0.53780630 0.81156909 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34992000\n_cell_length_b 3.40729000\n_cell_length_c 4.58303000\n_cell_angle_alpha 89.15806000\n_cell_angle_beta 68.49930000\n_cell_angle_gamma 87.91271000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.63885482\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58156593 0.81012518 0.35420713 1\n C C1 1 0.46839085 0.66764163 0.87959689 1\n C C2 1 0.81011617 0.65521705 0.55979583 1\n C C3 1 0.06969777 0.31012854 0.37876093 1\n C C4 1 0.17013694 0.95567887 0.87916159 1\n C C5 1 0.14669191 -0.03505295 0.55976366 1\n C C6 1 0.50996707 0.47712342 0.16428804 1\n C C7 1 0.84461516 1.14421036 0.16426793 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43313000\n_cell_length_b 3.08639000\n_cell_length_c 6.40986000\n_cell_angle_alpha 75.93330000\n_cell_angle_beta 79.16334000\n_cell_angle_gamma 69.18757000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.37013258\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51843457 0.67919883 0.57621173 1\n C C1 1 0.41076193 -0.32896706 0.79895091 1\n C C2 1 0.85478425 0.67132212 0.91047432 1\n C C3 1 0.07458385 0.67828159 0.46466031 1\n C C4 1 0.74396957 0.67100288 0.13240505 1\n C C5 1 0.18584573 0.67745314 0.24272247 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39901000\n_cell_length_b 2.45946000\n_cell_length_c 5.31811000\n_cell_angle_alpha 90.01390000\n_cell_angle_beta 83.97224000\n_cell_angle_gamma 68.84570000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.19790821\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72053684 -0.08337620 -0.02166706 1\n C C1 1 0.63409978 0.46105967 0.38127237 1\n C C2 1 0.91696849 0.31814066 0.85149067 1\n C C3 1 0.65638199 0.95037562 0.25391713 1\n C C4 1 0.57146334 0.49175521 0.65673812 1\n C C5 1 0.37482945 1.09011294 0.78410467 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49033000\n_cell_length_b 3.59433000\n_cell_length_c 4.35062000\n_cell_angle_alpha 84.28274000\n_cell_angle_beta 106.63848000\n_cell_angle_gamma 110.33598000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98654751\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75561049 0.52715623 0.15978966 1\n C C1 1 0.31258373 0.26714916 0.53580975 1\n C C2 1 0.23066528 0.89754119 0.74162250 1\n C C3 1 0.94379127 0.52700291 0.53611303 1\n C C4 1 0.12520340 0.26751210 0.15975804 1\n C C5 1 -0.16219386 0.89796421 -0.04594698 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49056000\n_cell_length_b 3.59384000\n_cell_length_c 4.35275000\n_cell_angle_alpha 84.29022000\n_cell_angle_beta 73.39528000\n_cell_angle_gamma 69.67301000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01032884\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25437192 0.13803926 0.95447552 1\n C C1 1 0.77942194 0.50860775 0.53629546 1\n C C2 1 0.17315661 0.50876992 0.74869723 1\n C C3 1 1.06592750 0.13812492 0.33066996 1\n C C4 1 0.69692814 0.87823710 0.33045047 1\n C C5 1 0.88409110 0.87842655 0.95458026 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48977000\n_cell_length_b 3.93598000\n_cell_length_c 5.94929000\n_cell_angle_alpha 82.44367000\n_cell_angle_beta 77.92195000\n_cell_angle_gamma 90.00063000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.49271474\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72109795 0.30937156 0.84838079 1\n C C1 1 0.53804025 1.05428186 0.21753740 1\n C C2 1 0.44050118 0.75241785 0.41693937 1\n C C3 1 0.20330134 0.81969173 0.88559912 1\n C C4 1 0.33832952 -0.02278557 0.61878304 1\n C C5 1 0.94474900 0.51796415 0.40822650 1\n C C6 1 0.04304738 0.29253659 0.20682031 1\n C C7 1 0.84406944 0.21677953 0.60794769 1\n C C8 1 0.17588699 0.45282839 0.93988851 1\n C C9 1 0.65687875 -0.03641559 0.97708337 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41574000\n_cell_length_b 4.72597000\n_cell_length_c 6.55537000\n_cell_angle_alpha 81.56123000\n_cell_angle_beta 85.15569000\n_cell_angle_gamma 44.42151000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.23403504\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34881618 0.28971912 0.20636361 1\n C C1 1 0.35455724 0.95793395 0.18511870 1\n C C2 1 0.80743218 0.20534391 0.29670683 1\n C C3 1 0.28773571 0.05483236 0.95198229 1\n C C4 1 0.28214602 0.38642945 0.97356865 1\n C C5 1 0.82922157 0.13885892 0.86161995 1\n C C6 1 0.86066128 0.79154459 0.85393129 1\n C C7 1 0.65048996 0.65106679 0.53264887 1\n C C8 1 0.65038902 0.34265838 0.64239582 1\n C C9 1 -0.01567315 1.00077481 0.51597774 1\n C C10 1 0.77606089 0.55261458 0.30486644 1\n C C11 1 0.98514981 0.69246835 0.62650701 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44206000\n_cell_length_b 3.63102000\n_cell_length_c 10.28141000\n_cell_angle_alpha 97.15143000\n_cell_angle_beta 83.08972000\n_cell_angle_gamma 109.69354000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 84.86660193\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.16141941 0.59504544 0.78638796 1\n C C1 1 1.05670681 0.95502542 0.70347808 1\n C C2 1 0.76532160 0.59483782 -0.06928128 1\n C C3 1 0.57123583 0.89495557 0.61321455 1\n C C4 1 0.26077720 0.38418162 0.73123822 1\n C C5 1 0.21213771 0.54838404 -0.00529717 1\n C C6 1 0.37382484 0.46556291 0.58448788 1\n C C7 1 0.86266707 0.23373286 0.38532692 1\n C C8 1 1.08862876 0.43274050 0.12547893 1\n C C9 1 0.40823619 1.26434824 0.31973287 1\n C C10 1 -0.20522644 0.25234910 0.52999217 1\n C C11 1 0.52906914 0.36794598 0.18783196 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.14476000\n_cell_length_b 4.36005000\n_cell_length_c 5.97996000\n_cell_angle_alpha 113.84885000\n_cell_angle_beta 92.95755000\n_cell_angle_gamma 101.64636000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.63146702\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13787270 0.63305701 0.99933918 1\n C C1 1 0.45207212 0.94661202 0.11153338 1\n C C2 1 0.66749191 0.16128606 0.35445399 1\n C C3 1 -0.06641450 0.42837504 0.11171636 1\n C C4 1 0.61613858 0.11333640 0.96350989 1\n C C5 1 0.17420015 0.67352583 0.59602249 1\n C C6 1 0.49259750 0.98583394 0.70820971 1\n C C7 1 0.96097603 0.45796215 0.35273417 1\n C C8 1 0.69642517 0.19037947 0.59557830 1\n C C9 1 0.01530264 0.50515848 0.74385623 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.99462000\n_cell_length_b 4.67208000\n_cell_length_c 5.39497000\n_cell_angle_alpha 119.61744000\n_cell_angle_beta 98.50826000\n_cell_angle_gamma 107.51532000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.43274041\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55022506 0.74225408 -0.10492629 1\n C C1 1 0.52147677 0.23806110 0.86890211 1\n C C2 1 0.68642888 1.10937943 1.02981816 1\n C C3 1 0.99428252 0.42556483 0.34181185 1\n C C4 1 -0.00010666 0.74241981 0.34650646 1\n C C5 1 0.71081798 0.61262596 0.05567797 1\n C C6 1 0.23350249 0.10877940 0.57801235 1\n C C7 1 0.23941697 0.42601409 0.58305681 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43555000\n_cell_length_b 4.99184000\n_cell_length_c 4.91712000\n_cell_angle_alpha 120.52763000\n_cell_angle_beta 79.05137000\n_cell_angle_gamma 136.55561000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.61783112\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49298409 0.37867255 0.64485379 1\n C C1 1 0.99544973 0.31313253 0.01160140 1\n C C2 1 0.80750186 0.03052217 0.63388562 1\n C C3 1 0.55467901 0.54894110 0.44405934 1\n C C4 1 0.93357473 1.14254755 0.21211450 1\n C C5 1 -0.06658769 0.62241335 0.21241636 1\n C C6 1 0.55492382 0.06922928 0.44384964 1\n C C7 1 0.68083286 0.66117156 1.02246816 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.62180000\n_cell_length_b 3.66375000\n_cell_length_c 4.66286000\n_cell_angle_alpha 113.02225000\n_cell_angle_beta 105.55121000\n_cell_angle_gamma 90.34234000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.40176005\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11242637 0.27080101 0.42701574 1\n C C1 1 -0.00228443 0.46797794 0.19525562 1\n C C2 1 0.28080575 0.55815713 0.75091439 1\n C C3 1 0.27976099 0.93263970 0.75100366 1\n C C4 1 0.39475708 0.36127797 0.98240887 1\n C C5 1 1.11356464 0.89646064 0.42731733 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48190000\n_cell_length_b 4.13555000\n_cell_length_c 9.57837000\n_cell_angle_alpha 55.16130000\n_cell_angle_beta 89.99979000\n_cell_angle_gamma 89.99993000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.69139413\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62867358 0.66644634 0.40020058 1\n C C1 1 1.12873108 0.26669136 0.22733612 1\n C C2 1 0.12870543 0.82947085 0.96816434 1\n C C3 1 1.12871830 -0.29832701 0.15831428 1\n C C4 1 0.12869599 -0.01742549 0.53879034 1\n C C5 1 0.12872566 0.61201885 0.73456749 1\n C C6 1 0.62873676 0.68431245 0.80127851 1\n C C7 1 0.62868916 1.22007809 0.52926627 1\n C C8 1 0.62872454 0.60579973 -0.02863801 1\n C C9 1 0.62872436 0.23421365 0.14453997 1\n C C10 1 0.12866849 -0.11788504 0.40802200 1\n C C11 1 0.62872409 -0.18512473 0.20820375 1\n C C12 1 0.12878643 0.20974945 0.77301505 1\n C C13 1 0.62876814 1.12617730 0.70733099 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48064000\n_cell_length_b 2.48070000\n_cell_length_c 9.01220000\n_cell_angle_alpha 82.08095000\n_cell_angle_beta 114.36536000\n_cell_angle_gamma 120.04514000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.56418850\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.19830801 0.33457097 0.73853939 1\n C C1 1 0.65376293 0.10460861 0.04951126 1\n C C2 1 0.88239680 0.75004393 0.98679237 1\n C C3 1 1.40602063 0.85598084 0.30084871 1\n C C4 1 0.49212588 0.27395662 0.55216184 1\n C C5 1 0.57216286 0.68873735 0.80076359 1\n C C6 1 0.72076042 -0.08053437 0.48949521 1\n C C7 1 0.96742538 0.16785786 0.23767083 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48491000\n_cell_length_b 6.32146000\n_cell_length_c 6.68918000\n_cell_angle_alpha 113.46688000\n_cell_angle_beta 111.81393000\n_cell_angle_gamma 101.34172000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.82821435\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76225530 0.64712704 0.59104878 1\n C C1 1 0.90316281 0.68767764 0.21304342 1\n C C2 1 0.06178432 0.94394011 0.24435366 1\n C C3 1 0.46087057 0.13207398 0.54878356 1\n C C4 1 0.22346983 0.36192200 0.19609575 1\n C C5 1 0.49117506 0.42880320 0.92973111 1\n C C6 1 0.10937449 0.91869070 0.80158708 1\n C C7 1 1.14118458 0.48499272 0.55179868 1\n C C8 1 0.49479201 0.63971829 0.32830671 1\n C C9 1 0.49019953 1.00559871 0.14170086 1\n C C10 1 0.75792008 0.28835625 0.26705604 1\n C C11 1 0.14717503 0.31095748 0.64588234 1\n C C12 1 0.62550051 0.03810099 0.75846623 1\n C C13 1 0.94934837 0.30438109 0.94952917 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.02760000\n_cell_length_b 4.49181000\n_cell_length_c 5.73977000\n_cell_angle_alpha 94.80380000\n_cell_angle_beta 121.12341000\n_cell_angle_gamma 94.00347000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.79805852\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54712619 0.88397458 0.25814157 1\n C C1 1 0.62421633 0.61040513 0.79934336 1\n C C2 1 0.95100472 0.47313329 0.96401359 1\n C C3 1 0.96196157 0.15335776 -0.03111737 1\n C C4 1 -0.05178229 0.85537574 0.45704038 1\n C C5 1 0.36311157 0.12598727 0.16859540 1\n C C6 1 0.62898507 0.93836086 0.80131562 1\n C C7 1 0.28435981 0.39783140 0.62746475 1\n C C8 1 -0.04123501 0.53584330 0.46228615 1\n C C9 1 0.28005303 0.07002946 0.62580305 1\n C C10 1 0.57760435 0.40114793 0.27480978 1\n C C11 1 0.33160186 0.60843509 0.15255961 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.20321000\n_cell_length_b 5.52998000\n_cell_length_c 4.15722000\n_cell_angle_alpha 90.53627000\n_cell_angle_beta 99.62016000\n_cell_angle_gamma 89.32093000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.59698885\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43695804 0.29980494 0.58463782 1\n C C1 1 0.59218102 0.67831283 0.73671791 1\n C C2 1 0.28171498 0.67829473 0.43206996 1\n C C3 1 0.93661483 0.31125838 0.08465368 1\n C C4 1 0.19159206 0.91979539 0.33869679 1\n C C5 1 -0.31810376 -0.08032386 0.83049884 1\n C C6 1 0.43695252 0.05609976 0.58447022 1\n C C7 1 0.19188580 0.43609992 0.33919444 1\n C C8 1 0.93694841 1.04594719 0.08457255 1\n C C9 1 0.68158902 0.43606112 0.83035880 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49044000\n_cell_length_b 5.36467000\n_cell_length_c 4.35899000\n_cell_angle_alpha 138.28519000\n_cell_angle_beta 106.57616000\n_cell_angle_gamma 89.99929000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01071986\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51249435 0.09151615 0.36705994 1\n C C1 1 -0.04617555 0.35102629 0.25073602 1\n C C2 1 0.32466340 0.09148757 -0.00849646 1\n C C3 1 0.43040197 0.72123453 0.20289563 1\n C C4 1 1.14165540 0.35105487 0.62629243 1\n C C5 1 0.03591682 0.72130791 0.41490034 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48208000\n_cell_length_b 4.52267000\n_cell_length_c 7.61255000\n_cell_angle_alpha 107.47307000\n_cell_angle_beta 108.96257000\n_cell_angle_gamma 56.83054000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.83477479\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62881194 0.28486938 0.90890847 1\n C C1 1 0.75432480 1.01448276 0.76364383 1\n C C2 1 -0.05818131 0.69937502 0.13474965 1\n C C3 1 0.85316326 0.54768993 0.39376965 1\n C C4 1 0.24170084 0.92095718 -0.34278155 1\n C C5 1 0.44457673 0.57939443 0.51741426 1\n C C6 1 0.84754646 0.16506227 0.50599408 1\n C C7 1 0.05854829 0.43341126 -0.01282421 1\n C C8 1 1.25547712 0.13316716 0.38164968 1\n C C9 1 0.45620307 0.79158591 0.24140075 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48152000\n_cell_length_b 3.68814000\n_cell_length_c 4.21977000\n_cell_angle_alpha 104.93884000\n_cell_angle_beta 89.93565000\n_cell_angle_gamma 109.64490000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98728393\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05871939 0.67066690 0.68613784 1\n C C1 1 0.25922959 0.06825827 0.61028572 1\n C C2 1 0.73874376 0.02773611 0.38833682 1\n C C3 1 0.48024659 0.51366720 0.81671907 1\n C C4 1 -0.06074604 0.42532747 0.31248470 1\n C C5 1 0.51772676 0.58232718 0.18190347 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43124000\n_cell_length_b 3.93533000\n_cell_length_c 6.25484000\n_cell_angle_alpha 71.89474000\n_cell_angle_beta 88.74313000\n_cell_angle_gamma 89.00176000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.86432904\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18675949 0.84903358 0.64639206 1\n C C1 1 0.68651473 0.34841888 0.39546391 1\n C C2 1 0.18647170 0.18065654 0.47914055 1\n C C3 1 0.68683660 0.68033987 0.22832700 1\n C C4 1 0.68651777 0.34839250 0.89541557 1\n C C5 1 1.18681435 0.84900716 0.14641864 1\n C C6 1 0.18646935 0.18060382 -0.02087205 1\n C C7 1 0.68678332 0.68034435 0.72828203 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48383000\n_cell_length_b 4.04427000\n_cell_length_c 8.22323000\n_cell_angle_alpha 90.01660000\n_cell_angle_beta 107.57362000\n_cell_angle_gamma 89.98940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.74946069\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65474583 0.71103328 0.82583991 1\n C C1 1 0.80285204 0.97390625 -0.02708824 1\n C C2 1 0.71276689 0.68139509 0.38045326 1\n C C3 1 0.46885608 0.83457104 0.63882276 1\n C C4 1 0.19924964 0.17927712 0.36608014 1\n C C5 1 0.41141858 0.17939989 0.58108068 1\n C C6 1 0.45282220 0.47290206 0.11964066 1\n C C7 1 0.63868605 0.35075558 0.30587377 1\n C C8 1 0.97073681 0.35116555 0.64079046 1\n C C9 1 0.30294359 0.21081978 -0.02710688 1\n C C10 1 0.95344437 0.71103742 0.12044731 1\n C C11 1 0.15568073 0.47322094 0.82669203 1\n C C12 1 0.14003332 0.83448606 0.30781279 1\n C C13 1 0.89626657 0.68155332 0.56599274 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43146000\n_cell_length_b 4.20184000\n_cell_length_c 5.58114000\n_cell_angle_alpha 90.30720000\n_cell_angle_beta 89.99190000\n_cell_angle_gamma 89.85494000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.01930476\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97064167 -0.00971671 0.45196115 1\n C C1 1 0.47109607 0.15764337 0.45210507 1\n C C2 1 0.89377480 0.36236017 0.94642007 1\n C C3 1 0.89323565 0.69499493 0.94636054 1\n C C4 1 0.39328576 0.19499175 -0.05367803 1\n C C5 1 -0.02886380 0.65764813 0.45206004 1\n C C6 1 0.47068690 0.49028932 0.45187031 1\n C C7 1 0.39371797 0.86236155 -0.05353644 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44804000\n_cell_length_b 3.49965000\n_cell_length_c 7.79524000\n_cell_angle_alpha 73.83070000\n_cell_angle_beta 99.02644000\n_cell_angle_gamma 110.52522000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.93990133\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28639348 -0.01221623 0.05399520 1\n C C1 1 0.49420776 0.26095122 0.19910995 1\n C C2 1 0.79661543 0.45296471 0.61015649 1\n C C3 1 0.58895999 1.01590681 0.62943647 1\n C C4 1 0.34680418 0.83248482 0.32921211 1\n C C5 1 0.76091299 0.05125064 0.93849185 1\n C C6 1 0.13874501 0.55152624 0.19894179 1\n C C7 1 0.91451802 0.48776760 0.81165390 1\n C C8 1 0.38027661 0.70671824 0.52358125 1\n C C9 1 0.54926862 0.75441714 0.81490681 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43226000\n_cell_length_b 4.81858000\n_cell_length_c 4.22828000\n_cell_angle_alpha 82.24985000\n_cell_angle_beta 73.25055000\n_cell_angle_gamma 75.31025000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.79988170\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79295471 1.04661512 0.37629323 1\n C C1 1 0.17979147 0.79971143 0.85093441 1\n C C2 1 0.64063910 0.98293327 0.74333417 1\n C C3 1 0.01285130 0.77084345 0.21574055 1\n C C4 1 0.42273287 0.25885342 0.90391902 1\n C C5 1 1.02848788 0.51174554 0.44181542 1\n C C6 1 0.40582461 0.51832334 0.67808650 1\n C C7 1 0.25507367 0.23000143 0.26885869 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.78505000\n_cell_length_b 3.91704000\n_cell_length_c 3.32103000\n_cell_angle_alpha 74.19448000\n_cell_angle_beta 95.91415000\n_cell_angle_gamma 88.05233000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.02530206\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01891261 0.30316595 0.01764045 1\n C C1 1 0.16432691 -0.05727416 0.93555145 1\n C C2 1 0.88455427 0.54183712 0.58795371 1\n C C3 1 0.52708997 0.04965483 0.83946641 1\n C C4 1 0.82987709 0.89350003 0.63972494 1\n C C5 1 0.70843400 0.15876245 0.21359675 1\n C C6 1 0.53754743 0.38192918 0.45490038 1\n C C7 1 0.17377593 0.56093720 1.26697890 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48088000\n_cell_length_b 6.27916000\n_cell_length_c 4.83770000\n_cell_angle_alpha 76.12054000\n_cell_angle_beta 75.15598000\n_cell_angle_gamma 78.59063000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.96834163\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34586161 0.24253725 0.30296657 1\n C C1 1 0.03243894 0.67817610 0.49339530 1\n C C2 1 0.59778706 0.53407031 0.50707676 1\n C C3 1 0.49140350 0.41486926 0.83314584 1\n C C4 1 0.38039861 0.00612457 0.46416188 1\n C C5 1 -0.21926198 0.38587743 0.28993456 1\n C C6 1 0.84588861 0.74250633 0.80298732 1\n C C7 1 0.99140517 0.91490712 0.33324635 1\n C C8 1 1.09781827 0.03403782 1.00717365 1\n C C9 1 0.53247837 0.17814808 -0.00659092 1\n C C10 1 0.28076364 0.88584766 0.79003132 1\n C C11 1 0.88039930 0.50608166 -0.03593192 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42947000\n_cell_length_b 2.42944000\n_cell_length_c 8.87158000\n_cell_angle_alpha 106.52353000\n_cell_angle_beta 106.54376000\n_cell_angle_gamma 60.00702000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.83171911\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47106119 0.63090998 0.21046222 1\n C C1 1 0.03386541 0.19578875 0.54307560 1\n C C2 1 -0.12244347 0.11494077 0.87697308 1\n C C3 1 1.13755834 0.29763207 0.21045374 1\n C C4 1 0.54384928 0.78124747 0.87642963 1\n C C5 1 0.36711815 0.52926327 0.54307823 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48326000\n_cell_length_b 3.55672000\n_cell_length_c 6.30691000\n_cell_angle_alpha 91.33883000\n_cell_angle_beta 89.99667000\n_cell_angle_gamma 69.52949000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.17041565\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09533547 0.16301472 0.76629535 1\n C C1 1 0.40463638 0.53915590 0.03855714 1\n C C2 1 0.77570990 0.79803125 0.03766001 1\n C C3 1 0.76876805 0.81077255 0.28732783 1\n C C4 1 0.57941907 0.18961130 0.42844982 1\n C C5 1 0.59615877 0.16111373 0.89517451 1\n C C6 1 1.08041956 0.18839998 0.55724178 1\n C C7 1 0.39701581 0.55292857 0.28817136 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48254000\n_cell_length_b 3.66615000\n_cell_length_c 5.57140000\n_cell_angle_alpha 70.83190000\n_cell_angle_beta 102.89190000\n_cell_angle_gamma 90.01760000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.54199404\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79486358 0.02536760 0.17647653 1\n C C1 1 0.18610482 0.63741444 0.95212906 1\n C C2 1 0.29481641 0.26388223 0.17625950 1\n C C3 1 0.91707252 0.64331343 0.41958018 1\n C C4 1 0.41712084 0.40470854 0.41971859 1\n C C5 1 0.53174553 0.03114868 0.64408535 1\n C C6 1 1.03129191 0.79321062 0.64355374 1\n C C7 1 0.68656359 0.87533445 -0.04738615 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44939000\n_cell_length_b 5.45702000\n_cell_length_c 8.38202000\n_cell_angle_alpha 116.50083000\n_cell_angle_beta 98.38883000\n_cell_angle_gamma 90.05473000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 98.91599872\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77070103 -0.06459426 0.26743180 1\n C C1 1 0.13150282 0.85810069 -0.00920350 1\n C C2 1 0.65872288 0.29666156 0.04920556 1\n C C3 1 0.97541301 0.47030819 0.68146420 1\n C C4 1 0.21417913 0.38704051 0.16022436 1\n C C5 1 0.30560611 0.52312013 0.34028121 1\n C C6 1 -0.04299035 0.70456396 0.63988689 1\n C C7 1 0.85969556 -0.06353451 0.44035701 1\n C C8 1 -0.14167218 0.65489520 0.44227367 1\n C C9 1 0.49603272 0.14026488 0.71856806 1\n C C10 1 0.58561542 0.39784150 0.90139175 1\n C C11 1 0.22728008 -0.07941550 0.18313795 1\n C C12 1 -0.49417204 -0.11884757 0.73590027 1\n C C13 1 0.60806837 0.97081010 0.94118427 1\n C C14 1 -0.05297663 0.16949593 0.61693225 1\n C C15 1 1.07605605 0.54881260 0.88236695 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48221000\n_cell_length_b 3.74644000\n_cell_length_c 3.84168000\n_cell_angle_alpha 90.02421000\n_cell_angle_beta 90.02953000\n_cell_angle_gamma 90.00465000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.72550622\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54716491 0.92704385 0.04827190 1\n C C1 1 0.04720697 0.15583429 0.04812408 1\n C C2 1 1.04703201 0.42322134 0.75363282 1\n C C3 1 0.54705637 0.65959160 0.75381450 1\n C C4 1 1.04719057 0.42341659 0.34274748 1\n C C5 1 0.54720677 0.65984383 0.34291872 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50835000\n_cell_length_b 3.41714000\n_cell_length_c 6.78264000\n_cell_angle_alpha 111.87709000\n_cell_angle_beta 79.34499000\n_cell_angle_gamma 111.51703000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.11169596\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31770951 0.11877759 0.27743023 1\n C C1 1 0.15378324 0.62691673 0.11351949 1\n C C2 1 0.54988920 0.52268490 0.21729513 1\n C C3 1 1.04980839 1.02267605 0.71731566 1\n C C4 1 0.71398540 0.01467651 0.38128911 1\n C C5 1 0.81763333 0.61873978 0.77741726 1\n C C6 1 0.65368482 0.12682985 0.61351467 1\n C C7 1 0.21395992 0.51472499 0.88129195 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47979000\n_cell_length_b 2.56456000\n_cell_length_c 5.72595000\n_cell_angle_alpha 88.24763000\n_cell_angle_beta 77.52055000\n_cell_angle_gamma 89.98635000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53685007\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34597677 0.75138575 0.67539549 1\n C C1 1 0.77400217 0.75252922 0.81960078 1\n C C2 1 0.45986426 0.71557712 0.44110618 1\n C C3 1 0.11486975 0.22830325 0.13536923 1\n C C4 1 0.03306231 0.71492477 0.29599923 1\n C C5 1 0.69295194 0.23901729 0.98050278 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47880000\n_cell_length_b 4.12777000\n_cell_length_c 6.55811000\n_cell_angle_alpha 100.66185000\n_cell_angle_beta 67.75412000\n_cell_angle_gamma 90.04882000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.85842511\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65746169 0.87908224 0.63685187 1\n C C1 1 0.16062717 0.65973947 0.63384377 1\n C C2 1 0.18995712 0.82777824 0.10679662 1\n C C3 1 0.93659894 0.78384033 0.36129108 1\n C C4 1 0.23415566 0.16453643 0.05907606 1\n C C5 1 0.49663182 0.20779714 0.79801802 1\n C C6 1 0.42427858 0.57611551 0.37338928 1\n C C7 1 0.00420163 0.42394611 0.79119117 1\n C C8 1 0.77145883 0.63104833 1.02520379 1\n C C9 1 0.64241246 0.34709679 0.15127363 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48989000\n_cell_length_b 3.93639000\n_cell_length_c 5.95001000\n_cell_angle_alpha 82.42929000\n_cell_angle_beta 77.90812000\n_cell_angle_gamma 90.00056000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.50321730\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45806835 0.62283567 0.21320869 1\n C C1 1 0.48444822 -0.01083620 0.15946437 1\n C C2 1 -0.18379944 0.22592966 0.49117377 1\n C C3 1 0.71688835 0.92402751 0.69090747 1\n C C4 1 0.22107979 0.68891211 0.68216837 1\n C C5 1 0.93929389 0.13293836 0.25086573 1\n C C6 1 0.12410698 0.38659166 0.88152661 1\n C C7 1 0.32196197 0.46542824 0.48021433 1\n C C8 1 0.61886896 0.14806737 0.89248310 1\n C C9 1 0.00430475 0.47883971 0.12167526 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46279000\n_cell_length_b 3.39591000\n_cell_length_c 5.29639000\n_cell_angle_alpha 85.84364000\n_cell_angle_beta 90.00600000\n_cell_angle_gamma 111.25491000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.15785292\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05231453 0.65212000 0.67064447 1\n C C1 1 0.56753333 0.68322550 0.54362132 1\n C C2 1 0.60634060 0.75215248 0.26855311 1\n C C3 1 0.20167034 -0.05770469 0.14186994 1\n C C4 1 0.02404636 0.58707316 -0.05407876 1\n C C5 1 0.42970374 0.39745925 0.07195542 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46046000\n_cell_length_b 5.90243000\n_cell_length_c 9.21611000\n_cell_angle_alpha 63.00507000\n_cell_angle_beta 90.35646000\n_cell_angle_gamma 98.73308000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 117.57840362\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46022530 0.01277212 0.18600403 1\n C C1 1 0.55945776 0.43048136 0.20601229 1\n C C2 1 0.27626572 0.81482028 0.69358432 1\n C C3 1 0.77357305 0.81685897 0.59081322 1\n C C4 1 0.12315730 0.59691814 0.19361859 1\n C C5 1 0.60627953 0.55157471 0.60412372 1\n C C6 1 0.53629889 0.30079570 0.08849368 1\n C C7 1 0.38863342 1.06536243 0.70332194 1\n C C8 1 1.04166506 0.33190176 -0.01455846 1\n C C9 1 0.90047395 0.04412405 0.96398149 1\n C C10 1 0.90611025 1.01775398 0.41150531 1\n C C11 1 0.34545171 0.90814147 0.06187419 1\n C C12 1 -0.04866656 0.91598348 0.28888152 1\n C C13 1 0.46578618 0.18500400 0.38520823 1\n C C14 1 0.05566468 0.42429978 0.70387281 1\n C C15 1 1.12868825 0.53460907 0.81909799 1\n C C16 1 0.52041974 0.52198086 0.45606106 1\n C C17 1 0.45100391 0.24824160 0.52057102 1\n C C18 1 -0.07199741 0.13091738 0.77799676 1\n C C19 1 0.03250954 0.63547344 0.35078888 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48164000\n_cell_length_b 3.66554000\n_cell_length_c 5.57314000\n_cell_angle_alpha 109.26915000\n_cell_angle_beta 102.89635000\n_cell_angle_gamma 90.01974000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.49803839\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77983041 0.97693098 0.78175907 1\n C C1 1 0.51357937 0.45019349 0.24818557 1\n C C2 1 0.89718351 0.83741124 0.02332766 1\n C C3 1 0.27984658 0.21565451 0.78184718 1\n C C4 1 0.16544549 0.36439284 0.55711300 1\n C C5 1 0.66569118 0.60291688 0.55738978 1\n C C6 1 0.39706640 0.59799517 0.02311746 1\n C C7 1 0.01322767 0.21061579 0.24779869 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43993000\n_cell_length_b 4.18571000\n_cell_length_c 8.90942000\n_cell_angle_alpha 81.07770000\n_cell_angle_beta 97.83016000\n_cell_angle_gamma 90.00004000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 89.03059146\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56473122 0.53867124 0.99867108 1\n C C1 1 0.98206328 0.24634155 0.82578192 1\n C C2 1 0.44781364 1.19303475 0.75503656 1\n C C3 1 0.20822583 0.04122965 0.27995210 1\n C C4 1 0.36085862 0.56326934 0.55794431 1\n C C5 1 1.03914489 0.42958335 0.94600779 1\n C C6 1 0.61753942 0.75633918 1.10383881 1\n C C7 1 0.14428661 -0.13677851 0.15767839 1\n C C8 1 -0.16345411 1.07840347 0.52122589 1\n C C9 1 0.85568851 0.72356035 0.54867594 1\n C C10 1 0.36879780 0.20796880 0.58530669 1\n C C11 1 0.74475778 0.09304731 0.35108261 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47666000\n_cell_length_b 2.47622000\n_cell_length_c 10.35936000\n_cell_angle_alpha 89.99878000\n_cell_angle_beta 96.86798000\n_cell_angle_gamma 59.97505000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.47871358\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34005093 1.11273188 0.50781592 1\n C C1 1 0.97276642 0.79645251 0.45769740 1\n C C2 1 -0.09243818 0.32234044 0.85608860 1\n C C3 1 0.87224465 -0.15318749 0.30752868 1\n C C4 1 0.60825501 -0.02804865 0.90666373 1\n C C5 1 0.44069944 1.05949082 0.65581891 1\n C C6 1 0.06996521 0.24400246 0.10709074 1\n C C7 1 0.70357122 0.92709958 0.05650127 1\n C C8 1 0.80721914 0.37610487 0.70599093 1\n C C9 1 0.17194906 1.19686258 0.25700013 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51195000\n_cell_length_b 4.11256000\n_cell_length_c 4.18965000\n_cell_angle_alpha 60.59984000\n_cell_angle_beta 72.39653000\n_cell_angle_gamma 89.99210000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.36354174\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59129895 0.24816201 0.82651269 1\n C C1 1 0.78433783 -0.07687828 0.43826428 1\n C C2 1 0.59109273 0.87909860 0.82659313 1\n C C3 1 0.97781295 0.63613918 0.05036022 1\n C C4 1 0.97780613 0.26762507 1.05003372 1\n C C5 1 -0.21581179 0.59243211 0.43844266 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42936000\n_cell_length_b 4.07659000\n_cell_length_c 5.71036000\n_cell_angle_alpha 51.61211000\n_cell_angle_beta 82.33568000\n_cell_angle_gamma 93.14289000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.23615857\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03710575 0.44179040 0.92675088 1\n C C1 1 0.70361122 0.10897652 0.59436299 1\n C C2 1 0.37018067 0.77572341 0.26200428 1\n C C3 1 0.81435803 0.55305159 0.37232698 1\n C C4 1 0.14805148 0.88577646 0.70376953 1\n C C5 1 0.48107934 0.21931893 0.03766303 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41361000\n_cell_length_b 3.41434000\n_cell_length_c 4.92844000\n_cell_angle_alpha 69.12431000\n_cell_angle_beta 69.25230000\n_cell_angle_gamma 89.43918000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.74299888\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73811759 0.44659153 0.58602379 1\n C C1 1 0.30996925 0.85263451 0.08262097 1\n C C2 1 0.54477754 0.25385276 0.41912907 1\n C C3 1 0.20392855 0.59424634 0.41931630 1\n C C4 1 0.63264530 0.19033091 0.92264642 1\n C C5 1 0.80238394 0.36044411 0.08257190 1\n C C6 1 0.39731044 0.78761136 0.58599962 1\n C C7 1 0.14030658 0.68294318 0.92236723 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47001000\n_cell_length_b 6.78726000\n_cell_length_c 9.47246000\n_cell_angle_alpha 112.13884000\n_cell_angle_beta 108.45007000\n_cell_angle_gamma 87.66229000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 138.97577423\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57132335 1.02874590 0.92655559 1\n C C1 1 0.46696501 0.29500769 0.15491351 1\n C C2 1 1.08873466 0.62002557 0.37587043 1\n C C3 1 0.14303237 0.02130367 0.44823585 1\n C C4 1 0.35721388 0.77616775 0.19611069 1\n C C5 1 0.59239739 0.32681260 0.41946655 1\n C C6 1 0.21825236 -0.03016459 0.14338804 1\n C C7 1 0.51366978 0.60246422 0.80800767 1\n C C8 1 0.98268530 0.79353005 0.30294407 1\n C C9 1 0.03784842 0.19128213 0.37621701 1\n C C10 1 0.77060634 0.05225587 0.55769311 1\n C C11 1 0.31125618 0.74632337 0.57700286 1\n C C12 1 0.78711942 0.43760169 0.58988168 1\n C C13 1 0.81174093 0.27140040 0.04782744 1\n C C14 1 -0.09861723 0.28570784 0.68660799 1\n C C15 1 0.86535015 0.87902437 0.62202066 1\n C C16 1 0.54652054 0.47692520 0.32807101 1\n C C17 1 0.25010080 0.58608855 0.02793578 1\n C C18 1 0.71622883 0.43938410 0.97796592 1\n C C19 1 0.75152383 0.10131951 0.20288433 1\n C C20 1 0.10961229 0.69023321 0.90012084 1\n C C21 1 0.34258232 0.57213854 0.63932893 1\n C C22 1 1.11166753 0.92610236 -0.03991452 1\n C C23 1 0.51432287 0.36834620 0.79122326 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49098000\n_cell_length_b 3.59420000\n_cell_length_c 4.35127000\n_cell_angle_alpha 95.71778000\n_cell_angle_beta 73.35165000\n_cell_angle_gamma 110.34713000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99531498\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00826076 0.28676340 0.24532006 1\n C C1 1 0.63721097 0.54532726 0.24554668 1\n C C2 1 0.53279600 -0.08400742 0.82727695 1\n C C3 1 0.81899992 0.28638789 0.62176477 1\n C C4 1 0.44947307 0.54526666 0.62168068 1\n C C5 1 -0.07333734 0.91610691 0.03977776 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46136000\n_cell_length_b 5.64481000\n_cell_length_c 7.57178000\n_cell_angle_alpha 107.28967000\n_cell_angle_beta 89.99800000\n_cell_angle_gamma 102.60856000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 97.78800763\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35256701 0.08211969 0.16328546 1\n C C1 1 0.71419536 0.81717779 0.67794534 1\n C C2 1 0.54761968 0.48208654 0.92504561 1\n C C3 1 0.73964459 -0.13124187 0.47908911 1\n C C4 1 0.91426087 0.20839576 0.20415525 1\n C C5 1 0.61720660 0.61678816 0.31838530 1\n C C6 1 0.13968414 0.66780473 0.69471669 1\n C C7 1 0.31294117 0.01525428 0.47980733 1\n C C8 1 0.44539088 0.26978845 0.53465772 1\n C C9 1 0.01861720 0.41614883 0.53495149 1\n C C10 1 1.20917085 0.80287665 0.08802891 1\n C C11 1 1.04289217 0.46755160 0.33583605 1\n C C12 1 0.40705253 0.20303990 0.84976028 1\n C C13 1 0.84547902 0.07670596 0.80978141 1\n C C14 1 1.11371042 0.61274916 0.88073740 1\n C C15 1 0.64321500 0.67262124 0.13292315 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48219000\n_cell_length_b 3.84872000\n_cell_length_c 5.36293000\n_cell_angle_alpha 135.79119000\n_cell_angle_beta 90.01202000\n_cell_angle_gamma 89.99464000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.72380870\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26698752 0.22826355 1.09419395 1\n C C1 1 0.26706729 0.63867682 0.09499936 1\n C C2 1 0.76717480 0.87484906 0.33192286 1\n C C3 1 0.76707691 0.46477459 0.33103027 1\n C C4 1 0.76700325 0.43648725 0.59835074 1\n C C5 1 0.26707602 0.66640703 0.82771262 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49442000\n_cell_length_b 4.13408000\n_cell_length_c 6.40314000\n_cell_angle_alpha 71.10078000\n_cell_angle_beta 78.79473000\n_cell_angle_gamma 90.00804000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.13774512\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69957160 0.60502190 0.53195320 1\n C C1 1 0.58932962 0.31481460 0.74849313 1\n C C2 1 0.58984567 0.67944081 0.74796402 1\n C C3 1 0.26917852 0.67341936 0.39354428 1\n C C4 1 0.34938495 1.04286728 0.23257616 1\n C C5 1 1.03781881 0.12739855 0.85129971 1\n C C6 1 0.34946362 0.46475456 0.23223123 1\n C C7 1 1.03830768 0.76341223 0.85085817 1\n C C8 1 -0.07972278 0.50941338 0.08895487 1\n C C9 1 -0.07993619 0.14168053 0.08950903 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49034000\n_cell_length_b 3.59257000\n_cell_length_c 4.35537000\n_cell_angle_alpha 84.29167000\n_cell_angle_beta 73.34180000\n_cell_angle_gamma 69.71907000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01658209\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89672033 0.33077068 0.68890465 1\n C C1 1 0.34003316 0.07158435 0.06467280 1\n C C2 1 0.71025685 0.33061261 0.06472650 1\n C C3 1 0.52715184 1.07160744 0.68861770 1\n C C4 1 0.81472703 0.70085777 0.48295446 1\n C C5 1 0.42184699 0.70055254 0.27057928 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48264000\n_cell_length_b 3.74676000\n_cell_length_c 3.84054000\n_cell_angle_alpha 90.00217000\n_cell_angle_beta 89.98549000\n_cell_angle_gamma 89.99485000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.72414967\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74889523 -0.01356543 0.34876096 1\n C C1 1 0.74872741 0.71896282 0.05473485 1\n C C2 1 0.24882655 0.21500492 0.34870454 1\n C C3 1 0.74895119 0.71915511 0.64317255 1\n C C4 1 0.24885115 0.48263687 0.05431979 1\n C C5 1 0.24903097 0.48262450 0.64335430 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46742000\n_cell_length_b 3.38302000\n_cell_length_c 5.24467000\n_cell_angle_alpha 89.62679000\n_cell_angle_beta 89.98195000\n_cell_angle_gamma 111.36786000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.76860967\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04294550 0.85781627 0.03641853 1\n C C1 1 1.10906978 0.15599680 0.51116825 1\n C C2 1 0.14248355 0.23150373 0.23670678 1\n C C3 1 0.73187273 0.41081471 0.11161904 1\n C C4 1 0.58705224 0.11124523 0.63616095 1\n C C5 1 0.54661289 1.03661377 0.91107805 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43195000\n_cell_length_b 3.88005000\n_cell_length_c 6.85013000\n_cell_angle_alpha 106.04015000\n_cell_angle_beta 68.96107000\n_cell_angle_gamma 89.87075000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.60865418\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42590053 0.33890769 0.69254142 1\n C C1 1 0.25714816 0.17519052 0.86052167 1\n C C2 1 0.75714816 0.67519052 0.36052167 1\n C C3 1 0.67590283 0.08891362 -0.05745494 1\n C C4 1 0.17590283 0.58891362 0.44254506 1\n C C5 1 0.92590053 0.83890769 0.19254142 1\n C C6 1 0.50714586 0.92518458 1.11051803 1\n C C7 1 1.00714586 0.42518458 0.61051803 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47841000\n_cell_length_b 2.47855000\n_cell_length_c 6.78084000\n_cell_angle_alpha 111.42561000\n_cell_angle_beta 68.57226000\n_cell_angle_gamma 120.02456000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.69956927\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69066460 0.43647456 0.62387239 1\n C C1 1 0.52404813 0.60013970 0.87128899 1\n C C2 1 0.96523003 0.15451874 0.20567862 1\n C C3 1 1.07884446 1.04673501 0.54042483 1\n C C4 1 0.24283878 0.87727081 0.28959924 1\n C C5 1 0.13399461 0.98827749 0.95477183 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52303000\n_cell_length_b 4.30730000\n_cell_length_c 4.82210000\n_cell_angle_alpha 75.41218000\n_cell_angle_beta 66.38023000\n_cell_angle_gamma 85.32120000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.45486410\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68544695 0.06562875 0.47199049 1\n C C1 1 -0.14858251 1.24425889 0.13210709 1\n C C2 1 0.10379525 -0.13469487 0.59272519 1\n C C3 1 0.66079961 0.34727046 0.62437379 1\n C C4 1 0.63211792 0.57776446 0.16289404 1\n C C5 1 0.24249777 0.54749752 0.50367927 1\n C C6 1 0.71387984 0.83471069 0.93297850 1\n C C7 1 0.49413588 0.16805181 0.96452542 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45437000\n_cell_length_b 2.53267000\n_cell_length_c 6.86046000\n_cell_angle_alpha 82.12157000\n_cell_angle_beta 69.96442000\n_cell_angle_gamma 92.87049000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.46995966\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41791081 0.46209089 0.04648424 1\n C C1 1 0.36441057 0.17246821 0.60530899 1\n C C2 1 0.25593811 0.62883838 0.70914829 1\n C C3 1 1.02337784 0.52026844 0.93967213 1\n C C4 1 0.20005847 0.34149343 0.26799527 1\n C C5 1 0.59517871 0.28256225 0.37484398 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47822000\n_cell_length_b 2.47782000\n_cell_length_c 6.31180000\n_cell_angle_alpha 78.65453000\n_cell_angle_beta 89.98912000\n_cell_angle_gamma 59.96606000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67712201\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27367046 0.46499330 0.38770259 1\n C C1 1 0.19109768 0.63154352 0.13998966 1\n C C2 1 0.49589365 0.02196501 1.05624332 1\n C C3 1 0.41040101 0.19083274 0.80527617 1\n C C4 1 0.96748797 1.07657588 0.47102803 1\n C C5 1 0.04920983 0.91255775 0.72177963 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46912000\n_cell_length_b 5.18485000\n_cell_length_c 3.23518000\n_cell_angle_alpha 89.10812000\n_cell_angle_beta 67.50648000\n_cell_angle_gamma 90.00366000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.26050466\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00035668 0.38399877 0.60063296 1\n C C1 1 0.50764089 0.97514857 0.59045049 1\n C C2 1 1.00722011 0.12788472 0.59110252 1\n C C3 1 0.32276098 0.75475813 0.95816031 1\n C C4 1 0.49993005 0.53682217 0.60151297 1\n C C5 1 0.68517890 0.75594124 0.23432744 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51668000\n_cell_length_b 4.41866000\n_cell_length_c 5.38287000\n_cell_angle_alpha 80.30035000\n_cell_angle_beta 84.16362000\n_cell_angle_gamma 78.78272000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.72932767\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67982378 0.29638319 0.37180018 1\n C C1 1 1.07528095 0.50279878 0.95981029 1\n C C2 1 0.11855981 0.23465986 0.80760160 1\n C C3 1 0.90302043 -0.04248223 0.30720962 1\n C C4 1 0.48803412 0.88536426 0.15788819 1\n C C5 1 0.64875156 1.04213105 0.87920808 1\n C C6 1 0.12357468 0.37344174 0.51954015 1\n C C7 1 -0.01432313 0.71854068 0.53246249 1\n C C8 1 0.57020343 0.53155813 0.12484029 1\n C C9 1 -0.08701393 0.77138844 0.76572179 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48102000\n_cell_length_b 3.68973000\n_cell_length_c 4.84697000\n_cell_angle_alpha 111.57128000\n_cell_angle_beta 104.86093000\n_cell_angle_gamma 109.65331000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00791793\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63899360 0.38766639 0.73490868 1\n C C1 1 0.36528148 0.91454100 0.65999353 1\n C C2 1 0.34916792 0.67572206 0.86623853 1\n C C3 1 0.67801035 -0.03008678 0.23152600 1\n C C4 1 0.66195886 0.73105523 0.43803142 1\n C C5 1 0.38679808 0.25736119 0.36234994 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46323000\n_cell_length_b 3.39722000\n_cell_length_c 5.29624000\n_cell_angle_alpha 94.44515000\n_cell_angle_beta 89.99316000\n_cell_angle_gamma 111.24972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.16342609\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78573344 0.10915936 0.57596782 1\n C C1 1 0.60836075 0.75481266 0.77173922 1\n C C2 1 1.01380970 0.56454668 0.64573208 1\n C C3 1 0.63533669 0.81867186 0.04785401 1\n C C4 1 0.15057043 0.84966178 0.17410454 1\n C C5 1 0.18976770 0.91793136 0.45016603 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46308000\n_cell_length_b 4.24907000\n_cell_length_c 4.24835000\n_cell_angle_alpha 100.39247000\n_cell_angle_beta 89.98090000\n_cell_angle_gamma 89.97901000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.73297505\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04313844 0.24906542 0.61252362 1\n C C1 1 0.67419934 0.77670118 0.77447326 1\n C C2 1 0.42402723 0.26354734 0.12434670 1\n C C3 1 1.17432278 0.61289191 0.61052062 1\n C C4 1 0.54313422 0.14114974 0.77223995 1\n C C5 1 0.30162083 0.61517695 0.24661460 1\n C C6 1 0.92396440 0.12711100 0.26088252 1\n C C7 1 0.80152535 0.77488685 0.13882193 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48394000\n_cell_length_b 3.82500000\n_cell_length_c 6.93606000\n_cell_angle_alpha 48.09344000\n_cell_angle_beta 79.67779000\n_cell_angle_gamma 71.02262000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31161630\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51079233 0.16449769 0.07231103 1\n C C1 1 0.72283284 0.68016500 0.12899440 1\n C C2 1 0.33480959 0.35129281 0.23516522 1\n C C3 1 0.99901900 0.62950491 0.62811793 1\n C C4 1 0.96282880 0.42416176 0.90740569 1\n C C5 1 0.76129697 0.88547389 0.84966581 1\n C C6 1 0.38726211 0.95815692 0.52175578 1\n C C7 1 0.21337596 0.14484472 0.68463555 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48516000\n_cell_length_b 4.78153000\n_cell_length_c 4.67935000\n_cell_angle_alpha 87.75296000\n_cell_angle_beta 105.44448000\n_cell_angle_gamma 121.31203000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45650089\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10244807 0.82630485 0.80254957 1\n C C1 1 0.85211769 0.36186950 0.23063877 1\n C C2 1 0.47497540 0.65635134 0.88832867 1\n C C3 1 0.72215212 0.11972035 0.45793415 1\n C C4 1 0.06105531 0.30091821 0.77202220 1\n C C5 1 0.51508522 0.18222976 0.91641349 1\n C C6 1 -0.00184354 0.89396265 0.46080077 1\n C C7 1 0.57681634 0.58791395 0.22892588 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.88363000\n_cell_length_b 4.23018000\n_cell_length_c 6.02965000\n_cell_angle_alpha 81.51849000\n_cell_angle_beta 88.18390000\n_cell_angle_gamma 72.77479000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.57261632\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87859694 0.82973020 0.32720854 1\n C C1 1 0.25563646 0.23894381 0.75098174 1\n C C2 1 0.54835040 0.58325399 0.89778778 1\n C C3 1 0.60346281 1.00435569 0.15738311 1\n C C4 1 0.22798450 0.59394014 0.73447912 1\n C C5 1 0.67584259 0.09649714 0.74179670 1\n C C6 1 0.12887907 0.13690205 0.99022360 1\n C C7 1 0.74005535 0.20015242 0.96246071 1\n C C8 1 0.80805672 0.73642274 0.74491325 1\n C C9 1 0.23467472 0.59243272 0.26790445 1\n C C10 1 0.08894916 0.04550462 0.40919856 1\n C C11 1 0.93329036 0.25073176 0.58724413 1\n C C12 1 0.39224407 0.78812141 0.07682457 1\n C C13 1 0.24689124 0.24126562 0.21785633 1\n C C14 1 0.74178420 0.63450839 0.52252647 1\n C C15 1 0.35330930 0.69710140 0.49478564 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43215000\n_cell_length_b 3.21444000\n_cell_length_c 6.41411000\n_cell_angle_alpha 66.92198000\n_cell_angle_beta 78.97808000\n_cell_angle_gamma 72.68932000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.88397626\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77735091 1.01144161 0.19977565 1\n C C1 1 0.88666624 0.01393760 0.97756192 1\n C C2 1 0.55350245 0.01394823 0.64411122 1\n C C3 1 1.11051470 0.01143098 0.53322636 1\n C C4 1 0.44361388 0.01213776 0.86621907 1\n C C5 1 0.22040326 1.01324145 0.31111850 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48153000\n_cell_length_b 3.68861000\n_cell_length_c 4.89422000\n_cell_angle_alpha 67.06393000\n_cell_angle_beta 59.54429000\n_cell_angle_gamma 70.34506000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01637669\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52657911 0.45315358 0.14721641 1\n C C1 1 0.21177413 0.93608400 0.71888329 1\n C C2 1 0.23538343 0.29615074 1.01649818 1\n C C3 1 0.48601125 0.53791981 0.64389623 1\n C C4 1 0.51008280 0.89831762 -0.05934561 1\n C C5 1 0.19584078 0.38131976 0.51257440 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48117000\n_cell_length_b 3.68822000\n_cell_length_c 4.22187000\n_cell_angle_alpha 74.99798000\n_cell_angle_beta 89.98995000\n_cell_angle_gamma 70.33205000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97986818\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29258551 0.69355151 0.50911476 1\n C C1 1 0.51748463 0.24734979 0.71592440 1\n C C2 1 0.03786206 0.20680502 0.93746809 1\n C C3 1 0.71384202 0.85068793 0.63961410 1\n C C4 1 0.83844828 0.60393661 0.01353840 1\n C C5 1 0.26031649 0.76042314 0.14430735 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30868000\n_cell_length_b 3.78706000\n_cell_length_c 3.92298000\n_cell_angle_alpha 91.94518000\n_cell_angle_beta 74.22866000\n_cell_angle_gamma 84.07459000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.95354117\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72791162 0.22855739 -0.02893792 1\n C C1 1 0.67517711 0.17470651 0.62017584 1\n C C2 1 1.02547648 0.89391528 0.02046076 1\n C C3 1 1.10551840 0.04029521 0.37975549 1\n C C4 1 0.54179829 0.52138634 0.46015371 1\n C C5 1 0.30236857 0.34965682 0.23495400 1\n C C6 1 0.92768550 0.53167181 0.12670701 1\n C C7 1 0.35490193 0.88519223 0.63708150 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44938000\n_cell_length_b 5.22534000\n_cell_length_c 5.96565000\n_cell_angle_alpha 112.76386000\n_cell_angle_beta 114.19380000\n_cell_angle_gamma 90.02712000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.06328997\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54673579 0.79712936 0.23002397 1\n C C1 1 0.69142574 0.73175933 0.87438415 1\n C C2 1 0.23178756 0.58639816 0.91554683 1\n C C3 1 0.66830295 0.39272653 0.35072141 1\n C C4 1 0.45766097 0.82173849 0.64067276 1\n C C5 1 0.12116969 1.27704086 0.80506090 1\n C C6 1 0.78066940 0.70616271 0.46322370 1\n C C7 1 1.00546705 -0.05817973 0.18817109 1\n C C8 1 0.11731436 0.25151005 0.29897658 1\n C C9 1 0.56788111 0.13542652 0.75258541 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42983000\n_cell_length_b 5.73439000\n_cell_length_c 6.27664000\n_cell_angle_alpha 56.55205000\n_cell_angle_beta 92.46103000\n_cell_angle_gamma 99.56696000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.83138339\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83216044 0.15820860 0.21718356 1\n C C1 1 0.22921883 0.95794671 0.01757932 1\n C C2 1 0.43241780 0.35781021 0.41776733 1\n C C3 1 0.03025976 0.55827295 0.61714612 1\n C C4 1 0.76460719 0.02655062 1.08281997 1\n C C5 1 0.62772591 0.75670036 0.81835973 1\n C C6 1 0.36645066 0.22578511 0.28333753 1\n C C7 1 0.16166951 -0.17501343 0.88406772 1\n C C8 1 0.96551466 0.42588227 0.48348536 1\n C C9 1 0.56287723 0.62568961 0.68324317 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46688000\n_cell_length_b 3.37264000\n_cell_length_c 5.77327000\n_cell_angle_alpha 81.88221000\n_cell_angle_beta 64.88552000\n_cell_angle_gamma 68.83328000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.55367697\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03478014 0.71941352 0.25638972 1\n C C1 1 0.86885261 0.84926498 0.85811570 1\n C C2 1 0.26995418 0.79945917 -0.01784679 1\n C C3 1 0.10536162 0.92292394 0.58330616 1\n C C4 1 0.49770538 0.54281428 0.38143107 1\n C C5 1 0.64199107 0.09844751 0.45839604 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.95001000\n_cell_length_b 4.79928000\n_cell_length_c 5.20417000\n_cell_angle_alpha 56.49677000\n_cell_angle_beta 74.50710000\n_cell_angle_gamma 60.61235000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.67832499\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08752377 0.12052624 0.60805878 1\n C C1 1 0.91253350 0.61210982 0.60791662 1\n C C2 1 0.15646827 0.97225024 0.84949071 1\n C C3 1 -0.22495657 0.50313793 0.47266399 1\n C C4 1 0.78503891 -0.00688439 0.48427451 1\n C C5 1 0.15557194 0.27878005 0.84884505 1\n C C6 1 0.52531321 0.25805997 0.21478837 1\n C C7 1 0.39883667 0.13039304 0.09076965 1\n C C8 1 0.53569922 0.74791070 0.22625360 1\n C C9 1 0.39881803 0.63882461 0.09082211 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.06081000\n_cell_length_b 2.48758000\n_cell_length_c 5.29327000\n_cell_angle_alpha 90.05362000\n_cell_angle_beta 121.47218000\n_cell_angle_gamma 89.99569000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.60458111\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95761865 0.34353388 1.00736487 1\n C C1 1 0.38369594 0.34324758 0.23225653 1\n C C2 1 0.72732979 0.84368013 1.00228356 1\n C C3 1 0.37162723 0.84360729 0.65462439 1\n C C4 1 0.45844335 0.34338893 0.54014915 1\n C C5 1 0.96897672 0.84331415 0.58471953 1\n C C6 1 0.61403365 -0.15681209 0.23748844 1\n C C7 1 0.88194606 0.34342413 0.69911705 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43000000\n_cell_length_b 2.42992000\n_cell_length_c 8.48790000\n_cell_angle_alpha 81.21502000\n_cell_angle_beta 88.34702000\n_cell_angle_gamma 59.99115000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.82469274\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13921110 0.55042552 0.72869021 1\n C C1 1 0.43838492 1.03345315 0.39574138 1\n C C2 1 0.35830533 0.21104276 0.07003439 1\n C C3 1 0.77199135 0.36659332 0.39577692 1\n C C4 1 0.47215268 -0.11582487 0.72814891 1\n C C5 1 1.02523102 0.87745791 0.06985659 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48768000\n_cell_length_b 4.30670000\n_cell_length_c 4.30483000\n_cell_angle_alpha 59.99349000\n_cell_angle_beta 73.20046000\n_cell_angle_gamma 54.70242000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59670081\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91450012 0.26082270 0.77363398 1\n C C1 1 0.66447485 0.67763747 0.44016772 1\n C C2 1 -0.08549988 0.92748936 0.44030064 1\n C C3 1 0.66447485 0.01097080 0.77350106 1\n C C4 1 -0.08549988 0.59415603 1.10696731 1\n C C5 1 0.66447485 0.34430414 0.10683439 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40110000\n_cell_length_b 4.44309000\n_cell_length_c 5.25565000\n_cell_angle_alpha 50.08819000\n_cell_angle_beta 83.65874000\n_cell_angle_gamma 68.58136000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.85117301\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53059463 -0.04403797 0.57856643 1\n C C1 1 0.34813472 0.36885418 0.92909653 1\n C C2 1 0.74664946 0.24818796 0.79426084 1\n C C3 1 0.01764873 0.80303354 0.06144675 1\n C C4 1 0.41613964 0.68235071 -0.07329898 1\n C C5 1 0.59088052 0.33635816 0.49114455 1\n C C6 1 0.17269774 0.71517337 0.36457043 1\n C C7 1 0.94874918 0.57706733 0.66323274 1\n C C8 1 0.23342054 0.09526016 0.27707375 1\n C C9 1 0.81498084 0.47429786 0.19237096 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48274000\n_cell_length_b 5.22764000\n_cell_length_c 6.35575000\n_cell_angle_alpha 77.59247000\n_cell_angle_beta 106.40273000\n_cell_angle_gamma 69.16000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.23082837\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44899493 0.02913128 0.73827272 1\n C C1 1 0.29464563 0.66188371 0.64153999 1\n C C2 1 0.15075035 0.84218310 0.79514957 1\n C C3 1 0.36425967 1.05381350 0.29628996 1\n C C4 1 1.10471438 0.09903851 1.04254647 1\n C C5 1 0.04231033 0.85437836 0.38042725 1\n C C6 1 0.41416999 0.20764485 0.90091428 1\n C C7 1 0.35054679 0.32776366 0.37259768 1\n C C8 1 0.99647428 0.29494578 0.52190619 1\n C C9 1 0.04882298 0.65090914 0.21017541 1\n C C10 1 0.36599684 0.76432766 0.06474292 1\n C C11 1 0.96934602 0.47878215 0.67952695 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44297000\n_cell_length_b 4.19361000\n_cell_length_c 6.50268000\n_cell_angle_alpha 71.33405000\n_cell_angle_beta 100.80682000\n_cell_angle_gamma 89.99082000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.86588107\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75356829 0.90025879 0.70240859 1\n C C1 1 0.29825235 1.00829507 0.79277803 1\n C C2 1 0.62714149 -0.01683799 0.45792811 1\n C C3 1 0.41583429 0.92839956 0.03688670 1\n C C4 1 0.07296160 -0.02349498 0.35205656 1\n C C5 1 0.96881203 -0.06371906 0.14247315 1\n C C6 1 0.28378564 0.37306745 0.75294950 1\n C C7 1 0.77705272 0.53586886 0.74053696 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45150000\n_cell_length_b 3.45150000\n_cell_length_c 6.53164000\n_cell_angle_alpha 78.63829000\n_cell_angle_beta 78.63202000\n_cell_angle_gamma 76.17598000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.15019443\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97836997 -0.04399037 0.73764957 1\n C C1 1 0.86974958 0.18541719 0.52302619 1\n C C2 1 0.63547381 -0.05034829 0.41760470 1\n C C3 1 0.62848570 0.61993768 0.09044606 1\n C C4 1 0.25713100 0.57142867 0.71448107 1\n C C5 1 0.83384008 0.21113965 0.02684314 1\n C C6 1 0.19792875 0.19172432 0.85033748 1\n C C7 1 0.86455892 0.83985734 0.20285835 1\n C C8 1 0.24742569 0.24046435 0.37908269 1\n C C9 1 0.60648007 0.98442218 0.91403231 1\n C C10 1 0.57960112 0.57322280 0.56237120 1\n C C11 1 0.24938741 0.56182219 0.22658883 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45747000\n_cell_length_b 3.66253000\n_cell_length_c 6.48249000\n_cell_angle_alpha 79.43146000\n_cell_angle_beta 79.07483000\n_cell_angle_gamma 109.59230000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.01259961\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95197575 0.73752398 0.30053568 1\n C C1 1 0.06577878 0.25327719 0.58491207 1\n C C2 1 0.24318380 0.18342128 0.16232781 1\n C C3 1 0.77967388 0.34161020 0.24863015 1\n C C4 1 0.35957133 0.69997880 0.44689031 1\n C C5 1 0.92985836 0.21568237 0.82171955 1\n C C6 1 0.53140068 1.09636529 0.49791864 1\n C C7 1 0.37760452 0.21624819 0.92607318 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45639000\n_cell_length_b 3.61989000\n_cell_length_c 3.97948000\n_cell_angle_alpha 108.19702000\n_cell_angle_beta 99.34560000\n_cell_angle_gamma 99.34002000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.45139827\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31857174 0.54631073 0.56095629 1\n C C1 1 0.32035684 0.16614250 0.56263946 1\n C C2 1 1.01634903 0.51241321 0.25353850 1\n C C3 1 0.82166778 0.10429834 0.06001658 1\n C C4 1 1.01469360 -0.10738217 0.25185376 1\n C C5 1 0.51323671 0.95440559 0.75460192 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43220000\n_cell_length_b 4.20249000\n_cell_length_c 6.04575000\n_cell_angle_alpha 110.29286000\n_cell_angle_beta 98.98060000\n_cell_angle_gamma 90.00355000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.15131941\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19525854 0.61851284 0.67410085 1\n C C1 1 0.69533964 0.78576300 0.67409931 1\n C C2 1 0.94504324 0.32187815 0.17405433 1\n C C3 1 0.19533964 0.28576300 0.67409931 1\n C C4 1 0.69525854 0.11851284 0.67410085 1\n C C5 1 0.44496214 0.15462799 0.17405587 1\n C C6 1 0.44504324 0.82187815 0.17405433 1\n C C7 1 -0.05503786 0.65462799 0.17405587 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38277000\n_cell_length_b 2.46366000\n_cell_length_c 6.15876000\n_cell_angle_alpha 101.57810000\n_cell_angle_beta 111.79595000\n_cell_angle_gamma 111.18249000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.97917252\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16245884 0.21624919 0.95170559 1\n C C1 1 0.87010325 0.37027433 0.55079176 1\n C C2 1 0.36560585 0.45564705 0.22671358 1\n C C3 1 0.30650726 -0.01076645 0.35219708 1\n C C4 1 0.92815665 0.83624060 0.42492328 1\n C C5 1 0.07508976 0.60998638 0.82584311 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30210000\n_cell_length_b 3.36131000\n_cell_length_c 8.20156000\n_cell_angle_alpha 79.65268000\n_cell_angle_beta 112.70221000\n_cell_angle_gamma 85.96545000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.62921966\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36471399 0.91998066 0.67010918 1\n C C1 1 0.40920391 0.37196127 0.96126675 1\n C C2 1 -0.51378283 1.19965731 0.37258892 1\n C C3 1 0.00244825 0.28104878 0.65906447 1\n C C4 1 1.13976039 0.42938465 1.19051140 1\n C C5 1 1.07955482 0.05999879 0.96209714 1\n C C6 1 0.84207213 0.84267864 0.37260625 1\n C C7 1 0.35143196 0.66015286 1.07060578 1\n C C8 1 0.73997609 0.15685522 0.76780732 1\n C C9 1 0.80111867 0.76797827 0.19034815 1\n C C10 1 0.86322997 0.15365228 0.08167659 1\n C C11 1 0.32398938 0.87104993 0.48120777 1\n C C12 1 0.37825569 0.49236555 0.76744603 1\n C C13 1 0.67493149 0.51793839 0.47688394 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35709000\n_cell_length_b 4.44656000\n_cell_length_c 6.09789000\n_cell_angle_alpha 88.22159000\n_cell_angle_beta 92.57863000\n_cell_angle_gamma 62.83310000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.76593761\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.19754256 0.67389861 0.60582078 1\n C C1 1 0.27742466 0.54549549 0.71375272 1\n C C2 1 0.73161139 0.85157411 0.38568796 1\n C C3 1 0.22430588 0.58383148 0.27456630 1\n C C4 1 0.38075458 0.85122088 0.21522358 1\n C C5 1 0.94960089 0.18074358 0.17733855 1\n C C6 1 0.04343286 0.12956447 0.79046716 1\n C C7 1 0.73045414 0.35263118 0.59643095 1\n C C8 1 0.64855010 0.78047869 0.00814773 1\n C C9 1 0.28215191 0.32368912 0.89532200 1\n C C10 1 0.66131757 0.23671836 0.37472038 1\n C C11 1 0.43216845 0.79678162 0.77852931 1\n C C12 1 0.75042560 0.08710958 0.97176603 1\n C C13 1 1.03629433 0.46904543 0.08882975 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47953000\n_cell_length_b 3.68758000\n_cell_length_c 4.83829000\n_cell_angle_alpha 57.42296000\n_cell_angle_beta 75.18276000\n_cell_angle_gamma 70.33153000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.94848234\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40126281 -0.00375288 0.12947590 1\n C C1 1 0.18076298 0.23556655 0.33573444 1\n C C2 1 0.66137079 1.05271991 0.55789209 1\n C C3 1 0.86139119 0.57929862 0.63337139 1\n C C4 1 0.43986753 0.29157565 0.76432504 1\n C C5 1 0.97971690 0.70853335 0.26046743 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.72794000\n_cell_length_b 6.40306000\n_cell_length_c 5.57928000\n_cell_angle_alpha 66.98604000\n_cell_angle_beta 54.61317000\n_cell_angle_gamma 66.66424000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.23206259\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35010841 0.65648705 -0.08526016 1\n C C1 1 0.98888595 0.46858447 0.46537833 1\n C C2 1 0.24694452 0.23851845 0.43572105 1\n C C3 1 1.02232722 0.66784957 0.23226840 1\n C C4 1 -0.21866099 0.21473800 0.92714740 1\n C C5 1 0.38454428 0.85566205 0.68156435 1\n C C6 1 0.12688377 0.08541346 0.71094737 1\n C C7 1 0.67591231 0.45651627 0.78997486 1\n C C8 1 0.59213711 0.10906806 0.21960348 1\n C C9 1 0.69697662 0.86732802 0.35714813 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48097000\n_cell_length_b 3.68813000\n_cell_length_c 4.22085000\n_cell_angle_alpha 104.99212000\n_cell_angle_beta 89.92847000\n_cell_angle_gamma 109.66268000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97478074\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35130365 0.87078235 0.18621003 1\n C C1 1 0.92979032 1.02795966 1.05565375 1\n C C2 1 0.67048480 0.51405910 0.48394274 1\n C C3 1 -0.10767140 -0.04011638 0.69059644 1\n C C4 1 0.15048771 0.47348050 0.26229148 1\n C C5 1 0.47064951 0.11648117 0.55983635 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34399000\n_cell_length_b 6.72809000\n_cell_length_c 7.06656000\n_cell_angle_alpha 100.78227000\n_cell_angle_beta 100.06352000\n_cell_angle_gamma 101.74869000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 149.11824432\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.18061060 0.49005362 0.04989877 1\n C C1 1 0.15048176 0.36432307 0.37744393 1\n C C2 1 0.52525103 0.17702904 0.87108093 1\n C C3 1 0.56831793 0.83736646 0.21082180 1\n C C4 1 0.81362701 0.76314602 0.06519976 1\n C C5 1 0.55428001 0.50655363 0.51841179 1\n C C6 1 0.79229017 0.47576538 0.35319577 1\n C C7 1 0.95731310 0.98855888 1.02969095 1\n C C8 1 0.77396870 1.00542377 0.83018582 1\n C C9 1 1.15157773 0.69515745 0.17207719 1\n C C10 1 -0.15629249 0.49697472 0.70636871 1\n C C11 1 1.04656836 0.68452608 0.36550552 1\n C C12 1 0.74015368 0.40397323 0.87732306 1\n C C13 1 -0.22767129 0.82949318 0.41248175 1\n C C14 1 0.38590882 0.83573398 0.71040227 1\n C C15 1 0.70520183 0.05425601 0.18416242 1\n C C16 1 0.49143766 0.57194964 0.93348838 1\n C C17 1 0.39415916 0.15070410 0.07697374 1\n C C18 1 -0.00608383 0.04090676 0.51496163 1\n C C19 1 0.45467431 0.72567802 0.51395130 1\n C C20 1 -0.02599374 0.15853571 0.38338596 1\n C C21 1 0.14113747 0.03285814 0.71988317 1\n C C22 1 0.21675765 0.64094484 0.77868831 1\n C C23 1 0.36483347 0.36312997 0.19157889 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42941000\n_cell_length_b 2.61241000\n_cell_length_c 8.97689000\n_cell_angle_alpha 71.01338000\n_cell_angle_beta 81.77118000\n_cell_angle_gamma 89.67803000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.26751390\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64103690 0.26590320 0.14888363 1\n C C1 1 0.26952481 -0.31412412 0.90223664 1\n C C2 1 0.52546626 0.45325933 0.40022702 1\n C C3 1 0.55503611 1.03856501 0.32297349 1\n C C4 1 0.89619775 1.10653523 0.65565978 1\n C C5 1 0.18392764 0.39873385 0.06786269 1\n C C6 1 0.81011445 0.82828937 0.82163542 1\n C C7 1 0.43961348 0.23347812 0.57414633 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68795000\n_cell_length_b 2.48142000\n_cell_length_c 4.22003000\n_cell_angle_alpha 90.00017000\n_cell_angle_beta 105.00559000\n_cell_angle_gamma 109.64425000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96984815\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12479771 0.52124439 0.03975479 1\n C C1 1 0.67857440 0.29706184 0.83325895 1\n C C2 1 0.19175218 0.55182821 0.40439301 1\n C C3 1 0.63792897 0.77653630 0.61115680 1\n C C4 1 0.28124545 1.09950396 0.90903061 1\n C C5 1 0.03442399 -0.02693389 0.53467834 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.98223000\n_cell_length_b 4.78447000\n_cell_length_c 4.82732000\n_cell_angle_alpha 120.16302000\n_cell_angle_beta 90.38789000\n_cell_angle_gamma 106.94124000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.98204097\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95885158 0.59827095 0.72078467 1\n C C1 1 0.34906867 0.89853108 0.87025130 1\n C C2 1 0.58949690 0.89400657 0.36833231 1\n C C3 1 0.74658350 0.42388609 0.38387429 1\n C C4 1 0.55937015 0.07260897 0.20728988 1\n C C5 1 0.71016814 0.60084090 0.22156428 1\n C C6 1 0.55949004 0.07241507 0.70778561 1\n C C7 1 0.74732082 0.42402486 0.88319655 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28598000\n_cell_length_b 4.14787000\n_cell_length_c 4.14997000\n_cell_angle_alpha 69.22661000\n_cell_angle_beta 102.72261000\n_cell_angle_gamma 77.23381000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.73501662\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15026604 0.54255478 0.73504587 1\n C C1 1 0.74843326 0.89328928 0.07278480 1\n C C2 1 0.74817686 0.20601906 0.38351320 1\n C C3 1 0.77275173 0.54429811 0.42216183 1\n C C4 1 0.77208883 0.85686783 0.73294651 1\n C C5 1 1.08827252 0.03002207 0.24761836 1\n C C6 1 0.43234889 0.71993813 0.55847447 1\n C C7 1 0.36995308 1.20771795 0.07058376 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47500000\n_cell_length_b 3.69696000\n_cell_length_c 6.41434000\n_cell_angle_alpha 70.06696000\n_cell_angle_beta 78.85786000\n_cell_angle_gamma 90.00241000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.99652958\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77939394 0.34316636 0.85945427 1\n C C1 1 1.02320431 0.54054507 0.37028799 1\n C C2 1 0.34622192 0.40714842 0.72574709 1\n C C3 1 0.68805963 0.53055972 0.04317368 1\n C C4 1 0.11605278 0.94636419 0.18572343 1\n C C5 1 0.68734314 0.93724552 1.04413581 1\n C C6 1 1.11583082 0.35332225 0.18673522 1\n C C7 1 0.45547128 0.47659537 0.50456361 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47514000\n_cell_length_b 4.24887000\n_cell_length_c 3.72192000\n_cell_angle_alpha 116.00259000\n_cell_angle_beta 90.00774000\n_cell_angle_gamma 89.99502000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17959646\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54292679 0.10635694 0.71504294 1\n C C1 1 0.54313264 0.82859991 0.87196274 1\n C C2 1 0.04292340 0.60547243 0.26028117 1\n C C3 1 1.04293606 0.32765744 0.82526795 1\n C C4 1 0.04308009 0.60582700 0.66902140 1\n C C5 1 0.54286892 0.82837509 0.28056430 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47253000\n_cell_length_b 5.52388000\n_cell_length_c 6.72536000\n_cell_angle_alpha 99.33695000\n_cell_angle_beta 100.59866000\n_cell_angle_gamma 90.08469000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 89.04496631\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06204717 0.53997505 0.77176178 1\n C C1 1 -0.23790524 1.01649403 0.16078762 1\n C C2 1 0.95860113 0.50355684 0.56326936 1\n C C3 1 1.01928518 0.04395214 0.67388616 1\n C C4 1 0.81492039 0.80652684 0.27260747 1\n C C5 1 -0.37476542 0.60761340 0.89596986 1\n C C6 1 0.24797303 0.16171865 0.13270982 1\n C C7 1 0.12534346 0.02944252 0.89122879 1\n C C8 1 0.46967496 0.99006882 0.57708441 1\n C C9 1 0.64765820 0.89581386 0.93817939 1\n C C10 1 0.37791202 0.80409218 0.39826760 1\n C C11 1 0.74261462 0.55418014 0.12678403 1\n C C12 1 0.28032494 0.42960036 0.19986267 1\n C C13 1 0.39930395 0.52993177 0.44469874 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48153000\n_cell_length_b 3.69025000\n_cell_length_c 4.84511000\n_cell_angle_alpha 111.55296000\n_cell_angle_beta 104.85592000\n_cell_angle_gamma 109.66249000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01235033\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63082178 0.35718348 0.08928127 1\n C C1 1 0.37908255 0.22732937 0.71655445 1\n C C2 1 0.34035486 0.64498711 0.22050911 1\n C C3 1 0.35678379 0.88385647 0.01406767 1\n C C4 1 0.66987440 0.93924155 0.58561100 1\n C C5 1 0.65310592 0.70022702 0.79176371 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47219000\n_cell_length_b 3.22734000\n_cell_length_c 6.02666000\n_cell_angle_alpha 59.19753000\n_cell_angle_beta 78.21408000\n_cell_angle_gamma 67.56050000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.17186436\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31277148 0.73905713 0.18857511 1\n C C1 1 0.67533528 0.01803022 0.18694791 1\n C C2 1 0.00035206 0.73902254 0.81583271 1\n C C3 1 0.48663466 0.17158262 0.40715482 1\n C C4 1 0.50066313 0.58543788 0.96882453 1\n C C5 1 -0.01352051 0.01895950 0.55992611 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.78462000\n_cell_length_b 4.13174000\n_cell_length_c 4.80282000\n_cell_angle_alpha 83.26298000\n_cell_angle_beta 82.52425000\n_cell_angle_gamma 88.31405000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.94183482\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12065969 0.31599389 0.76439939 1\n C C1 1 0.24220314 0.18644586 0.51157944 1\n C C2 1 0.73337125 0.70823837 1.01813104 1\n C C3 1 0.48557237 -0.05408614 1.11043317 1\n C C4 1 0.85851405 0.58137304 0.76489180 1\n C C5 1 0.73089218 0.70832965 0.51040223 1\n C C6 1 0.48622779 0.94578035 0.41823436 1\n C C7 1 0.10869843 0.32465321 0.26520839 1\n C C8 1 0.24457159 0.18708212 1.01925893 1\n C C9 1 0.87078531 0.57295806 0.26423094 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45452000\n_cell_length_b 6.88326000\n_cell_length_c 5.28731000\n_cell_angle_alpha 112.39678000\n_cell_angle_beta 89.99959000\n_cell_angle_gamma 100.26366000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.04311936\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94667601 0.57283389 0.84941210 1\n C C1 1 0.86077496 0.40488368 0.54612137 1\n C C2 1 0.59874354 0.87891477 0.78455472 1\n C C3 1 0.21295360 0.11449297 0.61018062 1\n C C4 1 0.44786586 0.57516452 0.25965601 1\n C C5 1 0.67471877 0.03617285 1.07048041 1\n C C6 1 0.44693271 0.57277178 0.00396927 1\n C C7 1 -0.05212667 0.57567996 0.41440515 1\n C C8 1 1.03190626 0.74422171 0.71743543 1\n C C9 1 0.29240756 0.27045281 0.47825712 1\n C C10 1 0.67393729 1.03501187 0.65210134 1\n C C11 1 0.21356702 1.11538300 1.19171225 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.22855000\n_cell_length_b 4.67046000\n_cell_length_c 4.66719000\n_cell_angle_alpha 103.64589000\n_cell_angle_beta 102.66578000\n_cell_angle_gamma 112.61609000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.24102117\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72171110 1.16545338 0.85016507 1\n C C1 1 0.71788871 0.69146220 0.56343178 1\n C C2 1 0.71915768 -0.12085244 0.37742313 1\n C C3 1 0.72002265 0.16980458 0.53808645 1\n C C4 1 0.71557203 0.40528031 0.09090921 1\n C C5 1 0.71569994 0.40038224 0.40207532 1\n C C6 1 0.72021347 0.85294073 0.85494025 1\n C C7 1 0.71834731 0.71818149 0.08625259 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42857000\n_cell_length_b 4.16000000\n_cell_length_c 6.27993000\n_cell_angle_alpha 103.65974000\n_cell_angle_beta 101.20068000\n_cell_angle_gamma 90.09368000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.40124295\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86898432 0.98040672 0.42827384 1\n C C1 1 0.09182981 0.13131843 0.88256228 1\n C C2 1 0.55263207 0.61352509 0.81710289 1\n C C3 1 0.76592475 0.08036858 0.22313933 1\n C C4 1 0.06663529 0.46774681 0.84375021 1\n C C5 1 0.53691894 0.94606493 0.77326641 1\n C C6 1 1.21340743 0.12187431 0.12196505 1\n C C7 1 0.42146548 -0.05530367 0.53138708 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51169000\n_cell_length_b 4.18929000\n_cell_length_c 4.18976000\n_cell_angle_alpha 58.76201000\n_cell_angle_beta 72.36750000\n_cell_angle_gamma 72.37734000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.34449884\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87289045 0.25486692 0.32902325 1\n C C1 1 0.06597894 0.91049224 0.28532884 1\n C C2 1 0.25890417 0.23543457 0.57223697 1\n C C3 1 0.06606978 0.57975780 0.61612800 1\n C C4 1 0.87332200 0.62343749 0.96046879 1\n C C5 1 0.25923207 0.86668138 -0.05904705 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35656000\n_cell_length_b 3.45690000\n_cell_length_c 5.88494000\n_cell_angle_alpha 82.10134000\n_cell_angle_beta 64.50537000\n_cell_angle_gamma 89.24594000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.96992364\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33486191 0.35546188 0.78860813 1\n C C1 1 0.71097759 0.67365172 0.66894652 1\n C C2 1 0.64665389 -0.01259058 0.05866590 1\n C C3 1 0.18734966 1.10137622 0.22829100 1\n C C4 1 1.06147170 0.34936402 0.64850551 1\n C C5 1 -0.02046675 0.29378087 0.06155460 1\n C C6 1 0.91846268 0.72804751 0.37078017 1\n C C7 1 0.24448074 0.41569768 0.36456530 1\n C C8 1 0.68431787 0.03447947 0.78535538 1\n C C9 1 0.70202662 0.60942191 0.20661659 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45709000\n_cell_length_b 8.10984000\n_cell_length_c 7.00276000\n_cell_angle_alpha 48.56348000\n_cell_angle_beta 79.95404000\n_cell_angle_gamma 90.04400000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 101.72429035\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56689072 0.65138006 0.28589678 1\n C C1 1 0.29353120 0.83138008 0.82281963 1\n C C2 1 0.28250759 0.34535030 0.85269779 1\n C C3 1 0.55297562 0.16519559 0.31520646 1\n C C4 1 1.04374404 0.88816502 0.33224078 1\n C C5 1 0.50497183 0.43798151 0.41123795 1\n C C6 1 0.81486765 0.77997452 0.77875464 1\n C C7 1 1.03171713 0.21654700 0.35948144 1\n C C8 1 0.88532847 0.69210943 0.64400429 1\n C C9 1 0.59325736 1.03372083 0.23422310 1\n C C10 1 0.34491417 0.55881340 0.72680590 1\n C C11 1 0.10517999 0.78251043 0.21069681 1\n C C12 1 0.74481079 0.21424562 -0.07269376 1\n C C13 1 0.25655422 0.96302904 0.90363841 1\n C C14 1 0.80483179 0.10865016 0.80590772 1\n C C15 1 -0.03676036 0.30458890 0.49393706 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42334000\n_cell_length_b 4.19326000\n_cell_length_c 4.19118000\n_cell_angle_alpha 86.94488000\n_cell_angle_beta 90.05237000\n_cell_angle_gamma 89.96041000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.52893069\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02417126 0.44341845 0.37913396 1\n C C1 1 0.52407521 0.94326321 0.47399402 1\n C C2 1 0.52414474 0.59710010 0.41501147 1\n C C3 1 0.52360612 1.00423574 0.82012031 1\n C C4 1 0.02363740 0.03570338 0.97414046 1\n C C5 1 0.02377418 0.09724671 0.32019738 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48488000\n_cell_length_b 4.08738000\n_cell_length_c 4.67927000\n_cell_angle_alpha 83.32073000\n_cell_angle_beta 74.52337000\n_cell_angle_gamma 89.99680000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.46768561\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03602617 0.53585113 -0.02432078 1\n C C1 1 0.35264232 0.00470458 0.20459983 1\n C C2 1 0.69566782 0.59762958 0.51687219 1\n C C3 1 0.63596385 0.24176708 0.63313321 1\n C C4 1 -0.14605192 0.77848868 0.20216422 1\n C C5 1 0.12316180 0.71681973 0.66080758 1\n C C6 1 0.18032584 0.07227560 0.54667628 1\n C C7 1 0.46471905 0.31121522 0.97389757 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54025000\n_cell_length_b 2.47137000\n_cell_length_c 8.11146000\n_cell_angle_alpha 89.98177000\n_cell_angle_beta 72.42518000\n_cell_angle_gamma 89.95546000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.54599522\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.09390115 0.76004028 0.84694773 1\n C C1 1 0.37905377 0.25993551 1.06762973 1\n C C2 1 0.81493840 0.26030196 0.61747477 1\n C C3 1 -0.08345744 0.76038500 0.51420452 1\n C C4 1 0.48192717 0.75993112 0.96438765 1\n C C5 1 0.09988680 0.76037971 0.33704662 1\n C C6 1 0.20247546 0.26016248 0.73524017 1\n C C7 1 0.19501139 0.26030194 0.24482511 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46782000\n_cell_length_b 6.47380000\n_cell_length_c 9.23646000\n_cell_angle_alpha 66.33099000\n_cell_angle_beta 66.18972000\n_cell_angle_gamma 78.89038000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 123.56466583\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79370102 0.66580406 0.63404063 1\n C C1 1 0.72403319 0.37475532 0.11118491 1\n C C2 1 0.28345483 0.61311849 0.32968228 1\n C C3 1 0.67498307 -0.02826751 -0.05552954 1\n C C4 1 0.77394878 0.41731874 0.73057622 1\n C C5 1 0.20345239 0.07562390 0.89075220 1\n C C6 1 0.58499004 0.17821763 0.60461611 1\n C C7 1 0.66788678 0.64657810 0.39455400 1\n C C8 1 0.54793570 0.57277977 0.82683372 1\n C C9 1 0.32988342 0.28530453 0.73741266 1\n C C10 1 0.19699379 0.24382421 0.17357063 1\n C C11 1 0.41050793 0.74583218 0.53008964 1\n C C12 1 0.43596471 1.00506531 0.42756245 1\n C C13 1 1.19175610 0.12542446 0.55114035 1\n C C14 1 0.68495856 0.73187361 0.01754360 1\n C C15 1 0.53670429 0.57366065 0.17290837 1\n C C16 1 0.05562627 0.07505407 0.32423266 1\n C C17 1 0.90098611 0.56859077 0.92549792 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48825000\n_cell_length_b 4.30399000\n_cell_length_c 4.30640000\n_cell_angle_alpha 99.58936000\n_cell_angle_beta 106.79140000\n_cell_angle_gamma 89.99021000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47943877\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50756339 0.21036855 0.27661754 1\n C C1 1 0.56938286 0.89771260 0.40156311 1\n C C2 1 1.00756339 0.71036855 0.27661754 1\n C C3 1 0.25756339 0.46036855 0.77661754 1\n C C4 1 0.31938286 0.14771260 0.90156311 1\n C C5 1 0.06938286 0.39771260 0.40156311 1\n C C6 1 0.75756339 -0.03963145 0.77661754 1\n C C7 1 0.81938286 0.64771260 0.90156311 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48414000\n_cell_length_b 2.49243000\n_cell_length_c 8.26850000\n_cell_angle_alpha 63.58213000\n_cell_angle_beta 89.99953000\n_cell_angle_gamma 89.99531000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.84867379\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74668804 0.28608079 0.93137605 1\n C C1 1 0.74572792 0.30644349 0.57606599 1\n C C2 1 0.74537134 0.98619390 0.45331632 1\n C C3 1 0.24550133 0.14918743 0.34566502 1\n C C4 1 0.74665125 0.60652007 0.05426328 1\n C C5 1 0.24653015 0.45906830 0.81337525 1\n C C6 1 0.24651682 0.44394612 0.16144545 1\n C C7 1 0.24598944 1.13451190 0.69386203 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48500000\n_cell_length_b 4.78108000\n_cell_length_c 4.67959000\n_cell_angle_alpha 76.27116000\n_cell_angle_beta 74.58477000\n_cell_angle_gamma 58.65476000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44277628\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06135820 0.62737760 0.02808397 1\n C C1 1 -0.29369557 0.86923213 0.25603127 1\n C C2 1 0.78918394 0.40121571 0.02595366 1\n C C3 1 0.97845315 0.09547489 0.25855950 1\n C C4 1 0.03868501 0.80733775 0.71437776 1\n C C5 1 1.02821051 0.33279585 0.68537520 1\n C C6 1 0.72984172 0.68864824 0.56961726 1\n C C7 1 0.74050284 0.16290952 0.59966679 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43076000\n_cell_length_b 4.09926000\n_cell_length_c 9.42115000\n_cell_angle_alpha 103.65981000\n_cell_angle_beta 97.31459000\n_cell_angle_gamma 53.27316000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.10082767\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04967521 0.64194068 0.18520818 1\n C C1 1 0.54885499 0.24262814 0.58531126 1\n C C2 1 0.74914841 0.44072726 0.38498224 1\n C C3 1 0.74807755 0.77623628 1.05202540 1\n C C4 1 0.54870291 0.57710352 0.25219476 1\n C C5 1 0.94895970 0.97546981 0.85190803 1\n C C6 1 0.14969591 0.84046166 0.98492650 1\n C C7 1 0.14735240 0.17803986 0.65233114 1\n C C8 1 0.34960620 0.04136354 0.78508852 1\n C C9 1 1.34770054 0.37601164 0.45200008 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48742000\n_cell_length_b 2.48737000\n_cell_length_c 8.24113000\n_cell_angle_alpha 81.32598000\n_cell_angle_beta 90.00618000\n_cell_angle_gamma 59.98441000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47549737\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59346321 0.46685555 0.94369227 1\n C C1 1 -0.15654327 0.96649971 0.69369388 1\n C C2 1 0.90580122 0.84213508 0.88162107 1\n C C3 1 0.09318490 0.46699049 0.44367111 1\n C C4 1 0.34353038 -0.03332324 0.19366036 1\n C C5 1 0.40555052 0.84231212 0.38158756 1\n C C6 1 1.15576947 0.34182134 0.63161033 1\n C C7 1 0.65591284 0.34195628 0.13158917 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43054000\n_cell_length_b 4.09611000\n_cell_length_c 5.76069000\n_cell_angle_alpha 128.70711000\n_cell_angle_beta 96.55781000\n_cell_angle_gamma 93.82512000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.75056826\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32084763 0.00213861 0.01477144 1\n C C1 1 0.43290255 0.44608703 0.23836113 1\n C C2 1 0.98736352 0.66905194 0.34793007 1\n C C3 1 1.09884927 0.11343272 0.56962639 1\n C C4 1 0.76606968 0.77976134 -0.09617578 1\n C C5 1 0.65340705 0.33602736 0.67959756 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.96009000\n_cell_length_b 5.65859000\n_cell_length_c 6.20287000\n_cell_angle_alpha 59.34702000\n_cell_angle_beta 85.25721000\n_cell_angle_gamma 97.82982000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.12457444\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98590923 0.13055063 0.92743920 1\n C C1 1 0.53581483 0.72516567 0.38993672 1\n C C2 1 1.24310130 0.90573492 0.67520067 1\n C C3 1 0.79195640 0.85863522 0.13019582 1\n C C4 1 0.22236439 0.15141700 0.70324237 1\n C C5 1 0.63079540 0.40334397 0.29452246 1\n C C6 1 -0.07373412 0.33223802 -0.01258135 1\n C C7 1 1.03207563 0.63616653 0.88469579 1\n C C8 1 0.43224018 0.42119189 0.49292268 1\n C C9 1 0.83348586 0.65415136 0.08307411 1\n C C10 1 0.67045110 0.19868522 0.24736829 1\n C C11 1 0.47745660 0.92675188 0.45030284 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51464000\n_cell_length_b 3.31976000\n_cell_length_c 4.83515000\n_cell_angle_alpha 133.37672000\n_cell_angle_beta 111.30790000\n_cell_angle_gamma 89.99126000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.51695126\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83863025 0.34557324 0.91910485 1\n C C1 1 0.37470124 -0.08219178 -0.00827999 1\n C C2 1 0.37454796 0.27999804 0.68711412 1\n C C3 1 0.07082387 -0.05310203 0.68758216 1\n C C4 1 0.83867651 0.31652153 0.22387438 1\n C C5 1 0.14253298 0.98312820 0.22329568 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43930000\n_cell_length_b 5.73711000\n_cell_length_c 5.66149000\n_cell_angle_alpha 113.08892000\n_cell_angle_beta 90.05304000\n_cell_angle_gamma 102.22680000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 70.91872837\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57484739 0.88640889 0.46301432 1\n C C1 1 0.66487129 1.06668757 0.32545262 1\n C C2 1 0.03563598 0.80615725 0.51884552 1\n C C3 1 0.94509149 0.62121501 0.65061551 1\n C C4 1 1.03208234 0.79783293 0.92967348 1\n C C5 1 0.57478740 0.88493598 1.04919019 1\n C C6 1 0.36743347 0.46623372 0.57068100 1\n C C7 1 0.24262145 0.22264014 0.40228966 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48710000\n_cell_length_b 4.67011000\n_cell_length_c 6.43747000\n_cell_angle_alpha 66.27273000\n_cell_angle_beta 67.27430000\n_cell_angle_gamma 57.80973000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.48413257\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.33560803 -0.11801586 0.15192610 1\n C C1 1 0.75092513 0.40685014 0.71191256 1\n C C2 1 0.30322162 0.39185370 0.17426252 1\n C C3 1 0.62712031 0.83562421 0.90675164 1\n C C4 1 0.93703311 0.18916877 0.24350683 1\n C C5 1 -0.11940075 0.98435945 0.50544277 1\n C C6 1 0.36078097 0.59567771 0.91308120 1\n C C7 1 0.61436017 0.74455237 0.51149839 1\n C C8 1 0.90423807 0.69926128 0.26589529 1\n C C9 1 0.49031292 1.17336232 0.70585029 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47789000\n_cell_length_b 2.47841000\n_cell_length_c 6.77910000\n_cell_angle_alpha 89.98519000\n_cell_angle_beta 68.57465000\n_cell_angle_gamma 59.97745000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68357294\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80838937 0.37376548 0.72095512 1\n C C1 1 0.36746637 0.09424890 0.30256101 1\n C C2 1 0.47919883 0.53898439 0.96820160 1\n C C3 1 0.58678382 0.98381377 0.63751245 1\n C C4 1 0.92252850 0.81598987 0.38657071 1\n C C5 1 0.70117541 0.92794290 0.05164721 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52879000\n_cell_length_b 4.97991000\n_cell_length_c 4.22298000\n_cell_angle_alpha 86.30610000\n_cell_angle_beta 72.08920000\n_cell_angle_gamma 71.46709000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.94632118\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12782015 0.30323277 -0.03805009 1\n C C1 1 0.28585756 0.83391637 0.27707121 1\n C C2 1 0.11370037 0.58214954 0.81427891 1\n C C3 1 0.96932548 0.08949760 0.49161503 1\n C C4 1 0.83254350 0.33292016 0.32148808 1\n C C5 1 0.87627998 0.83830411 1.03827820 1\n C C6 1 -0.21290549 0.11666629 0.85372591 1\n C C7 1 0.40503025 0.58029517 0.47570046 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48193000\n_cell_length_b 3.84617000\n_cell_length_c 3.74198000\n_cell_angle_alpha 90.05137000\n_cell_angle_beta 90.00931000\n_cell_angle_gamma 90.01808000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.72064273\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67614305 0.82766683 0.34441633 1\n C C1 1 0.17613690 0.12305113 0.84852505 1\n C C2 1 0.67607293 0.53264326 0.61084206 1\n C C3 1 0.17610606 0.53281355 0.84813011 1\n C C4 1 0.67611590 0.12282796 0.61125137 1\n C C5 1 0.17610156 0.82792507 0.11511728 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48240000\n_cell_length_b 3.68782000\n_cell_length_c 4.89626000\n_cell_angle_alpha 66.87045000\n_cell_angle_beta 59.54330000\n_cell_angle_gamma 70.32848000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99391309\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16737976 0.28903888 0.64640532 1\n C C1 1 0.19255711 0.64540026 -0.05594348 1\n C C2 1 0.20862911 0.19946330 0.15088966 1\n C C3 1 0.87629202 0.13221528 0.51584101 1\n C C4 1 0.91760343 0.04254414 0.02035684 1\n C C5 1 -0.10746463 0.68627374 0.72261564 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48730000\n_cell_length_b 4.67049000\n_cell_length_c 6.25446000\n_cell_angle_alpha 70.54294000\n_cell_angle_beta 90.00409000\n_cell_angle_gamma 122.18618000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.52967571\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92274799 0.85617213 0.30952394 1\n C C1 1 0.40241905 -0.16301859 0.71675482 1\n C C2 1 0.66911510 0.60326060 0.71096074 1\n C C3 1 -0.34373601 0.08993729 0.31530587 1\n C C4 1 0.53333142 0.46623610 0.51033962 1\n C C5 1 0.34619763 -0.22011961 0.97863006 1\n C C6 1 0.79366034 0.22666468 0.51607767 1\n C C7 1 0.97912814 0.91315974 0.04778306 1\n C C8 1 0.94818136 0.38092848 1.06993682 1\n C C9 1 0.37922698 0.31233336 -0.04405310 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52682000\n_cell_length_b 4.70900000\n_cell_length_c 4.29556000\n_cell_angle_alpha 68.45466000\n_cell_angle_beta 85.06089000\n_cell_angle_gamma 78.24426000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.53992371\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25230411 0.02053639 0.06737816 1\n C C1 1 0.53471858 0.55269841 0.82872373 1\n C C2 1 0.91019033 0.22097192 0.53202155 1\n C C3 1 1.05791495 0.99388304 0.42070341 1\n C C4 1 0.00102547 0.67226642 0.61308632 1\n C C5 1 0.96799588 0.54257196 0.33989277 1\n C C6 1 0.43428841 0.66177664 0.12411845 1\n C C7 1 0.71535557 0.19358631 0.88563750 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48859000\n_cell_length_b 3.51749000\n_cell_length_c 4.30644000\n_cell_angle_alpha 65.90748000\n_cell_angle_beta 73.20346000\n_cell_angle_gamma 89.99698000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.64356768\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01434605 0.05505919 0.26168751 1\n C C1 1 0.68063200 0.72169812 0.92838343 1\n C C2 1 0.34748301 0.38836572 0.59503182 1\n C C3 1 0.18065819 0.97162909 -0.07157979 1\n C C4 1 0.51437224 0.30499017 0.26172429 1\n C C5 1 0.84752123 0.63832257 0.59507590 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48002000\n_cell_length_b 3.68529000\n_cell_length_c 4.89834000\n_cell_angle_alpha 113.18588000\n_cell_angle_beta 120.44697000\n_cell_angle_gamma 70.41372000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.95378324\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92516170 0.26291585 0.47252128 1\n C C1 1 0.94183164 0.81654504 0.26562491 1\n C C2 1 0.62605615 0.30370706 0.69386487 1\n C C3 1 0.65005858 0.65990537 0.39611810 1\n C C4 1 0.60999569 0.74977472 0.90087200 1\n C C5 1 0.90053284 0.90688257 0.77011315 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48116000\n_cell_length_b 3.68796000\n_cell_length_c 4.21842000\n_cell_angle_alpha 75.06948000\n_cell_angle_beta 89.95560000\n_cell_angle_gamma 70.36775000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97255314\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47281707 0.08779145 0.19175673 1\n C C1 1 0.21633980 0.60197044 0.62023809 1\n C C2 1 -0.00711044 1.04763610 0.41403273 1\n C C3 1 0.25199584 0.53300506 -0.01472039 1\n C C4 1 0.67346896 0.69044205 0.11574614 1\n C C5 1 0.79454688 0.44561450 0.48926960 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.48926000\n_cell_length_b 3.33684000\n_cell_length_c 8.15385000\n_cell_angle_alpha 96.94839000\n_cell_angle_beta 97.83517000\n_cell_angle_gamma 132.70098000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.01927061\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46365616 0.82395326 1.02183715 1\n C C1 1 0.70545134 0.74438758 1.12603985 1\n C C2 1 0.43546687 -0.14635649 0.57131371 1\n C C3 1 0.04935837 1.21396430 0.90524854 1\n C C4 1 0.40534737 1.04375477 0.73950107 1\n C C5 1 0.98399010 0.29096761 0.46532687 1\n C C6 1 0.70660276 1.21013335 0.90496267 1\n C C7 1 0.01560925 0.09135499 0.30240958 1\n C C8 1 0.37549439 1.10526007 0.12569863 1\n C C9 1 0.95559686 0.81364895 1.01069167 1\n C C10 1 0.79581812 -0.14354060 0.57272187 1\n C C11 1 0.63409221 0.29639166 0.46593068 1\n C C12 1 0.10475855 0.05486927 0.73990724 1\n C C13 1 0.32960464 0.11203790 0.30271826 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43011000\n_cell_length_b 3.98625000\n_cell_length_c 5.76090000\n_cell_angle_alpha 127.17941000\n_cell_angle_beta 102.09673000\n_cell_angle_gamma 90.01930000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.89459011\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66033203 0.39653075 0.01726725 1\n C C1 1 0.77271316 0.84033550 0.24156281 1\n C C2 1 0.99363353 0.72992827 0.68428796 1\n C C3 1 0.32741239 0.06302811 0.35130828 1\n C C4 1 0.10568695 1.17395565 -0.09236994 1\n C C5 1 0.43918904 0.50708462 0.57511664 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43158000\n_cell_length_b 3.10255000\n_cell_length_c 8.39907000\n_cell_angle_alpha 113.41695000\n_cell_angle_beta 89.99961000\n_cell_angle_gamma 91.18717000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.12979875\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88577094 0.25753351 0.13849605 1\n C C1 1 0.88566549 0.25409872 0.97130075 1\n C C2 1 0.88514855 0.25008619 0.63723821 1\n C C3 1 0.38513721 0.25085389 0.72085416 1\n C C4 1 0.38583261 0.25980075 0.22228261 1\n C C5 1 0.38525944 0.25668440 0.38831902 1\n C C6 1 0.88520180 0.25568728 0.47170618 1\n C C7 1 0.38557798 1.25046526 0.88732751 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50386000\n_cell_length_b 4.30133000\n_cell_length_c 6.85523000\n_cell_angle_alpha 82.64662000\n_cell_angle_beta 76.58610000\n_cell_angle_gamma 95.81917000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.56503385\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60453359 0.64051282 0.06818837 1\n C C1 1 1.09327380 1.07480106 0.53454461 1\n C C2 1 0.27563944 0.42586105 0.52156566 1\n C C3 1 0.17358674 0.45686542 0.76086722 1\n C C4 1 0.67482107 0.61870670 0.82898468 1\n C C5 1 0.03477644 0.48382599 0.18119255 1\n C C6 1 0.08301079 0.11466013 0.18218876 1\n C C7 1 0.94368942 0.13737337 0.86221376 1\n C C8 1 0.87888484 0.57033809 0.40355882 1\n C C9 1 -0.02750844 0.92725026 0.38129887 1\n C C10 1 0.67504902 1.00852021 1.07128409 1\n C C11 1 -0.12351119 0.94097390 0.73275291 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48772000\n_cell_length_b 3.51705000\n_cell_length_c 4.97351000\n_cell_angle_alpha 89.99141000\n_cell_angle_beta 89.98309000\n_cell_angle_gamma 89.99065000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.51540262\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90301010 -0.09215207 0.25066902 1\n C C1 1 0.40297757 1.15707316 0.25066053 1\n C C2 1 0.40298504 0.40787617 0.50061409 1\n C C3 1 -0.09700303 0.65707926 0.00061699 1\n C C4 1 -0.09704036 0.65704084 0.50060618 1\n C C5 1 0.90297114 0.90783358 0.75057346 1\n C C6 1 0.40294102 1.15706412 0.75055411 1\n C C7 1 0.40302782 0.40780274 1.00061872 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43695000\n_cell_length_b 4.68958000\n_cell_length_c 4.68600000\n_cell_angle_alpha 75.44937000\n_cell_angle_beta 105.00794000\n_cell_angle_gamma 74.90403000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.93475248\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76119540 0.01080800 0.54461846 1\n C C1 1 0.49031232 0.53687812 0.53418445 1\n C C2 1 0.62715883 0.74323068 1.01386796 1\n C C3 1 0.30260647 0.56631336 0.19057066 1\n C C4 1 0.49038173 0.22287038 0.22076600 1\n C C5 1 0.42112486 0.79770623 0.65297164 1\n C C6 1 0.76081178 0.21321238 -0.25320216 1\n C C7 1 0.42098572 0.10373495 -0.03970060 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.97733000\n_cell_length_b 3.63445000\n_cell_length_c 4.51505000\n_cell_angle_alpha 101.70577000\n_cell_angle_beta 102.87474000\n_cell_angle_gamma 108.00901000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.30551210\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30900155 0.30524396 0.02494727 1\n C C1 1 0.30687129 0.92303544 1.02336156 1\n C C2 1 0.80338402 0.36189829 0.52427322 1\n C C3 1 0.61085494 0.57721632 0.33320578 1\n C C4 1 0.61277544 0.95936356 0.33497429 1\n C C5 1 0.11522935 0.52040213 0.83417678 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46287000\n_cell_length_b 4.98744000\n_cell_length_c 6.30786000\n_cell_angle_alpha 71.69477000\n_cell_angle_beta 101.23239000\n_cell_angle_gamma 89.94518000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.99137754\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02331608 0.22046283 0.09449980 1\n C C1 1 0.18826538 0.94985373 0.50959533 1\n C C2 1 0.61472889 0.42796006 0.36407136 1\n C C3 1 0.18079745 0.30273342 0.49490198 1\n C C4 1 0.75164317 0.84915609 0.63619360 1\n C C5 1 0.54708093 0.75807570 0.23402836 1\n C C6 1 0.29805985 0.28719156 0.73275378 1\n C C7 1 0.43397359 0.69128745 0.00052367 1\n C C8 1 0.49829816 0.36983559 0.13652469 1\n C C9 1 0.86647975 0.77113821 0.86496923 1\n C C10 1 -0.14441366 0.24804600 0.84715736 1\n C C11 1 0.06253847 -0.08286457 0.26690843 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48120000\n_cell_length_b 3.68908000\n_cell_length_c 4.21567000\n_cell_angle_alpha 75.22530000\n_cell_angle_beta 90.00324000\n_cell_angle_gamma 70.35912000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98454119\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80944535 0.26417095 -0.08754521 1\n C C1 1 0.77719538 0.33499200 0.54745866 1\n C C2 1 0.03356787 0.81880598 0.11876153 1\n C C3 1 0.55257115 0.78050390 0.34125690 1\n C C4 1 0.23091534 0.42128975 0.04329300 1\n C C5 1 0.35538251 0.17857732 0.41630791 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43035000\n_cell_length_b 4.88811000\n_cell_length_c 6.07524000\n_cell_angle_alpha 43.79361000\n_cell_angle_beta 66.29049000\n_cell_angle_gamma 60.07488000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18264174\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40607250 1.06749519 0.63715224 1\n C C1 1 0.75049439 0.21065699 0.65158455 1\n C C2 1 0.33346431 0.21154887 1.06511541 1\n C C3 1 0.82113721 0.06829725 0.22274205 1\n C C4 1 0.76114691 0.77542169 0.57615601 1\n C C5 1 0.39644057 0.50394000 0.71197583 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.53381000\n_cell_length_b 4.93726000\n_cell_length_c 5.88591000\n_cell_angle_alpha 75.41075000\n_cell_angle_beta 51.41431000\n_cell_angle_gamma 62.78367000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.30347155\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45871887 0.46353821 0.36651404 1\n C C1 1 0.43074761 0.49423373 0.13576427 1\n C C2 1 -0.03259261 0.95434596 0.39091887 1\n C C3 1 -0.46549602 0.38487185 0.73900221 1\n C C4 1 1.21036420 0.70686250 0.75117419 1\n C C5 1 0.10629087 0.81645366 0.14795877 1\n C C6 1 0.66162244 0.26009221 -0.06283096 1\n C C7 1 0.97895093 0.94146687 -0.05014579 1\n C C8 1 0.67368337 0.24590195 0.49626780 1\n C C9 1 0.18220564 0.73698177 0.52072160 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50406000\n_cell_length_b 4.65282000\n_cell_length_c 7.79434000\n_cell_angle_alpha 102.32316000\n_cell_angle_beta 90.21387000\n_cell_angle_gamma 57.34724000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.00906334\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71189293 0.92715667 0.58658487 1\n C C1 1 0.98950773 0.65015597 0.78533086 1\n C C2 1 0.31142055 0.33003265 0.17209443 1\n C C3 1 0.45156223 0.18977140 0.48607075 1\n C C4 1 0.08733873 0.55340601 0.58635282 1\n C C5 1 0.61276580 0.02760124 0.78544616 1\n C C6 1 0.97003202 0.17052031 0.06551399 1\n C C7 1 0.54483033 1.09848661 0.30503495 1\n C C8 1 0.35590579 0.78668524 0.06551720 1\n C C9 1 0.56994939 0.57060174 0.87664795 1\n C C10 1 -0.09057417 0.73375106 0.17214168 1\n C C11 1 0.94325868 0.19815501 0.87671684 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.82257000\n_cell_length_b 4.50020000\n_cell_length_c 5.78377000\n_cell_angle_alpha 110.12577000\n_cell_angle_beta 77.51559000\n_cell_angle_gamma 105.16594000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 112.64563417\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45339261 0.17396305 0.20937772 1\n C C1 1 0.62651885 0.43492967 0.82854238 1\n C C2 1 0.67660470 0.12258957 0.66048913 1\n C C3 1 -0.02862132 0.17765420 0.21618631 1\n C C4 1 0.29665509 0.71411378 0.38253534 1\n C C5 1 0.56126870 0.84336497 0.49197258 1\n C C6 1 0.10991932 0.40715686 0.81524368 1\n C C7 1 0.79920718 0.67379462 0.36278404 1\n C C8 1 0.89518661 0.59313857 0.91381273 1\n C C9 1 1.03171607 0.81784300 0.51986871 1\n C C10 1 -0.02326943 0.10841111 0.66332627 1\n C C11 1 0.30951133 0.82987933 0.13409135 1\n C C12 1 0.23954681 0.35793554 0.27978010 1\n C C13 1 0.98137236 0.83563751 0.14171753 1\n C C14 1 0.73341349 0.31784187 0.25816930 1\n C C15 1 0.37460552 0.55885645 0.90331703 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.32464000\n_cell_length_b 4.67439000\n_cell_length_c 3.82679000\n_cell_angle_alpha 75.49080000\n_cell_angle_beta 90.19754000\n_cell_angle_gamma 53.08663000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.68334105\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56904266 0.55952940 0.26540408 1\n C C1 1 0.57464052 0.24280913 0.26817870 1\n C C2 1 0.28624062 0.37129310 -0.02059631 1\n C C3 1 0.25825666 0.87625570 0.95233800 1\n C C4 1 0.80628699 0.87604611 0.50424782 1\n C C5 1 0.12368564 0.24227588 0.82001267 1\n C C6 1 0.81223127 0.55895484 0.50804360 1\n C C7 1 1.09619593 0.74774305 0.79099504 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27936000\n_cell_length_b 3.28117000\n_cell_length_c 8.09379000\n_cell_angle_alpha 93.38646000\n_cell_angle_beta 73.45644000\n_cell_angle_gamma 81.31043000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.04643597\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09930073 0.32500169 0.65723365 1\n C C1 1 0.40560421 1.13915038 0.48776087 1\n C C2 1 0.29396938 0.62184656 0.76017137 1\n C C3 1 0.93352458 0.98247528 0.76007957 1\n C C4 1 0.02673072 0.63393982 0.31822107 1\n C C5 1 0.64541506 0.14986694 0.93748784 1\n C C6 1 0.72118676 0.82222054 0.48774125 1\n C C7 1 0.38828719 0.27294712 0.31804185 1\n C C8 1 0.83255261 0.33596683 0.21512094 1\n C C9 1 0.48088141 0.80795070 0.03778867 1\n C C10 1 0.84234478 0.44764059 0.03778490 1\n C C11 1 0.19321124 -0.02582819 0.21514478 1\n C C12 1 0.73809259 0.68550100 0.65721400 1\n C C13 1 0.28374714 0.51138115 0.93758222 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68617000\n_cell_length_b 4.24839000\n_cell_length_c 6.23709000\n_cell_angle_alpha 50.70487000\n_cell_angle_beta 103.77771000\n_cell_angle_gamma 85.47273000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.90069032\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75364185 0.52446104 0.74073990 1\n C C1 1 0.15766742 0.44712670 0.75015849 1\n C C2 1 0.68246965 0.85625164 0.76083258 1\n C C3 1 0.81109074 0.08634323 0.04579740 1\n C C4 1 0.19326451 1.02628472 0.24497910 1\n C C5 1 -0.11609873 0.75458875 0.02578024 1\n C C6 1 0.37124783 0.58459728 0.54172833 1\n C C7 1 0.40750482 0.16420217 0.03682450 1\n C C8 1 0.15583567 0.35361618 0.26840632 1\n C C9 1 0.40930514 0.25659368 0.51852773 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.68988000\n_cell_length_b 3.97297000\n_cell_length_c 5.23410000\n_cell_angle_alpha 67.59183000\n_cell_angle_beta 50.41319000\n_cell_angle_gamma 69.34179000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.65279991\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51850094 0.22160349 1.11093586 1\n C C1 1 0.16551814 0.51547048 0.13642566 1\n C C2 1 0.31565351 0.89125319 0.97091394 1\n C C3 1 0.85161854 0.26942965 0.72752301 1\n C C4 1 0.06795698 0.28318256 0.02134061 1\n C C5 1 0.09105830 0.48876000 0.71688730 1\n C C6 1 0.67296985 0.21748291 0.29286488 1\n C C7 1 0.76955457 0.56135016 0.48611662 1\n C C8 1 0.49248008 0.53917950 0.42888773 1\n C C9 1 0.66379973 0.90822022 0.58843744 1\n C C10 1 0.36841991 0.88316994 0.24320343 1\n C C11 1 0.97872774 0.91132810 0.59526193 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27060000\n_cell_length_b 3.27332000\n_cell_length_c 4.23850000\n_cell_angle_alpha 55.95715000\n_cell_angle_beta 95.16840000\n_cell_angle_gamma 80.87229000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22514178\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49914998 0.34894477 0.30392580 1\n C C1 1 0.71294749 0.79893853 0.06718225 1\n C C2 1 0.85955113 -0.01192167 0.30391317 1\n C C3 1 0.07389011 0.43821082 1.06688841 1\n C C4 1 0.12856051 0.55241247 0.68534565 1\n C C5 1 0.44549927 0.23525608 0.68564543 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48126000\n_cell_length_b 3.68868000\n_cell_length_c 4.21785000\n_cell_angle_alpha 75.24427000\n_cell_angle_beta 89.93985000\n_cell_angle_gamma 70.37443000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01076359\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63290937 0.30396412 0.40036063 1\n C C1 1 0.51469371 0.54581111 1.02778818 1\n C C2 1 -0.16811107 0.90618403 0.32490128 1\n C C3 1 0.05421848 0.46116680 0.53118124 1\n C C4 1 1.09284498 0.38950018 0.89658776 1\n C C5 1 0.31243852 -0.05571415 0.10290151 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43062000\n_cell_length_b 4.08193000\n_cell_length_c 6.12816000\n_cell_angle_alpha 109.30613000\n_cell_angle_beta 91.86885000\n_cell_angle_gamma 92.70902000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.24293994\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10512956 0.61642820 0.51845981 1\n C C1 1 0.60510323 0.20314000 0.93657056 1\n C C2 1 0.10518719 -0.04815767 0.18561669 1\n C C3 1 0.60537164 0.86699282 0.26868594 1\n C C4 1 0.60494306 0.70235182 0.43614523 1\n C C5 1 0.10522291 0.11691904 0.01869373 1\n C C6 1 0.60549957 0.36752636 0.76901325 1\n C C7 1 1.10525714 0.45205025 0.68577029 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43170000\n_cell_length_b 3.99683000\n_cell_length_c 4.65178000\n_cell_angle_alpha 84.33297000\n_cell_angle_beta 74.02420000\n_cell_angle_gamma 90.68022000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.21645498\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61088591 1.05052627 0.85018717 1\n C C1 1 0.94419970 0.38387365 0.18336832 1\n C C2 1 0.16502169 -0.06238091 0.73967336 1\n C C3 1 0.83286136 0.60725953 0.40442684 1\n C C4 1 0.27844077 0.71941856 0.51533969 1\n C C5 1 0.49860936 0.27201410 0.07239042 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.30637000\n_cell_length_b 4.30197000\n_cell_length_c 4.19699000\n_cell_angle_alpha 60.80840000\n_cell_angle_beta 60.78669000\n_cell_angle_gamma 51.74288000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.29946871\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17192331 0.22000299 0.32182684 1\n C C1 1 0.77695144 0.61539057 0.32161320 1\n C C2 1 0.59487742 1.04041032 0.69273672 1\n C C3 1 0.59003628 1.03394824 1.05612343 1\n C C4 1 0.22539993 0.06563928 0.70675721 1\n C C5 1 0.80244582 0.24523194 0.33584733 1\n C C6 1 0.62037181 0.67025170 0.70697085 1\n C C7 1 0.80728697 0.25169403 -0.02753938 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.07557000\n_cell_length_b 3.73323000\n_cell_length_c 4.38856000\n_cell_angle_alpha 90.00298000\n_cell_angle_beta 66.95782000\n_cell_angle_gamma 106.71203000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.36812184\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63087592 0.67050897 0.80507536 1\n C C1 1 0.50218388 0.82898027 0.09718694 1\n C C2 1 0.99698727 0.35506298 0.12050496 1\n C C3 1 0.31405145 1.11570015 0.56706457 1\n C C4 1 -0.00335530 0.80295561 0.57300417 1\n C C5 1 0.63040159 0.11822935 0.25701042 1\n C C6 1 0.31449978 0.35824688 0.81035428 1\n C C7 1 0.12566641 0.64112170 0.28256449 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48103000\n_cell_length_b 3.68813000\n_cell_length_c 4.21768000\n_cell_angle_alpha 104.81772000\n_cell_angle_beta 90.00348000\n_cell_angle_gamma 70.37586000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98628284\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78517260 0.52971841 0.84729627 1\n C C1 1 0.20644016 0.68709394 0.71668742 1\n C C2 1 -0.01789202 1.13252622 0.92307544 1\n C C3 1 0.46224939 0.17137073 0.14514856 1\n C C4 1 0.66184824 0.77321807 0.22038020 1\n C C5 1 0.23971294 0.61701833 0.35149042 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42974000\n_cell_length_b 4.62780000\n_cell_length_c 5.63083000\n_cell_angle_alpha 70.58792000\n_cell_angle_beta 93.01982000\n_cell_angle_gamma 86.33603000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.40960238\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47145999 0.31062121 0.40479445 1\n C C1 1 0.97114702 0.56208197 0.65360719 1\n C C2 1 0.47164853 0.81151525 0.90406631 1\n C C3 1 0.47186455 0.14381465 0.23888736 1\n C C4 1 0.47111896 0.64595853 0.73719313 1\n C C5 1 0.97194432 0.06000337 0.15531293 1\n C C6 1 0.97163301 -0.10454930 0.98759201 1\n C C7 1 -0.02856458 0.39397622 0.48882763 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.58165000\n_cell_length_b 4.54479000\n_cell_length_c 4.81056000\n_cell_angle_alpha 101.38783000\n_cell_angle_beta 75.66535000\n_cell_angle_gamma 95.49733000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 74.28323104\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09238164 0.89491206 0.50901029 1\n C C1 1 0.85370520 0.65336514 0.41569307 1\n C C2 1 0.85018369 0.65238092 0.90801909 1\n C C3 1 0.34080985 0.13573975 0.41370105 1\n C C4 1 0.46549086 0.25992752 0.16075324 1\n C C5 1 0.47470457 0.27131714 0.65953465 1\n C C6 1 0.71322802 0.51790070 0.66279529 1\n C C7 1 0.72914218 0.52732774 0.16019689 1\n C C8 1 0.33680937 0.13538875 0.90668455 1\n C C9 1 1.09180511 0.89677998 0.81602998 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47745000\n_cell_length_b 2.47812000\n_cell_length_c 6.31064000\n_cell_angle_alpha 89.98934000\n_cell_angle_beta 101.31568000\n_cell_angle_gamma 120.02456000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67276133\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77517808 0.82788489 0.13560329 1\n C C1 1 0.38512437 0.13298041 0.05177072 1\n C C2 1 0.83195618 0.35947926 0.72133111 1\n C C3 1 0.22002755 1.05265359 0.80431534 1\n C C4 1 0.66755906 0.27744117 0.47054809 1\n C C5 1 0.94527296 0.91553169 0.38672486 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44933000\n_cell_length_b 6.45244000\n_cell_length_c 5.53917000\n_cell_angle_alpha 90.08301000\n_cell_angle_beta 90.00123000\n_cell_angle_gamma 100.96118000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.94471280\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27809056 1.00791473 0.47741423 1\n C C1 1 0.53411701 0.52492080 0.22032997 1\n C C2 1 0.70595405 0.86496657 0.47721503 1\n C C3 1 0.98088958 0.41978673 0.20930314 1\n C C4 1 0.20000758 -0.14485922 0.84169577 1\n C C5 1 0.31319025 0.08326958 0.74187583 1\n C C6 1 0.87115165 0.19829296 0.82786631 1\n C C7 1 0.20009607 0.85513225 0.11262637 1\n C C8 1 0.98053274 0.41956542 0.74662946 1\n C C9 1 0.31322942 0.08313535 0.21350970 1\n C C10 1 0.53378032 0.52462906 0.73375771 1\n C C11 1 0.65063058 0.75837271 0.72407629 1\n C C12 1 0.65083143 0.75846330 0.23046766 1\n C C13 1 -0.12873375 0.19826455 0.12891603 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51713000\n_cell_length_b 4.83396000\n_cell_length_c 3.51896000\n_cell_angle_alpha 68.66009000\n_cell_angle_beta 120.01313000\n_cell_angle_gamma 136.69588000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53212597\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57001269 0.20827494 0.39239237 1\n C C1 1 0.59866629 0.54169676 0.08793888 1\n C C2 1 0.63471489 0.04167639 0.15997376 1\n C C3 1 -0.00317251 0.70846303 0.85584450 1\n C C4 1 0.93182423 0.87505867 0.39220835 1\n C C5 1 0.96824622 0.37484951 0.85602614 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46875000\n_cell_length_b 3.37688000\n_cell_length_c 5.21942000\n_cell_angle_alpha 88.91274000\n_cell_angle_beta 90.06470000\n_cell_angle_gamma 111.37159000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.51244462\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32139110 0.55054987 0.36718221 1\n C C1 1 0.88460332 0.68096986 0.76515884 1\n C C2 1 1.28401632 0.47549473 0.09241433 1\n C C3 1 0.69645791 0.30008710 0.96760749 1\n C C4 1 -0.15273841 0.60191605 0.49098015 1\n C C5 1 0.47210105 0.85635439 0.88992438 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44825000\n_cell_length_b 3.37041000\n_cell_length_c 8.03846000\n_cell_angle_alpha 70.01805000\n_cell_angle_beta 72.22485000\n_cell_angle_gamma 68.68615000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.81791646\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00523063 0.71489570 0.80233207 1\n C C1 1 0.34908048 0.44352647 0.08568248 1\n C C2 1 0.66556622 -0.05186035 0.51401914 1\n C C3 1 0.31319608 0.83675252 0.42191337 1\n C C4 1 0.54079342 0.80482610 0.71076875 1\n C C5 1 0.56834169 0.42170057 0.37391915 1\n C C6 1 0.21708798 0.30835943 0.28248622 1\n C C7 1 0.89616946 0.53031336 -0.00609767 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48947000\n_cell_length_b 5.29013000\n_cell_length_c 6.03980000\n_cell_angle_alpha 93.36114000\n_cell_angle_beta 90.03196000\n_cell_angle_gamma 118.06173000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.03453363\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48295359 0.67902229 0.96684330 1\n C C1 1 0.66175893 0.85802339 0.21326705 1\n C C2 1 0.00937849 0.20450196 0.26340345 1\n C C3 1 0.79514910 0.49077218 0.98503035 1\n C C4 1 0.68873409 0.38365040 0.20763172 1\n C C5 1 1.01327050 0.70788562 0.58872502 1\n C C6 1 1.02965230 0.72506088 0.32384052 1\n C C7 1 0.56804722 0.26519919 0.80914000 1\n C C8 1 0.91003638 0.10687988 0.74190058 1\n C C9 1 0.05489736 0.25195303 0.51248493 1\n C C10 1 0.70393591 0.40058994 0.59129436 1\n C C11 1 0.60646092 0.80118825 0.72459631 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43017000\n_cell_length_b 2.43001000\n_cell_length_c 8.45058000\n_cell_angle_alpha 86.53964000\n_cell_angle_beta 88.21714000\n_cell_angle_gamma 120.01569000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.02346918\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55047166 0.76900182 0.95089750 1\n C C1 1 0.64013934 0.03518359 0.29216940 1\n C C2 1 -0.05778123 0.54445540 0.62217309 1\n C C3 1 0.27538998 0.21026468 0.62303855 1\n C C4 1 -0.02624336 0.70212816 0.29250418 1\n C C5 1 1.21701500 0.10182005 0.95051829 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56439000\n_cell_length_b 5.30695000\n_cell_length_c 6.58472000\n_cell_angle_alpha 125.98965000\n_cell_angle_beta 90.03825000\n_cell_angle_gamma 89.98603000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.50716271\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03814319 0.82881264 0.42712086 1\n C C1 1 0.46107084 -0.02705299 0.40294233 1\n C C2 1 0.46001264 0.01219859 0.19497722 1\n C C3 1 0.46268943 0.81557462 0.75414123 1\n C C4 1 0.46174536 0.29907268 0.61054525 1\n C C5 1 0.46193134 0.44494040 0.87750036 1\n C C6 1 0.46149505 0.34416266 0.27982391 1\n C C7 1 0.96201101 0.45537170 0.22014761 1\n C C8 1 0.46174095 0.77688259 0.96193508 1\n C C9 1 0.96256552 0.33386470 0.93699144 1\n C C10 1 0.46223688 0.48926894 0.54667393 1\n C C11 1 -0.03716252 0.95944795 0.72998007 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47983000\n_cell_length_b 3.69049000\n_cell_length_c 5.98326000\n_cell_angle_alpha 54.79408000\n_cell_angle_beta 51.52116000\n_cell_angle_gamma 70.33440000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00431349\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35788141 0.41177433 0.91310449 1\n C C1 1 0.52870777 0.35620368 0.48455471 1\n C C2 1 0.78705466 0.17285535 0.70655131 1\n C C3 1 -0.04260060 0.11709281 0.27816397 1\n C C4 1 0.40432093 0.82905251 0.40959287 1\n C C5 1 0.91035893 0.69950281 0.78211995 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48350000\n_cell_length_b 4.82666000\n_cell_length_c 6.73460000\n_cell_angle_alpha 89.99173000\n_cell_angle_beta 56.41586000\n_cell_angle_gamma 89.99363000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.25219414\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59789012 0.65308756 0.62231191 1\n C C1 1 0.31932218 1.05671221 0.47435851 1\n C C2 1 0.32790036 0.88627616 0.80239237 1\n C C3 1 0.39302872 0.38603169 0.75847454 1\n C C4 1 0.65908349 0.38600828 0.91441696 1\n C C5 1 0.31919572 0.71536833 0.47449503 1\n C C6 1 0.59408933 0.88615488 0.95843932 1\n C C7 1 0.59811287 0.11781026 0.62208395 1\n C C8 1 0.66783913 0.21549977 0.24241087 1\n C C9 1 -0.33222172 0.55664982 0.24236188 1\n C C10 1 0.38958044 0.61766869 0.09455791 1\n C C11 1 0.38927996 0.15310554 0.09481876 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42004000\n_cell_length_b 3.63459000\n_cell_length_c 4.82206000\n_cell_angle_alpha 67.95765000\n_cell_angle_beta 94.22881000\n_cell_angle_gamma 56.88253000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.42976599\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24907825 0.77007394 0.04281688 1\n C C1 1 0.24987204 0.71124435 0.54182645 1\n C C2 1 0.25092836 0.15134980 0.04410067 1\n C C3 1 1.24772003 0.11717486 0.35057875 1\n C C4 1 0.24815128 0.55769327 0.85256286 1\n C C5 1 0.24888603 0.49865657 0.35173619 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44488000\n_cell_length_b 6.53300000\n_cell_length_c 7.06699000\n_cell_angle_alpha 115.43645000\n_cell_angle_beta 94.35247000\n_cell_angle_gamma 101.56448000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 98.17713200\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15321633 -0.02409988 0.35581059 1\n C C1 1 0.61040093 0.42226958 0.24176161 1\n C C2 1 0.22453136 0.73775934 0.61574981 1\n C C3 1 0.56042854 0.87667569 0.25706109 1\n C C4 1 0.95998792 1.02536108 0.97940998 1\n C C5 1 0.73294935 0.55803237 0.93072249 1\n C C6 1 1.41209376 0.92278257 0.98307203 1\n C C7 1 0.34585553 0.71182608 1.01799320 1\n C C8 1 0.59911329 0.42355157 0.66401083 1\n C C9 1 0.11370851 0.42127022 0.34010854 1\n C C10 1 0.88153619 0.09775213 0.67900204 1\n C C11 1 0.12540809 0.49030672 0.57727774 1\n C C12 1 0.38232944 0.15584258 0.58754941 1\n C C13 1 -0.22188709 0.84501734 0.62080177 1\n C C14 1 1.00867279 0.21970170 0.92094573 1\n C C15 1 0.60163065 0.36944031 0.01053164 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48079000\n_cell_length_b 6.88193000\n_cell_length_c 7.12837000\n_cell_angle_alpha 122.16831000\n_cell_angle_beta 85.91704000\n_cell_angle_gamma 92.24989000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 102.75595015\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59799105 0.35224806 0.78917973 1\n C C1 1 0.14205190 0.66089497 0.77088004 1\n C C2 1 0.74655333 0.72261884 0.49618597 1\n C C3 1 0.19738509 0.79333788 0.65195334 1\n C C4 1 0.62727816 0.35994508 0.45754307 1\n C C5 1 0.60653342 0.11155385 -0.02430306 1\n C C6 1 0.55902847 0.50738553 0.03595625 1\n C C7 1 0.12802863 0.04930647 0.82224146 1\n C C8 1 0.60010363 0.36409126 0.12920508 1\n C C9 1 0.59661366 -0.02683271 0.09717761 1\n C C10 1 0.57185308 0.11570572 0.35764315 1\n C C11 1 1.04387993 0.66699869 0.11713235 1\n C C12 1 0.09811340 0.81931097 0.02028792 1\n C C13 1 1.09811504 0.19762720 0.71073088 1\n C C14 1 1.06198687 1.05544877 0.45137770 1\n C C15 1 0.67622344 0.47086926 0.34929294 1\n C C16 1 0.95572174 0.81400994 0.35819831 1\n C C17 1 0.63651856 0.50544311 0.69768856 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.25728000\n_cell_length_b 4.59824000\n_cell_length_c 3.98264000\n_cell_angle_alpha 60.32364000\n_cell_angle_beta 82.31593000\n_cell_angle_gamma 58.59252000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.99528955\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22192714 0.30841397 0.67940490 1\n C C1 1 0.35126219 0.82448861 0.32399251 1\n C C2 1 1.00004255 0.82453240 0.89866640 1\n C C3 1 0.61257871 -0.06172317 0.74067876 1\n C C4 1 0.30095837 0.57396504 0.73652387 1\n C C5 1 0.64051920 0.58775988 0.15128920 1\n C C6 1 0.94757872 0.58767236 0.30848764 1\n C C7 1 0.64537076 0.30824760 1.05971687 1\n C C8 1 0.62493186 0.93814674 0.36837633 1\n C C9 1 0.03585270 0.10395738 0.97177363 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50713000\n_cell_length_b 3.41850000\n_cell_length_c 6.36093000\n_cell_angle_alpha 81.81250000\n_cell_angle_beta 89.97270000\n_cell_angle_gamma 68.50617000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.12963767\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36175922 0.90358723 0.70952283 1\n C C1 1 -0.03481939 0.69545527 0.81395548 1\n C C2 1 0.80106593 1.02312748 -0.02221632 1\n C C3 1 0.30112519 1.02323346 0.47780091 1\n C C4 1 0.86181848 0.90369320 0.20954006 1\n C C5 1 0.46525261 0.69559501 0.31400554 1\n C C6 1 1.19763181 0.23122567 0.87331821 1\n C C7 1 0.69770380 0.23136541 0.37336827 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37122000\n_cell_length_b 3.37572000\n_cell_length_c 6.86656000\n_cell_angle_alpha 90.00752000\n_cell_angle_beta 60.60956000\n_cell_angle_gamma 90.00225000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.08607543\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94478971 0.85667413 0.91277433 1\n C C1 1 0.27935386 0.52211832 0.91268870 1\n C C2 1 0.72673188 0.02201165 0.63077272 1\n C C3 1 1.06121084 0.35651380 0.63071837 1\n C C4 1 0.56152461 1.02200666 0.13076713 1\n C C5 1 -0.22014028 0.85656054 0.41264056 1\n C C6 1 0.25297378 0.18935522 0.77182847 1\n C C7 1 0.25355440 0.68939241 0.27174262 1\n C C8 1 0.75309474 0.68936271 0.77175443 1\n C C9 1 0.22703011 0.35666290 0.13069487 1\n C C10 1 0.44513350 0.52185482 0.41272894 1\n C C11 1 0.75347245 0.18940223 0.27180487 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49679000\n_cell_length_b 6.16411000\n_cell_length_c 6.11868000\n_cell_angle_alpha 91.35267000\n_cell_angle_beta 85.85390000\n_cell_angle_gamma 97.52888000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.10379672\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22976823 0.74700638 0.80375842 1\n C C1 1 0.48765891 0.21258928 0.83471124 1\n C C2 1 0.52977877 0.40750153 -0.01343949 1\n C C3 1 0.35648960 0.30982515 0.21211241 1\n C C4 1 0.75687120 0.79633630 0.24373632 1\n C C5 1 -0.36212613 0.26058293 0.62283244 1\n C C6 1 0.21362037 0.66377151 0.21043839 1\n C C7 1 0.72112278 0.48893525 0.52558494 1\n C C8 1 0.80838453 -0.01868696 0.08327408 1\n C C9 1 0.80655129 0.17464671 0.23945687 1\n C C10 1 0.75457412 0.87962562 0.47486314 1\n C C11 1 0.74426246 0.71718804 0.65675714 1\n C C12 1 -0.27635299 0.09756883 0.46792737 1\n C C13 1 1.25021713 0.48955514 0.37704173 1\n C C14 1 1.11847033 0.55917386 0.98167881 1\n C C15 1 0.33348710 -0.01867889 0.93542208 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.57457000\n_cell_length_b 4.20609000\n_cell_length_c 4.59602000\n_cell_angle_alpha 97.32729000\n_cell_angle_beta 89.01553000\n_cell_angle_gamma 126.02920000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.74805712\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99734105 0.06027043 1.04795963 1\n C C1 1 0.39615843 0.25947430 0.64679199 1\n C C2 1 0.79125752 0.12231555 0.24336512 1\n C C3 1 0.19765011 0.66069457 -0.15174085 1\n C C4 1 0.79474829 0.45827545 0.24553355 1\n C C5 1 0.59082498 0.52204502 0.44306583 1\n C C6 1 -0.00622066 0.72420478 0.04575902 1\n C C7 1 0.39295415 0.92342293 0.64488714 1\n C C8 1 0.19441544 0.32470204 0.84632415 1\n C C9 1 0.59412328 0.85803592 0.44501152 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.49381000\n_cell_length_b 3.42993000\n_cell_length_c 6.51368000\n_cell_angle_alpha 97.71658000\n_cell_angle_beta 82.61122000\n_cell_angle_gamma 91.01000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.70769507\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22845976 0.56015142 0.34639111 1\n C C1 1 0.79375902 1.01824495 0.55294128 1\n C C2 1 -0.13337009 0.42343857 0.88380577 1\n C C3 1 0.17848177 0.61716298 0.00019252 1\n C C4 1 0.54503615 0.75070301 0.88269221 1\n C C5 1 0.30112238 0.50256191 0.55624058 1\n C C6 1 0.96786045 0.84976153 0.34558036 1\n C C7 1 0.67411760 0.12103730 1.01921727 1\n C C8 1 0.51261579 0.78604469 0.66270811 1\n C C9 1 -0.00555098 0.98246024 0.13609118 1\n C C10 1 0.29886406 0.31810825 0.13643842 1\n C C11 1 0.01395169 0.27714806 0.66677509 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52094000\n_cell_length_b 4.64839000\n_cell_length_c 6.47462000\n_cell_angle_alpha 52.15214000\n_cell_angle_beta 93.87169000\n_cell_angle_gamma 104.44847000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.65223010\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64836975 0.76554668 -0.01779732 1\n C C1 1 0.91734592 0.13167408 0.18219368 1\n C C2 1 0.45309960 0.74365056 0.60829240 1\n C C3 1 0.33465032 -0.10294600 0.33299325 1\n C C4 1 0.46083884 0.35018156 0.76439053 1\n C C5 1 0.52161752 0.31235942 0.55083867 1\n C C6 1 0.88585993 0.15494139 -0.06647982 1\n C C7 1 0.06586403 0.53094425 0.13306144 1\n C C8 1 0.52897542 0.91883082 0.70698255 1\n C C9 1 0.09723147 0.50777375 0.38168323 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38899000\n_cell_length_b 3.35825000\n_cell_length_c 4.59053000\n_cell_angle_alpha 68.45130000\n_cell_angle_beta 90.95270000\n_cell_angle_gamma 92.12081000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.55998604\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58701274 0.84695956 0.87541175 1\n C C1 1 0.72986097 0.73466264 0.39893526 1\n C C2 1 0.25264254 0.10940569 0.68470509 1\n C C3 1 0.08692135 0.33496752 0.89769204 1\n C C4 1 0.74066203 0.07637259 0.07992908 1\n C C5 1 0.43239599 0.41279601 0.07966676 1\n C C6 1 0.91843494 0.77412854 0.68507435 1\n C C7 1 0.44051265 0.43521665 0.39868966 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44957000\n_cell_length_b 2.54470000\n_cell_length_c 6.95643000\n_cell_angle_alpha 79.06424000\n_cell_angle_beta 111.91164000\n_cell_angle_gamma 94.90591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.49416310\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54917373 1.00120091 0.26029438 1\n C C1 1 0.77815086 0.89257981 0.48994231 1\n C C2 1 0.38606867 0.83202117 0.59744698 1\n C C3 1 0.21978587 0.65045928 0.92692302 1\n C C4 1 0.44940077 0.54630812 0.15655100 1\n C C5 1 0.61159490 0.70832051 0.81938581 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58269000\n_cell_length_b 4.81156000\n_cell_length_c 6.67201000\n_cell_angle_alpha 112.88863000\n_cell_angle_beta 114.92284000\n_cell_angle_gamma 74.08515000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.66373615\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27627464 0.64169403 0.73824277 1\n C C1 1 0.08732348 0.35596831 0.92948227 1\n C C2 1 0.70167977 0.68819273 0.24711614 1\n C C3 1 0.47355872 0.16303184 0.07710934 1\n C C4 1 0.47453500 0.23661405 0.31635256 1\n C C5 1 1.06068963 0.66904875 0.09893009 1\n C C6 1 0.44602085 0.33690654 0.78109267 1\n C C7 1 0.67478340 0.86182532 0.95137864 1\n C C8 1 0.75161054 -0.00605986 0.43918620 1\n C C9 1 0.87208586 0.38394629 0.29069756 1\n C C10 1 0.67362350 0.78792358 0.71185862 1\n C C11 1 0.39645749 0.03024083 0.58890143 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46231000\n_cell_length_b 5.03317000\n_cell_length_c 9.78950000\n_cell_angle_alpha 91.77647000\n_cell_angle_beta 80.41933000\n_cell_angle_gamma 89.36100000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 119.55740825\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08540518 0.52067336 0.61519270 1\n C C1 1 1.09913893 1.01371900 0.59525027 1\n C C2 1 0.37771915 0.71695196 0.20076906 1\n C C3 1 0.01248927 0.25778989 0.69099033 1\n C C4 1 0.35256939 0.21141752 0.20467241 1\n C C5 1 0.71160082 0.75029817 0.42449372 1\n C C6 1 1.05211672 0.78914708 0.70312897 1\n C C7 1 0.82370669 0.73047957 0.27192225 1\n C C8 1 0.00954315 0.46411337 1.02724997 1\n C C9 1 0.71185639 0.26139904 0.42348326 1\n C C10 1 0.64707443 0.51622574 0.51835647 1\n C C11 1 0.45115927 0.19881356 0.77552954 1\n C C12 1 0.16085579 0.27255143 0.91298479 1\n C C13 1 0.50409843 0.86800295 0.95351569 1\n C C14 1 1.26592599 0.25445968 0.34054132 1\n C C15 1 0.90416140 0.21501228 0.12344324 1\n C C16 1 -0.00923392 0.03421225 0.98999009 1\n C C17 1 0.48128230 0.63454778 1.04871543 1\n C C18 1 0.51242461 0.87053581 0.78835946 1\n C C19 1 0.65684110 0.00617796 0.50634614 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46602000\n_cell_length_b 6.39204000\n_cell_length_c 8.79241000\n_cell_angle_alpha 67.88523000\n_cell_angle_beta 81.68077000\n_cell_angle_gamma 91.95604000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 126.45179996\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32267130 0.48430565 0.06991640 1\n C C1 1 0.46746504 0.10148175 0.80241625 1\n C C2 1 0.26082381 0.02884308 0.19995039 1\n C C3 1 0.27807901 0.83245473 0.14906993 1\n C C4 1 1.17577957 0.62968308 0.30546474 1\n C C5 1 0.51354565 0.39194757 0.54479082 1\n C C6 1 0.55832080 0.80028683 0.67341090 1\n C C7 1 0.61551395 0.83547647 0.47130137 1\n C C8 1 0.20995273 0.43473221 0.25067150 1\n C C9 1 -0.16578986 0.82958518 1.04465085 1\n C C10 1 0.61612059 0.62673302 0.41295510 1\n C C11 1 -0.09009496 0.05158714 0.90757947 1\n C C12 1 0.87459827 0.63043370 -0.01687955 1\n C C13 1 -0.00183532 0.67441561 0.77761242 1\n C C14 1 0.33035186 0.25363603 0.05609330 1\n C C15 1 0.88012700 0.24966668 0.95944662 1\n C C16 1 0.16023190 -0.01340062 0.37972058 1\n C C17 1 1.12013318 0.21834206 0.37838285 1\n C C18 1 0.64401107 0.03189250 0.66578944 1\n C C19 1 0.95644891 0.24147202 0.53305430 1\n C C20 1 0.96923202 0.43348851 0.78669368 1\n C C21 1 0.49091680 0.36429757 0.71909963 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48447000\n_cell_length_b 4.59445000\n_cell_length_c 5.48684000\n_cell_angle_alpha 69.55916000\n_cell_angle_beta 90.01903000\n_cell_angle_gamma 105.67634000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.19663085\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43294327 0.57756178 0.50671314 1\n C C1 1 0.88797484 0.49363706 0.90432395 1\n C C2 1 0.17196901 0.05948239 0.26882226 1\n C C3 1 1.07953867 0.87757692 0.83924612 1\n C C4 1 0.33942405 0.39519475 0.07870908 1\n C C5 1 0.45484395 0.62659199 0.22206252 1\n C C6 1 1.05478671 0.82850697 1.12470104 1\n C C7 1 0.66200075 0.04180000 0.69136461 1\n C C8 1 -0.14928343 0.41327445 0.65435936 1\n C C9 1 0.62268868 -0.03923412 0.44260651 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43205000\n_cell_length_b 3.98989000\n_cell_length_c 4.63986000\n_cell_angle_alpha 95.92531000\n_cell_angle_beta 105.27732000\n_cell_angle_gamma 89.81014000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18692025\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72302412 0.93452797 0.49277506 1\n C C1 1 0.94496418 0.48831801 -0.06337775 1\n C C2 1 0.61214940 1.15806217 0.27182212 1\n C C3 1 0.05689251 0.27008901 0.16091310 1\n C C4 1 0.27837989 0.82263529 0.60375106 1\n C C5 1 0.38998169 0.60121445 0.82596820 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44794000\n_cell_length_b 3.37187000\n_cell_length_c 7.58291000\n_cell_angle_alpha 102.52275000\n_cell_angle_beta 99.28425000\n_cell_angle_gamma 68.84767000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.74678309\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38028114 0.64298504 0.06257936 1\n C C1 1 1.02038364 0.64449484 0.34509723 1\n C C2 1 0.63043352 0.70747035 0.63376777 1\n C C3 1 0.56298733 0.64776801 0.43676051 1\n C C4 1 0.07295173 0.91521773 0.72596236 1\n C C5 1 0.92608112 0.64271283 0.15405548 1\n C C6 1 0.30822000 0.58693028 0.86559251 1\n C C7 1 0.86577691 0.37934553 0.77331358 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.78063000\n_cell_length_b 5.25735000\n_cell_length_c 4.19805000\n_cell_angle_alpha 65.56045000\n_cell_angle_beta 91.47694000\n_cell_angle_gamma 127.33925000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.21691960\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86852568 0.77059498 0.08452783 1\n C C1 1 0.53555769 0.43733359 0.41740525 1\n C C2 1 0.53562096 0.43717342 0.75114412 1\n C C3 1 0.20131322 0.10400074 0.41776122 1\n C C4 1 0.86834523 0.77073935 0.75063864 1\n C C5 1 0.20124995 1.10416091 0.08402235 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48510000\n_cell_length_b 3.45224000\n_cell_length_c 5.85917000\n_cell_angle_alpha 83.30414000\n_cell_angle_beta 62.80110000\n_cell_angle_gamma 91.88679000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.97416488\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31916299 0.15923392 0.40259221 1\n C C1 1 0.21011581 0.00268415 0.66709035 1\n C C2 1 0.53921367 0.68409147 0.65835218 1\n C C3 1 0.79216491 0.43090409 -0.02251406 1\n C C4 1 0.66362863 0.44407212 0.25606143 1\n C C5 1 0.47132748 0.11139429 0.97742587 1\n C C6 1 0.75332215 0.80526906 0.81935131 1\n C C7 1 -0.16888820 0.67463472 0.37508985 1\n C C8 1 1.18053233 -0.03791730 0.25600737 1\n C C9 1 0.25474983 0.30750227 0.82051989 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42972000\n_cell_length_b 5.44662000\n_cell_length_c 4.81847000\n_cell_angle_alpha 77.51378000\n_cell_angle_beta 75.37210000\n_cell_angle_gamma 47.99518000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.74932318\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02274033 0.40932846 0.14224259 1\n C C1 1 0.44712092 0.77412966 0.11300824 1\n C C2 1 0.78732906 0.35609948 0.68273554 1\n C C3 1 0.87692728 0.88137164 0.92954761 1\n C C4 1 1.04646327 0.94724696 0.39443540 1\n C C5 1 0.35711564 0.24875259 0.86633748 1\n C C6 1 0.25560890 0.72076412 0.65353782 1\n C C7 1 0.18840856 0.18303579 0.40121171 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46245000\n_cell_length_b 3.39416000\n_cell_length_c 5.29972000\n_cell_angle_alpha 94.58149000\n_cell_angle_beta 90.00198000\n_cell_angle_gamma 111.15874000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.15676327\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43834077 0.53515424 0.71142574 1\n C C1 1 0.03350544 0.72686958 0.83693766 1\n C C2 1 0.57613069 0.81937144 0.23953975 1\n C C3 1 0.61356270 0.88796889 0.51504252 1\n C C4 1 0.20914091 0.07972022 0.64172584 1\n C C5 1 0.06218359 -0.20845487 0.11275229 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48609000\n_cell_length_b 3.97275000\n_cell_length_c 8.36809000\n_cell_angle_alpha 86.51293000\n_cell_angle_beta 98.44409000\n_cell_angle_gamma 90.00508000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.59782226\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39174435 0.70566354 0.65409102 1\n C C1 1 0.11807460 0.42434590 0.09535188 1\n C C2 1 0.70939985 -0.26491056 0.28306540 1\n C C3 1 0.61983159 0.64636823 0.09915004 1\n C C4 1 0.74021010 0.38579732 0.34557187 1\n C C5 1 0.96141081 0.18683252 0.78812656 1\n C C6 1 0.46116098 0.95903433 0.78764579 1\n C C7 1 0.89253202 0.47373353 0.65587472 1\n C C8 1 0.20235969 0.25780107 0.26691701 1\n C C9 1 0.32174619 0.99041935 0.51312751 1\n C C10 1 0.55678206 0.94052522 -0.02010708 1\n C C11 1 1.05528118 0.16204059 0.97679556 1\n C C12 1 0.23211580 0.90706166 0.33062645 1\n C C13 1 0.82342248 0.22743222 0.51605478 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45363000\n_cell_length_b 7.68097000\n_cell_length_c 7.60224000\n_cell_angle_alpha 53.95445000\n_cell_angle_beta 100.02824000\n_cell_angle_gamma 87.43892000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 112.10894896\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02154695 0.77687263 0.53405444 1\n C C1 1 0.52753488 0.09187056 0.62760842 1\n C C2 1 0.29185301 0.36227212 0.24640559 1\n C C3 1 1.13087219 0.73799930 0.22704056 1\n C C4 1 0.62443327 0.85917898 0.81501781 1\n C C5 1 0.96468127 -0.02918346 1.07452325 1\n C C6 1 0.38043323 0.07607728 0.98073191 1\n C C7 1 0.54016435 0.64960115 0.62311029 1\n C C8 1 -0.10001872 0.99878113 0.41032454 1\n C C9 1 0.38335516 0.11094719 0.39653565 1\n C C10 1 0.81393991 0.40834823 0.33474527 1\n C C11 1 0.68398822 0.63020413 0.27073678 1\n C C12 1 0.17583708 0.74798470 0.87969224 1\n C C13 1 0.00582443 0.22382754 0.59367329 1\n C C14 1 0.63232669 0.40862627 0.74012290 1\n C C15 1 0.22009341 0.50293793 -0.01401013 1\n C C16 1 0.67989707 0.47927637 -0.11227095 1\n C C17 1 1.15617400 0.29095765 0.75314742 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45178000\n_cell_length_b 3.33941000\n_cell_length_c 9.43582000\n_cell_angle_alpha 96.12357000\n_cell_angle_beta 97.27710000\n_cell_angle_gamma 111.91905000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.09179645\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74256161 0.53056547 0.48036744 1\n C C1 1 0.10678930 -0.03586153 0.76827848 1\n C C2 1 0.93917615 1.13853319 0.25603852 1\n C C3 1 0.03993822 0.45414979 0.13995451 1\n C C4 1 1.28582456 1.17491245 0.91547107 1\n C C5 1 0.58147750 0.35315034 0.32668614 1\n C C6 1 0.33221157 0.63798798 0.55072639 1\n C C7 1 -0.48576870 -0.14814170 0.69771649 1\n C C8 1 0.87443170 0.27946327 0.98607120 1\n C C9 1 0.68343649 0.66887794 0.21068525 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34988000\n_cell_length_b 3.85411000\n_cell_length_c 5.49006000\n_cell_angle_alpha 114.46461000\n_cell_angle_beta 107.26268000\n_cell_angle_gamma 100.31399000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.77441114\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50948197 0.18756168 0.35099294 1\n C C1 1 0.10898601 1.07368644 0.62637051 1\n C C2 1 1.05364424 0.07165212 0.09201217 1\n C C3 1 0.45220001 0.43673132 0.62882914 1\n C C4 1 0.61950907 0.87066405 0.39713563 1\n C C5 1 0.60912289 0.54494931 1.11954851 1\n C C6 1 0.28039070 0.71141722 0.51754956 1\n C C7 1 0.13516336 0.30033420 -0.07280999 1\n C C8 1 0.83243996 0.61099788 0.93174428 1\n C C9 1 0.85039648 0.35443517 0.26402995 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.74122000\n_cell_length_b 2.48339000\n_cell_length_c 3.84383000\n_cell_angle_alpha 90.01593000\n_cell_angle_beta 90.03907000\n_cell_angle_gamma 89.99816000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.71266249\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41700290 0.16300784 0.60517438 1\n C C1 1 0.14943629 0.16312330 0.89976289 1\n C C2 1 0.41737578 0.16331173 0.19432069 1\n C C3 1 0.65289027 0.66299840 0.60550920 1\n C C4 1 0.92083527 0.66312800 0.90007262 1\n C C5 1 0.65328737 0.66329922 0.19468431 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42987000\n_cell_length_b 2.42993000\n_cell_length_c 8.45728000\n_cell_angle_alpha 82.80277000\n_cell_angle_beta 82.11691000\n_cell_angle_gamma 59.99673000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.74146022\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31079135 0.04833316 0.57376670 1\n C C1 1 0.45932870 0.12772742 0.24744669 1\n C C2 1 0.55547449 0.22211640 0.91421385 1\n C C3 1 0.22228131 0.88909314 0.91367580 1\n C C4 1 0.97739034 0.71501132 0.57391732 1\n C C5 1 0.79272591 0.46123945 0.24734734 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40702000\n_cell_length_b 3.88611000\n_cell_length_c 4.66347000\n_cell_angle_alpha 83.34609000\n_cell_angle_beta 74.43449000\n_cell_angle_gamma 71.16781000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.26700353\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53167782 0.92996491 0.23363575 1\n C C1 1 0.48560242 0.60239972 0.09897502 1\n C C2 1 0.07316195 0.19040965 0.30272400 1\n C C3 1 0.71964188 0.78718809 0.51080135 1\n C C4 1 0.37702374 0.70160540 0.78850060 1\n C C5 1 0.06026497 0.09605920 0.79616246 1\n C C6 1 0.80359107 0.20801914 0.09217021 1\n C C7 1 0.14349342 0.51636903 0.37723495 1\n C C8 1 0.33250812 0.37365193 0.65294302 1\n C C9 1 0.79130741 0.11275632 0.58529025 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43397000\n_cell_length_b 3.43609000\n_cell_length_c 4.91727000\n_cell_angle_alpha 123.25575000\n_cell_angle_beta 100.95621000\n_cell_angle_gamma 86.82381000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.55029914\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38821164 0.56109148 0.43452673 1\n C C1 1 0.71152064 0.32447173 1.00160229 1\n C C2 1 0.08284767 0.63398472 0.20239452 1\n C C3 1 0.37422623 0.67320220 1.01313067 1\n C C4 1 0.90932757 0.08174509 0.43426560 1\n C C5 1 0.61773682 0.04209427 0.62375807 1\n C C6 1 0.28015775 0.39112251 0.63540494 1\n C C7 1 0.60305187 1.15418271 0.20210427 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42764000\n_cell_length_b 4.20551000\n_cell_length_c 5.93503000\n_cell_angle_alpha 79.86626000\n_cell_angle_beta 102.20557000\n_cell_angle_gamma 90.01054000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.25671792\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18888383 0.81024919 0.88449073 1\n C C1 1 0.69576910 0.64464417 0.38367229 1\n C C2 1 1.19611738 0.81093002 0.38410860 1\n C C3 1 0.68883193 0.31026056 0.88447071 1\n C C4 1 0.68829444 0.64408065 0.88363923 1\n C C5 1 0.19583497 0.14463277 0.38371244 1\n C C6 1 0.18828408 0.14406000 0.88370617 1\n C C7 1 0.69617467 0.31092335 0.38413113 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.23090000\n_cell_length_b 3.20739000\n_cell_length_c 5.18977000\n_cell_angle_alpha 65.11574000\n_cell_angle_beta 114.91965000\n_cell_angle_gamma 110.92636000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.17478973\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80941167 0.34794079 0.88959640 1\n C C1 1 0.65615310 0.50083432 0.58279377 1\n C C2 1 0.21578134 0.55899709 0.08373888 1\n C C3 1 0.25028112 0.28931337 0.38854771 1\n C C4 1 0.59756660 0.94258240 0.08372880 1\n C C5 1 0.86687978 0.90722793 0.38825644 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48122000\n_cell_length_b 3.68908000\n_cell_length_c 4.84182000\n_cell_angle_alpha 57.42472000\n_cell_angle_beta 75.24188000\n_cell_angle_gamma 70.37038000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02398495\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11041733 0.77330987 0.35932315 1\n C C1 1 0.68876279 0.48551608 0.49036827 1\n C C2 1 0.64970585 0.19080184 -0.14455878 1\n C C3 1 0.91007294 0.24677663 0.28401192 1\n C C4 1 0.22810376 0.90317952 0.98628351 1\n C C5 1 0.42948443 0.42939366 1.06229035 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43147000\n_cell_length_b 3.86331000\n_cell_length_c 6.85128000\n_cell_angle_alpha 73.74812000\n_cell_angle_beta 110.85214000\n_cell_angle_gamma 90.16718000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.40273831\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00997114 -0.06700456 0.48452250 1\n C C1 1 0.25998650 0.68303089 0.23451349 1\n C C2 1 0.59127343 1.01940681 0.56654143 1\n C C3 1 0.84121543 -0.23059648 0.31653533 1\n C C4 1 0.50992850 0.43302760 0.98450739 1\n C C5 1 0.75993516 1.18301690 0.73451080 1\n C C6 1 0.09123080 0.51943897 0.06652632 1\n C C7 1 0.34126677 0.26941751 0.81653803 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48115000\n_cell_length_b 4.84298000\n_cell_length_c 3.68962000\n_cell_angle_alpha 57.37408000\n_cell_angle_beta 109.64242000\n_cell_angle_gamma 104.86042000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00802539\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74703853 0.98908158 0.20253670 1\n C C1 1 0.48844977 0.41756900 0.25840628 1\n C C2 1 0.29091322 0.49294643 0.78556505 1\n C C3 1 0.71252743 0.62400229 0.49772885 1\n C C4 1 0.16897555 0.12006794 -0.08507354 1\n C C5 1 0.96890331 0.19546106 0.44147346 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45932000\n_cell_length_b 6.67918000\n_cell_length_c 4.54459000\n_cell_angle_alpha 105.82312000\n_cell_angle_beta 74.25334000\n_cell_angle_gamma 90.05021000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.91062202\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82888240 0.16703506 0.30509409 1\n C C1 1 0.18219775 0.64492930 0.60577991 1\n C C2 1 0.66002122 0.96030159 0.64290922 1\n C C3 1 0.36882067 0.60627890 0.23049457 1\n C C4 1 0.83657099 0.94163566 0.29240900 1\n C C5 1 -0.05569229 0.48628062 0.07906863 1\n C C6 1 0.56230031 0.17659658 0.83481350 1\n C C7 1 0.67481089 0.31358222 0.61578372 1\n C C8 1 -0.03967723 0.24886624 1.04013821 1\n C C9 1 0.41695571 0.81567516 0.13241236 1\n C C10 1 0.60694008 0.77256888 0.75675382 1\n C C11 1 1.12798861 0.45067461 0.71046917 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.01289000\n_cell_length_b 3.75740000\n_cell_length_c 7.16152000\n_cell_angle_alpha 119.54905000\n_cell_angle_beta 61.54061000\n_cell_angle_gamma 87.90832000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.96636521\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28298703 0.48295608 0.02981740 1\n C C1 1 0.49990569 0.55636072 0.41676377 1\n C C2 1 0.98725257 0.31916041 0.17994135 1\n C C3 1 0.74413840 0.75644856 0.79881833 1\n C C4 1 0.20507142 1.02098710 0.56714306 1\n C C5 1 0.28295397 0.85494667 0.02984676 1\n C C6 1 0.74364873 0.11922733 0.79807586 1\n C C7 1 0.20501248 0.39276213 0.56719788 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44255000\n_cell_length_b 5.71784000\n_cell_length_c 4.79357000\n_cell_angle_alpha 98.39399000\n_cell_angle_beta 90.12450000\n_cell_angle_gamma 102.13515000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.71302501\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48523946 0.71616696 0.98767673 1\n C C1 1 0.27727361 0.28809597 0.24981965 1\n C C2 1 0.07246044 0.88574271 0.41221767 1\n C C3 1 1.04760431 0.84000160 0.09588507 1\n C C4 1 0.60204781 0.93995874 0.54958363 1\n C C5 1 0.38275608 0.51156109 0.80992074 1\n C C6 1 0.82176532 0.38734424 0.70265204 1\n C C7 1 -0.30496443 0.12292103 0.81062584 1\n C C8 1 0.80261096 0.34229988 0.38680798 1\n C C9 1 0.18710314 0.10560098 -0.01198406 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48175000\n_cell_length_b 3.68817000\n_cell_length_c 4.89562000\n_cell_angle_alpha 66.93831000\n_cell_angle_beta 59.53411000\n_cell_angle_gamma 70.33852000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99568394\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41258385 0.78108388 0.64978931 1\n C C1 1 0.39627720 0.22691465 0.44332560 1\n C C2 1 0.71105862 0.74170155 0.87180857 1\n C C3 1 0.43735489 0.13902754 -0.05248194 1\n C C4 1 0.68781732 0.38318629 0.57410664 1\n C C5 1 -0.27264468 0.29632919 0.07832142 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44991000\n_cell_length_b 4.90391000\n_cell_length_c 5.44996000\n_cell_angle_alpha 116.74446000\n_cell_angle_beta 90.03645000\n_cell_angle_gamma 90.00503000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.47203273\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99210486 0.16915240 0.21102274 1\n C C1 1 0.49350229 0.19352331 0.58706135 1\n C C2 1 0.99311215 0.03724249 0.41651724 1\n C C3 1 0.99332304 0.50610999 0.41676093 1\n C C4 1 -0.50825192 0.59744232 1.06736178 1\n C C5 1 0.49156196 0.26568948 0.87908634 1\n C C6 1 0.99260368 0.69387180 0.26112192 1\n C C7 1 0.49130679 1.07468744 1.02233884 1\n C C8 1 0.49368123 0.51999953 0.58712257 1\n C C9 1 0.49191911 0.74027074 0.87870458 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47636000\n_cell_length_b 4.34927000\n_cell_length_c 11.89752000\n_cell_angle_alpha 93.31252000\n_cell_angle_beta 90.02169000\n_cell_angle_gamma 89.96718000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 127.92642870\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07061899 0.51868248 0.74671130 1\n C C1 1 0.57204083 0.84869041 0.15601927 1\n C C2 1 0.57086184 0.53881352 0.81012090 1\n C C3 1 0.07066754 0.46818065 0.63427557 1\n C C4 1 0.57265699 0.11039038 0.23508798 1\n C C5 1 0.07265340 0.09372853 0.30814008 1\n C C6 1 0.57316296 0.36290306 0.16295495 1\n C C7 1 0.07169322 -0.11399432 -0.03059907 1\n C C8 1 0.07190475 0.38900427 0.39433971 1\n C C9 1 0.07245755 0.25264332 0.97203594 1\n C C10 1 0.07290101 0.40637920 0.09226166 1\n C C11 1 0.07190889 0.77314125 0.08899582 1\n C C12 1 0.57157517 0.73711571 0.91981224 1\n C C13 1 0.57289484 0.62841349 0.24320591 1\n C C14 1 0.57071495 0.44081535 0.57335220 1\n C C15 1 0.57172729 0.39881343 0.46079087 1\n C C16 1 1.07288126 0.67402319 0.31252598 1\n C C17 1 0.57214180 0.38585498 0.92247799 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51787000\n_cell_length_b 2.48796000\n_cell_length_c 4.30489000\n_cell_angle_alpha 106.78553000\n_cell_angle_beta 114.11326000\n_cell_angle_gamma 90.00802000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62253332\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97467570 0.71558739 1.00826076 1\n C C1 1 0.64134236 0.38225405 0.34159410 1\n C C2 1 0.05824350 0.54898015 0.67514020 1\n C C3 1 0.39157684 -0.11768652 0.34180687 1\n C C4 1 0.72491017 0.21564681 0.00847354 1\n C C5 1 0.30800903 0.04892072 0.67492743 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43784000\n_cell_length_b 5.96781000\n_cell_length_c 4.82530000\n_cell_angle_alpha 106.94385000\n_cell_angle_beta 82.89202000\n_cell_angle_gamma 106.92419000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.18736977\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90643687 0.36130589 0.84061156 1\n C C1 1 0.45566162 0.45756324 0.95483623 1\n C C2 1 0.17756122 0.01259375 0.53576867 1\n C C3 1 -0.03486329 0.92038291 0.81440119 1\n C C4 1 0.39814556 0.89968679 0.95330200 1\n C C5 1 0.59359947 0.66035941 0.21877971 1\n C C6 1 0.78154984 0.17050562 0.56558881 1\n C C7 1 0.47470976 0.47396370 0.37967645 1\n C C8 1 0.19990875 0.81711365 0.23731021 1\n C C9 1 -0.10251791 0.37037624 0.42522927 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47271000\n_cell_length_b 6.12483000\n_cell_length_c 7.34855000\n_cell_angle_alpha 104.61589000\n_cell_angle_beta 99.74251000\n_cell_angle_gamma 89.97609000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 106.03424449\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63535172 0.66001760 0.17614416 1\n C C1 1 -0.26364463 1.00996817 0.37938477 1\n C C2 1 0.96516425 0.52584895 0.83465639 1\n C C3 1 0.40586103 0.45966700 0.71729924 1\n C C4 1 0.00646876 0.77603173 0.91491480 1\n C C5 1 0.66895828 0.29299653 0.24129092 1\n C C6 1 0.93860442 0.13877619 0.77340401 1\n C C7 1 1.03110980 0.35681044 -0.04088347 1\n C C8 1 0.92647012 0.88332399 0.75034433 1\n C C9 1 -0.27134040 0.77329999 0.36894865 1\n C C10 1 0.31652507 0.55005860 0.54255547 1\n C C11 1 0.23357486 0.34209474 0.37346268 1\n C C12 1 0.28103942 0.13608880 0.46524750 1\n C C13 1 0.38770207 0.20621267 0.67584488 1\n C C14 1 0.81983563 0.70186014 0.54985030 1\n C C15 1 0.59443605 0.41061945 0.08594188 1\n C C16 1 0.63881872 0.04243618 0.18686074 1\n C C17 1 0.57079673 0.82582974 0.04675198 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45609000\n_cell_length_b 6.27315000\n_cell_length_c 6.60368000\n_cell_angle_alpha 101.26268000\n_cell_angle_beta 96.41437000\n_cell_angle_gamma 105.04910000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 94.93624208\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52550256 0.58256617 0.03112413 1\n C C1 1 0.91177807 0.66847195 0.71339910 1\n C C2 1 1.21957794 0.61286071 0.38453821 1\n C C3 1 0.29064142 0.11811007 0.60243933 1\n C C4 1 0.77873073 0.14920031 0.28949695 1\n C C5 1 0.64750073 0.57820881 0.26432533 1\n C C6 1 1.03613206 0.65830161 0.94630855 1\n C C7 1 0.72858341 1.02058133 0.89808511 1\n C C8 1 0.13620189 0.88174958 0.89331982 1\n C C9 1 0.42383744 0.36079224 0.08757030 1\n C C10 1 0.79537423 0.10170593 0.70056288 1\n C C11 1 0.83258287 0.22235571 0.08667709 1\n C C12 1 0.28636446 0.13590818 0.38897309 1\n C C13 1 0.34142119 0.63649480 0.59329902 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43256000\n_cell_length_b 4.04619000\n_cell_length_c 4.59586000\n_cell_angle_alpha 84.20090000\n_cell_angle_beta 104.32974000\n_cell_angle_gamma 91.26477000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.60332607\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19431951 0.01388806 0.89632884 1\n C C1 1 0.86114974 0.34644055 0.22997379 1\n C C2 1 0.74864395 0.12587814 1.00730734 1\n C C3 1 0.08265380 0.79027077 0.67565258 1\n C C4 1 0.41527075 0.45969315 0.34040659 1\n C C5 1 0.52823475 0.67825854 0.56453246 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46920000\n_cell_length_b 5.20325000\n_cell_length_c 5.44358000\n_cell_angle_alpha 95.45341000\n_cell_angle_beta 97.46535000\n_cell_angle_gamma 93.25793000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.86192579\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46902192 0.84356337 0.39790194 1\n C C1 1 0.44336437 1.02716013 0.20448946 1\n C C2 1 -0.08872922 0.46463406 0.17017558 1\n C C3 1 0.36386069 0.83420750 -0.02503194 1\n C C4 1 0.15724619 0.18874467 0.58618484 1\n C C5 1 0.98297491 0.19257707 0.27102331 1\n C C6 1 0.80914137 0.84662673 0.81848014 1\n C C7 1 0.81333493 0.58842684 0.65440802 1\n C C8 1 -0.07682180 0.67330568 0.39695167 1\n C C9 1 0.29149859 0.44790650 0.72998451 1\n C C10 1 0.65697101 0.03166557 0.62445223 1\n C C11 1 0.37151754 0.52588649 1.01965554 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42581000\n_cell_length_b 5.71750000\n_cell_length_c 4.17970000\n_cell_angle_alpha 106.75873000\n_cell_angle_beta 90.27876000\n_cell_angle_gamma 101.78177000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.21326653\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67386094 0.68739841 0.73412899 1\n C C1 1 0.30306135 0.94266269 0.21703344 1\n C C2 1 0.54323162 0.42384181 0.50716052 1\n C C3 1 0.52550468 0.37794755 0.13944084 1\n C C4 1 0.21805919 0.77627318 0.89151222 1\n C C5 1 0.84880954 0.03153056 0.37428018 1\n C C6 1 1.01009296 0.34608305 0.97165463 1\n C C7 1 -0.01924099 0.29587854 0.60228429 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45279000\n_cell_length_b 6.17592000\n_cell_length_c 4.73264000\n_cell_angle_alpha 95.74899000\n_cell_angle_beta 74.96109000\n_cell_angle_gamma 89.99996000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.86226506\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30307967 0.11128999 0.25051703 1\n C C1 1 1.16943274 0.54947374 0.52196907 1\n C C2 1 -0.08995426 0.39197081 1.04043463 1\n C C3 1 0.71480875 0.18591720 0.42618102 1\n C C4 1 0.06709205 0.94116198 0.72198759 1\n C C5 1 0.20138883 0.78019068 0.45967075 1\n C C6 1 0.34453121 0.86814180 0.17477785 1\n C C7 1 0.56866253 0.08934425 0.71809169 1\n C C8 1 0.94082591 0.80611903 0.98253580 1\n C C9 1 0.73470483 0.42944511 0.38956042 1\n C C10 1 1.00355003 0.57600101 0.85633113 1\n C C11 1 0.43572942 0.24593270 -0.01018967 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48789000\n_cell_length_b 2.48879000\n_cell_length_c 6.57767000\n_cell_angle_alpha 79.05923000\n_cell_angle_beta 67.73972000\n_cell_angle_gamma 59.96682000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.63175033\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25516897 -0.12307676 0.07407118 1\n C C1 1 0.58905730 0.54359205 0.40742656 1\n C C2 1 0.00530324 0.87711908 0.32436281 1\n C C3 1 0.92232959 0.21032914 0.74027373 1\n C C4 1 0.67186850 1.21052288 0.99047548 1\n C C5 1 0.33851559 0.54383960 0.65738744 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46901000\n_cell_length_b 5.93928000\n_cell_length_c 7.85987000\n_cell_angle_alpha 89.20017000\n_cell_angle_beta 86.38803000\n_cell_angle_gamma 84.16754000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 114.43050969\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44498793 0.71038802 -0.00541963 1\n C C1 1 0.30307318 0.67457883 0.36874079 1\n C C2 1 0.38796195 0.41603262 0.35959811 1\n C C3 1 -0.02775621 0.36588845 0.91751650 1\n C C4 1 0.44401655 0.51029815 0.88574098 1\n C C5 1 1.02941695 0.21526570 0.75507176 1\n C C6 1 0.49771863 -0.04936245 0.91401586 1\n C C7 1 0.95394985 0.23524717 0.09122795 1\n C C8 1 0.79573953 0.91402631 0.58863617 1\n C C9 1 0.40854271 0.54686363 0.68311425 1\n C C10 1 1.33407839 0.76083039 0.57088953 1\n C C11 1 0.58248074 0.06476628 0.74354996 1\n C C12 1 0.44480324 0.24909555 0.20324279 1\n C C13 1 0.77159137 0.77944066 0.28574632 1\n C C14 1 -0.04861672 0.07871037 0.43643206 1\n C C15 1 -0.09211400 0.76914962 0.09736838 1\n C C16 1 0.96388184 0.00480643 1.01527203 1\n C C17 1 -0.09131421 0.33404917 0.45640081 1\n C C18 1 0.51716097 0.03521842 0.32783828 1\n C C19 1 0.94241601 0.41114910 0.63455509 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46000000\n_cell_length_b 3.39256000\n_cell_length_c 6.02400000\n_cell_angle_alpha 109.23606000\n_cell_angle_beta 101.84782000\n_cell_angle_gamma 111.14114000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.16460449\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02862095 0.71594852 0.27832470 1\n C C1 1 0.27192087 0.92729962 0.55380025 1\n C C2 1 0.49792895 0.78321015 0.15129955 1\n C C3 1 0.65798783 0.17264464 0.08313097 1\n C C4 1 0.88513245 0.02808999 0.68060137 1\n C C5 1 0.12793065 0.23979629 0.95618705 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47362000\n_cell_length_b 4.95963000\n_cell_length_c 4.30715000\n_cell_angle_alpha 89.94327000\n_cell_angle_beta 89.96130000\n_cell_angle_gamma 60.11977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.81688362\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24665460 1.05982948 0.20893208 1\n C C1 1 0.60843935 0.69829560 0.84853338 1\n C C2 1 0.24652152 1.05980259 0.84853895 1\n C C3 1 0.24634442 0.55988311 0.34858199 1\n C C4 1 0.24658370 0.55975414 0.70897434 1\n C C5 1 0.60850212 0.19838150 0.34848628 1\n C C6 1 0.60843456 0.19837325 0.70891885 1\n C C7 1 0.60826664 0.69845033 0.20896853 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45141000\n_cell_length_b 3.48599000\n_cell_length_c 5.86088000\n_cell_angle_alpha 117.23565000\n_cell_angle_beta 83.35171000\n_cell_angle_gamma 88.11604000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.98109496\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57078086 0.68475970 0.13404446 1\n C C1 1 0.26431994 0.72755256 -0.01934567 1\n C C2 1 0.90075699 0.30487624 0.42584488 1\n C C3 1 -0.11033407 0.01342213 0.14281268 1\n C C4 1 0.41472500 0.79351678 0.39853514 1\n C C5 1 0.13006845 1.13715051 0.54510059 1\n C C6 1 0.61168823 0.65285386 0.54451073 1\n C C7 1 1.14030811 0.26386777 0.82340544 1\n C C8 1 0.76599695 0.22669295 0.98188722 1\n C C9 1 0.46102464 0.94352271 0.82329774 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.10695000\n_cell_length_b 2.43292000\n_cell_length_c 8.66528000\n_cell_angle_alpha 81.85956000\n_cell_angle_beta 105.42778000\n_cell_angle_gamma 113.56129000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.83037839\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02080691 0.23255646 0.85978446 1\n C C1 1 0.90244234 0.73657100 0.77628134 1\n C C2 1 0.23964168 0.73834693 0.10964248 1\n C C3 1 0.68034154 1.25298627 0.52554209 1\n C C4 1 0.75699879 0.74886106 0.60910304 1\n C C5 1 0.51159724 0.25205030 0.35903250 1\n C C6 1 0.42259296 0.74902212 0.27592793 1\n C C7 1 0.14950847 0.23463785 0.02667446 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42992000\n_cell_length_b 2.42955000\n_cell_length_c 8.46462000\n_cell_angle_alpha 93.09083000\n_cell_angle_beta 85.63736000\n_cell_angle_gamma 59.98912000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.90130326\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52906912 0.44527811 0.69887373 1\n C C1 1 1.20143187 0.44631218 0.03366855 1\n C C2 1 0.86788602 1.11242666 0.03337006 1\n C C3 1 0.37880379 -0.08895597 0.36605014 1\n C C4 1 0.04561445 0.57815846 0.36601781 1\n C C5 1 -0.13698084 0.77869116 0.69856081 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43674000\n_cell_length_b 6.10748000\n_cell_length_c 7.27243000\n_cell_angle_alpha 118.33259000\n_cell_angle_beta 70.66164000\n_cell_angle_gamma 112.92486000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.30090981\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79097442 0.25602920 0.18711299 1\n C C1 1 0.23517569 0.31221846 0.29847329 1\n C C2 1 0.12414087 0.42266330 0.52042197 1\n C C3 1 0.45704863 0.58901381 0.85378783 1\n C C4 1 0.45777406 1.08949272 0.85376311 1\n C C5 1 -0.09880971 0.64517554 0.96518764 1\n C C6 1 0.56865902 0.97915233 0.63179485 1\n C C7 1 0.56821886 0.47874942 0.63180332 1\n C C8 1 0.79051259 0.75585212 0.18714927 1\n C C9 1 0.12442063 -0.07704713 0.52042558 1\n C C10 1 0.90187233 0.14554366 0.96515024 1\n C C11 1 1.23489971 0.81220227 0.29850213 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.08791000\n_cell_length_b 3.63981000\n_cell_length_c 10.22895000\n_cell_angle_alpha 62.05233000\n_cell_angle_beta 114.26640000\n_cell_angle_gamma 115.30630000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.56183393\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02408909 0.41415765 0.72817022 1\n C C1 1 0.36617969 0.93757167 0.32379252 1\n C C2 1 0.92944259 0.74523163 0.22909220 1\n C C3 1 0.40074759 0.87065211 0.97962048 1\n C C4 1 0.16746057 0.03058415 0.82231984 1\n C C5 1 -0.16496302 0.06364138 0.07447982 1\n C C6 1 0.61034459 0.78331645 0.48056663 1\n C C7 1 0.77405721 1.02754167 0.57357645 1\n C C8 1 0.75949644 0.40296743 0.57425530 1\n C C9 1 1.00688746 0.78893400 0.72869195 1\n C C10 1 0.22569520 0.44087464 0.07374675 1\n C C11 1 0.53992499 0.36725982 0.22958754 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.56907000\n_cell_length_b 6.01854000\n_cell_length_c 4.72705000\n_cell_angle_alpha 115.80650000\n_cell_angle_beta 88.68918000\n_cell_angle_gamma 126.79422000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.46551709\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19797753 0.35405461 0.18564949 1\n C C1 1 -0.04767620 0.55186482 0.92027685 1\n C C2 1 0.58535271 0.56512839 0.32016509 1\n C C3 1 0.03728961 0.49808337 0.37962029 1\n C C4 1 0.74631269 0.42143864 0.12675625 1\n C C5 1 0.72602528 0.85394208 0.62313260 1\n C C6 1 0.83169001 0.36839494 0.58689381 1\n C C7 1 0.40323833 0.86480936 0.59177819 1\n C C8 1 0.28933879 0.88505539 0.09589919 1\n C C9 1 0.49461995 0.03510723 0.41062760 1\n C C10 1 0.38012801 0.05480939 0.91427060 1\n C C11 1 1.05715590 0.06537559 0.88269005 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48692000\n_cell_length_b 4.83456000\n_cell_length_c 6.67636000\n_cell_angle_alpha 99.75241000\n_cell_angle_beta 90.01276000\n_cell_angle_gamma 59.03524000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.47653141\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70666470 0.65261235 0.57903329 1\n C C1 1 0.70167455 0.15849417 0.59656359 1\n C C2 1 1.40127167 0.95617534 0.89115965 1\n C C3 1 0.35239994 0.50661659 0.04709399 1\n C C4 1 0.13071399 0.22815988 0.27019610 1\n C C5 1 0.78215895 0.07711138 0.34116455 1\n C C6 1 0.12907576 0.72895114 0.89045831 1\n C C7 1 0.33298189 0.52586310 0.66501475 1\n C C8 1 0.14860918 0.70973174 0.27253531 1\n C C9 1 0.77593408 0.58322390 0.35859827 1\n C C10 1 1.07915079 0.27901643 1.04646960 1\n C C11 1 0.35230580 0.00785038 0.66759629 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48069000\n_cell_length_b 3.68874000\n_cell_length_c 4.21633000\n_cell_angle_alpha 75.16157000\n_cell_angle_beta 89.97138000\n_cell_angle_gamma 70.37154000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97285574\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.30414641 0.77615116 0.63624204 1\n C C1 1 0.37424730 0.41753357 0.33819783 1\n C C2 1 0.17620552 0.81495735 0.41378243 1\n C C3 1 -0.08299111 0.33064648 0.84248382 1\n C C4 1 0.95298661 0.26024391 0.20745320 1\n C C5 1 0.49486318 0.17456813 0.71129908 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.77395000\n_cell_length_b 3.63775000\n_cell_length_c 4.98966000\n_cell_angle_alpha 67.82541000\n_cell_angle_beta 70.26953000\n_cell_angle_gamma 88.53644000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.58816146\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.28366122 0.53532600 0.76100194 1\n C C1 1 0.47256255 0.32188971 0.56983257 1\n C C2 1 -0.03256289 0.38154786 0.06986471 1\n C C3 1 0.47285615 0.94081260 0.56902631 1\n C C4 1 0.77700922 0.59476572 0.26112245 1\n C C5 1 -0.22348814 0.97617821 0.26155982 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45213000\n_cell_length_b 4.07703000\n_cell_length_c 4.53671000\n_cell_angle_alpha 87.37600000\n_cell_angle_beta 74.10926000\n_cell_angle_gamma 89.91039000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.57353088\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46829195 0.63809160 0.92003963 1\n C C1 1 0.04016229 0.69671928 0.77807326 1\n C C2 1 0.20366891 0.82564965 0.45234305 1\n C C3 1 0.30518771 0.51772347 0.24740459 1\n C C4 1 0.73170137 0.01559897 0.39509045 1\n C C5 1 0.77594817 0.32863552 0.30762202 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43177000\n_cell_length_b 6.36979000\n_cell_length_c 5.41379000\n_cell_angle_alpha 88.66332000\n_cell_angle_beta 89.97806000\n_cell_angle_gamma 100.98760000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 82.29821177\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24935211 1.10177531 0.37900935 1\n C C1 1 0.02912946 0.66150166 0.22931215 1\n C C2 1 0.04434101 0.69513350 0.74888582 1\n C C3 1 1.09679767 0.79580838 0.99132943 1\n C C4 1 0.74101642 0.09043052 0.78781222 1\n C C5 1 0.56670569 0.73928632 0.36140084 1\n C C6 1 0.69084641 -0.01623969 0.29294141 1\n C C7 1 -0.08817275 0.42550174 0.23896269 1\n C C8 1 0.25241116 0.11228605 0.66075874 1\n C C9 1 0.36115393 0.32269192 0.27297297 1\n C C10 1 0.54009606 0.68662723 0.62512228 1\n C C11 1 0.66942003 0.94241476 1.01319151 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31633000\n_cell_length_b 3.51838000\n_cell_length_c 4.83435000\n_cell_angle_alpha 111.35466000\n_cell_angle_beta 133.33468000\n_cell_angle_gamma 89.98324000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.52330733\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37488435 0.36923364 0.40229046 1\n C C1 1 0.97658598 0.90604291 0.17092959 1\n C C2 1 0.30947338 0.60131567 0.17078557 1\n C C3 1 0.34627372 0.67414692 0.70727966 1\n C C4 1 1.01298800 0.36940998 0.70690671 1\n C C5 1 -0.05230114 -0.09391262 0.47579332 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46236000\n_cell_length_b 5.92905000\n_cell_length_c 6.39374000\n_cell_angle_alpha 101.31804000\n_cell_angle_beta 101.08909000\n_cell_angle_gamma 102.00270000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.84334516\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85168936 1.05244225 0.39999998 1\n C C1 1 0.77151738 0.45788222 0.83312851 1\n C C2 1 0.32087744 0.92869396 0.46435869 1\n C C3 1 0.18421088 0.05751306 0.05629960 1\n C C4 1 0.03146854 0.32925938 0.48536677 1\n C C5 1 1.02244041 -0.02310280 0.81313841 1\n C C6 1 0.62991589 0.39731875 0.61498292 1\n C C7 1 0.35931477 0.33057359 0.13781946 1\n C C8 1 0.68655414 0.97033321 0.14897818 1\n C C9 1 0.55486069 0.71342821 0.14845181 1\n C C10 1 0.97275423 0.42095584 0.27750154 1\n C C11 1 0.11120522 0.68856509 0.28511908 1\n C C12 1 1.45381305 0.94917971 0.70416173 1\n C C13 1 0.35233548 0.48771213 0.96482871 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42949000\n_cell_length_b 6.18806000\n_cell_length_c 4.88697000\n_cell_angle_alpha 87.48627000\n_cell_angle_beta 76.23292000\n_cell_angle_gamma 90.15809000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.28391299\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31478305 0.71266571 0.54911434 1\n C C1 1 0.94196436 1.01320767 0.30530527 1\n C C2 1 0.46125210 0.60014407 0.26093716 1\n C C3 1 0.19939083 0.32758812 0.79931522 1\n C C4 1 0.44425339 0.36090413 0.30170851 1\n C C5 1 0.66937311 -0.02268889 -0.15271315 1\n C C6 1 0.04939765 0.66710062 0.08199403 1\n C C7 1 0.08141491 0.91055002 0.02504871 1\n C C8 1 0.19259363 0.56335753 0.80287180 1\n C C9 1 0.94070551 0.24884652 0.30888802 1\n C C10 1 0.80975615 0.86430568 0.55954964 1\n C C11 1 0.69522702 0.21574452 0.80657384 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48662000\n_cell_length_b 4.30189000\n_cell_length_c 4.30242000\n_cell_angle_alpha 48.24067000\n_cell_angle_beta 73.32179000\n_cell_angle_gamma 73.33566000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59126908\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70107743 0.83259031 0.48071166 1\n C C1 1 0.36774410 0.16592365 0.81404500 1\n C C2 1 0.20115760 0.08253535 0.23074704 1\n C C3 1 0.86782427 0.41586869 0.56408037 1\n C C4 1 0.53449094 0.74920202 -0.10258630 1\n C C5 1 0.03441076 0.49925698 0.14737833 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43249000\n_cell_length_b 3.94264000\n_cell_length_c 6.34569000\n_cell_angle_alpha 108.57528000\n_cell_angle_beta 90.80194000\n_cell_angle_gamma 89.35401000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.68043290\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.09380783 0.14795933 0.53572410 1\n C C1 1 0.90595901 0.14801566 1.03569430 1\n C C2 1 0.40622286 0.64795003 0.28574258 1\n C C3 1 0.40594359 0.64802605 0.78566924 1\n C C4 1 0.40590122 0.98012819 0.95251556 1\n C C5 1 0.90593191 0.48011889 0.70253404 1\n C C6 1 0.90616507 0.48006256 0.20256385 1\n C C7 1 0.40618048 0.98005217 0.45258890 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43096000\n_cell_length_b 4.53214000\n_cell_length_c 4.56779000\n_cell_angle_alpha 89.73718000\n_cell_angle_beta 117.84088000\n_cell_angle_gamma 101.47415000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.38371623\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68408759 0.35643057 0.31333734 1\n C C1 1 1.01745588 0.68974968 -0.01995158 1\n C C2 1 0.35076442 0.02307681 0.64668817 1\n C C3 1 0.12803206 0.46791729 0.20162979 1\n C C4 1 0.79472352 0.13459016 0.53499004 1\n C C5 1 0.46140035 0.80123640 0.86834087 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45283000\n_cell_length_b 5.93900000\n_cell_length_c 5.77232000\n_cell_angle_alpha 99.99396000\n_cell_angle_beta 115.19205000\n_cell_angle_gamma 114.29799000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.84608624\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50391016 0.20707659 0.37358696 1\n C C1 1 1.02749211 0.52097927 0.58383310 1\n C C2 1 0.17071622 0.75402823 0.49256422 1\n C C3 1 0.96495748 0.93182036 0.60906032 1\n C C4 1 0.62993136 0.47865390 0.72829634 1\n C C5 1 0.04851677 0.58900101 0.03691689 1\n C C6 1 0.10647899 0.16481957 0.51805385 1\n C C7 1 1.08528415 0.09549845 1.06470159 1\n C C8 1 0.74462013 0.64251369 0.17905555 1\n C C9 1 0.39166473 1.04352754 0.92265276 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48456000\n_cell_length_b 4.77136000\n_cell_length_c 4.99570000\n_cell_angle_alpha 83.45084000\n_cell_angle_beta 90.00038000\n_cell_angle_gamma 74.94886000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.79070609\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13269469 0.53674427 0.87170498 1\n C C1 1 0.46918271 0.86271711 0.49284813 1\n C C2 1 0.90140413 -0.00272263 0.10912684 1\n C C3 1 0.86385609 0.07996769 0.81963039 1\n C C4 1 -0.00362675 0.80937132 0.66528364 1\n C C5 1 0.48917544 0.82073672 0.19578636 1\n C C6 1 0.27602199 0.25667101 0.73309739 1\n C C7 1 0.63079227 0.53991484 0.05868646 1\n C C8 1 0.76870561 0.26790870 0.26491695 1\n C C9 1 0.29502813 0.21462466 0.43652597 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52084000\n_cell_length_b 4.58348000\n_cell_length_c 5.25873000\n_cell_angle_alpha 76.68419000\n_cell_angle_beta 90.00670000\n_cell_angle_gamma 90.03336000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.12698689\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50084767 0.60887213 0.27544527 1\n C C1 1 1.00089359 0.70750530 0.10416682 1\n C C2 1 0.50041362 0.24970919 0.29094141 1\n C C3 1 0.50075787 0.71829102 0.52337401 1\n C C4 1 1.00108169 0.50252256 0.92642432 1\n C C5 1 0.50010612 1.00945724 0.53740938 1\n C C6 1 0.00041876 0.22495581 0.13362557 1\n C C7 1 0.50085790 0.47727114 0.76901861 1\n C C8 1 0.50019381 0.11640188 0.78625275 1\n C C9 1 1.00025797 0.01882092 0.95645987 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47165000\n_cell_length_b 3.68190000\n_cell_length_c 8.25456000\n_cell_angle_alpha 65.40908000\n_cell_angle_beta 90.04606000\n_cell_angle_gamma 90.06228000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.30630288\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01316860 0.32278184 0.61645038 1\n C C1 1 0.01282235 0.84012635 0.10546629 1\n C C2 1 0.51292739 0.64426687 0.21442539 1\n C C3 1 0.51295259 0.23536262 0.21737675 1\n C C4 1 0.51264241 0.80441880 0.36225954 1\n C C5 1 0.01263784 0.66089956 0.46458734 1\n C C6 1 1.01312258 0.67673290 0.95833869 1\n C C7 1 0.01283784 0.24769575 0.10378732 1\n C C8 1 0.51309961 1.13912662 0.69878528 1\n C C9 1 0.51311328 0.81177557 0.85513311 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47468000\n_cell_length_b 4.80462000\n_cell_length_c 4.28127000\n_cell_angle_alpha 63.50731000\n_cell_angle_beta 90.00334000\n_cell_angle_gamma 75.05536000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.62585424\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70522874 0.96119635 0.85349937 1\n C C1 1 0.45538840 0.46119870 0.27035157 1\n C C2 1 1.01868250 0.33534039 0.16672763 1\n C C3 1 0.76865867 0.83537876 0.58304343 1\n C C4 1 0.51852298 0.33530867 0.66679581 1\n C C5 1 0.95521819 0.46129858 0.77028118 1\n C C6 1 0.20531155 0.96127760 0.35341467 1\n C C7 1 0.26865747 0.83524246 0.08312644 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42498000\n_cell_length_b 6.18146000\n_cell_length_c 5.72222000\n_cell_angle_alpha 62.18324000\n_cell_angle_beta 90.14791000\n_cell_angle_gamma 101.42451000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.96017354\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98240333 0.78139610 0.25058136 1\n C C1 1 0.68175114 0.17332609 1.00399636 1\n C C2 1 0.73863018 0.29530766 0.49676040 1\n C C3 1 0.24382584 0.29885889 0.91339925 1\n C C4 1 0.36406360 0.53954644 0.66208539 1\n C C5 1 0.47878309 0.77817084 0.67510938 1\n C C6 1 0.17602248 0.16881132 0.53635227 1\n C C7 1 1.04174663 0.90392712 0.63960756 1\n C C8 1 -0.13663214 0.53909231 0.50067839 1\n C C9 1 0.54589386 0.90813893 0.16402565 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48756000\n_cell_length_b 4.06127000\n_cell_length_c 5.31010000\n_cell_angle_alpha 104.06331000\n_cell_angle_beta 117.88792000\n_cell_angle_gamma 90.01724000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.58660579\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30898796 0.58942083 0.61206760 1\n C C1 1 0.53536491 0.38803305 0.83727287 1\n C C2 1 0.38772455 0.15691240 0.19057995 1\n C C3 1 0.45769660 0.82355289 0.25965893 1\n C C4 1 -0.19538332 0.81542162 0.60746009 1\n C C5 1 1.00201807 0.35804360 0.30489004 1\n C C6 1 0.84352760 0.62241370 0.14498051 1\n C C7 1 0.04057813 0.16396822 0.84283511 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49544000\n_cell_length_b 4.35535000\n_cell_length_c 5.02374000\n_cell_angle_alpha 115.83565000\n_cell_angle_beta 119.78833000\n_cell_angle_gamma 89.99974000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.97884544\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80512695 0.19574255 0.60699120 1\n C C1 1 0.75370226 0.74770955 0.05532687 1\n C C2 1 0.46003548 0.85020082 0.26171234 1\n C C3 1 0.40819147 0.74742385 0.70997641 1\n C C4 1 0.40777689 0.40222230 0.70951817 1\n C C5 1 -0.19492545 -0.14917286 0.60694272 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43100000\n_cell_length_b 4.20268000\n_cell_length_c 8.46242000\n_cell_angle_alpha 82.90881000\n_cell_angle_beta 92.67874000\n_cell_angle_gamma 90.06940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.70215231\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28154310 0.80570491 0.95835485 1\n C C1 1 0.28411442 0.27960124 0.28873875 1\n C C2 1 0.33958335 0.59760593 0.61818794 1\n C C3 1 -0.16040803 0.09760832 0.61820318 1\n C C4 1 0.78401905 0.44621681 0.28854237 1\n C C5 1 0.78412025 0.77958692 0.28873711 1\n C C6 1 1.33939661 0.26476937 0.61758182 1\n C C7 1 0.28136878 0.47251932 0.95817406 1\n C C8 1 0.78153346 0.30570965 0.95835111 1\n C C9 1 0.78137452 0.97251399 0.95816991 1\n C C10 1 0.28401709 0.94620458 0.28854998 1\n C C11 1 -0.16060830 0.76476507 0.61759093 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46227000\n_cell_length_b 5.92460000\n_cell_length_c 6.39430000\n_cell_angle_alpha 73.90399000\n_cell_angle_beta 101.11589000\n_cell_angle_gamma 102.02465000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.74688372\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71595938 0.19007926 0.93911840 1\n C C1 1 -0.30251612 0.96550012 0.12401231 1\n C C2 1 0.05631919 0.42293531 0.38391961 1\n C C3 1 0.85962675 0.80745134 0.60377425 1\n C C4 1 0.84807709 0.44718501 -0.06188866 1\n C C5 1 0.00957069 0.89765016 0.81178105 1\n C C6 1 0.53465800 0.80739670 0.95203120 1\n C C7 1 0.32824610 0.87637506 0.47408342 1\n C C8 1 1.16843400 0.40623250 0.62261623 1\n C C9 1 0.24872006 0.93683657 0.25591728 1\n C C10 1 0.51655236 0.45045557 0.27468180 1\n C C11 1 0.43842802 0.53382292 0.03144537 1\n C C12 1 0.76335848 0.52977083 0.68691724 1\n C C13 1 1.13528589 0.16533796 0.80288552 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26747000\n_cell_length_b 3.62832000\n_cell_length_c 4.23666000\n_cell_angle_alpha 131.55153000\n_cell_angle_beta 84.80516000\n_cell_angle_gamma 104.42449000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.20946267\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92464086 0.40703133 1.13017293 1\n C C1 1 0.13858559 -0.04254631 0.91747397 1\n C C2 1 0.19348716 0.84306211 0.18489083 1\n C C3 1 0.56442964 1.04651758 0.76932793 1\n C C4 1 0.51020065 0.16038151 0.50189281 1\n C C5 1 0.77736659 0.59664108 0.55643213 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43863000\n_cell_length_b 8.48049000\n_cell_length_c 6.44596000\n_cell_angle_alpha 131.46391000\n_cell_angle_beta 100.93596000\n_cell_angle_gamma 89.97727000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 96.65193751\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60563330 0.48100439 0.11954888 1\n C C1 1 0.92859003 0.45538015 0.76773867 1\n C C2 1 0.12615417 0.89104738 0.18734464 1\n C C3 1 0.38471916 0.47780846 0.68207174 1\n C C4 1 1.30429160 0.55442989 0.52722736 1\n C C5 1 0.04346586 0.46210679 -0.00411643 1\n C C6 1 -0.08207263 -0.09975732 0.76166290 1\n C C7 1 0.05088639 0.12962561 0.02220495 1\n C C8 1 0.71299385 0.47017393 0.34332361 1\n C C9 1 0.60728827 0.23382807 0.13193154 1\n C C10 1 0.79927239 0.90611526 0.53219977 1\n C C11 1 0.55959407 0.85842057 1.05325339 1\n C C12 1 0.42162759 0.80020402 0.76851370 1\n C C13 1 0.24901702 0.91431710 0.43130167 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43212000\n_cell_length_b 4.17829000\n_cell_length_c 6.06321000\n_cell_angle_alpha 109.01878000\n_cell_angle_beta 90.59334000\n_cell_angle_gamma 90.84980000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.23758749\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87518360 -0.09371061 0.19494224 1\n C C1 1 0.87517734 0.40605120 0.69480567 1\n C C2 1 0.37524482 0.82288347 0.27894909 1\n C C3 1 0.37521566 0.15698323 0.94557808 1\n C C4 1 0.37522704 0.32218946 0.77859691 1\n C C5 1 -0.12482050 0.57128578 0.52779994 1\n C C6 1 0.37523418 0.65783213 0.44598265 1\n C C7 1 -0.12482474 0.07074533 0.02755532 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41380000\n_cell_length_b 3.41741000\n_cell_length_c 4.88981000\n_cell_angle_alpha 69.61439000\n_cell_angle_beta 69.76399000\n_cell_angle_gamma 89.39513000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.77937251\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.14623410 0.25461558 0.27658589 1\n C C1 1 0.75404223 0.32326270 0.78016737 1\n C C2 1 0.18391822 0.58420391 0.11679583 1\n C C3 1 0.34494146 0.76293784 0.27699635 1\n C C4 1 0.77211294 0.02435391 0.61342788 1\n C C5 1 0.67505909 0.09266417 0.11677777 1\n C C6 1 0.11335309 0.68349149 0.61335192 1\n C C7 1 0.41335406 0.66448279 0.78019438 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48700000\n_cell_length_b 4.05840000\n_cell_length_c 5.31380000\n_cell_angle_alpha 104.04908000\n_cell_angle_beta 62.05566000\n_cell_angle_gamma 90.03801000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.56075965\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68521029 0.28903508 0.64591839 1\n C C1 1 0.53865714 0.52290987 0.29405608 1\n C C2 1 1.03373579 0.29727043 0.29881393 1\n C C3 1 0.61529366 0.95689107 0.71629764 1\n C C4 1 1.07004872 0.49002516 0.76085517 1\n C C5 1 0.76465281 0.72373353 0.06830271 1\n C C6 1 0.22919805 0.75584142 0.60202731 1\n C C7 1 0.26986386 0.94891315 0.06310436 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48278000\n_cell_length_b 4.78152000\n_cell_length_c 8.34350000\n_cell_angle_alpha 106.74559000\n_cell_angle_beta 98.52766000\n_cell_angle_gamma 89.96943000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.70745030\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89926559 1.02909009 0.89255658 1\n C C1 1 0.99584935 0.24419257 0.07694562 1\n C C2 1 0.80340361 0.40449370 0.69876728 1\n C C3 1 0.51892628 0.44516475 0.11963564 1\n C C4 1 0.61321966 0.65885663 0.30405472 1\n C C5 1 0.48374690 0.76432893 0.05483401 1\n C C6 1 0.39608618 0.83510837 0.88675266 1\n C C7 1 0.27081082 -0.00243795 0.62642319 1\n C C8 1 0.82030492 0.11696352 0.72993168 1\n C C9 1 0.70754069 0.28207939 0.49791684 1\n C C10 1 0.69241955 0.56937808 0.46655227 1\n C C11 1 1.11623898 0.85420653 0.31055761 1\n C C12 1 0.24214069 0.68891723 0.57009290 1\n C C13 1 0.02976939 0.92881679 0.14310025 1\n C C14 1 0.31778651 0.58479390 0.72873140 1\n C C15 1 0.19391958 0.10280866 0.46851985 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.81875000\n_cell_length_b 4.83180000\n_cell_length_c 3.45903000\n_cell_angle_alpha 125.77099000\n_cell_angle_beta 69.60587000\n_cell_angle_gamma 135.84712000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.15773532\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52592557 0.49984060 0.51274744 1\n C C1 1 0.87213699 0.15495575 0.51533519 1\n C C2 1 0.08628339 0.56092140 0.51609120 1\n C C3 1 0.93016474 0.71341915 0.51321910 1\n C C4 1 0.49052256 0.77449994 0.51656286 1\n C C5 1 0.14431114 1.11938480 0.51397511 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.38073000\n_cell_length_b 4.76102000\n_cell_length_c 4.67238000\n_cell_angle_alpha 98.75070000\n_cell_angle_beta 104.64277000\n_cell_angle_gamma 95.75256000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.20266583\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24076932 0.31051512 0.06202140 1\n C C1 1 0.76239002 0.49385766 0.12477092 1\n C C2 1 0.40006723 0.03306119 0.73824890 1\n C C3 1 0.48212653 0.34296512 0.88883473 1\n C C4 1 0.87182043 1.01381691 0.39394040 1\n C C5 1 0.87938281 0.85078785 0.67670730 1\n C C6 1 0.99974309 0.55007934 0.66433820 1\n C C7 1 0.76918870 0.33112506 0.40671534 1\n C C8 1 0.59110450 0.80858704 0.79143763 1\n C C9 1 0.35964467 0.52281134 0.65136633 1\n C C10 1 0.64178584 -0.20495691 0.13681248 1\n C C11 1 0.28086729 0.82049687 0.14854052 1\n C C12 1 0.05082278 0.53555864 0.00977875 1\n C C13 1 0.23997521 0.02574562 0.41608043 1\n C C14 1 0.15899823 1.00172862 -0.08802193 1\n C C15 1 0.40038556 0.31695783 0.38439179 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47779000\n_cell_length_b 2.47792000\n_cell_length_c 6.31142000\n_cell_angle_alpha 78.68001000\n_cell_angle_beta 78.68595000\n_cell_angle_gamma 59.98726000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68204796\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65818379 0.77969637 0.58505781 1\n C C1 1 0.74051534 0.86146283 0.33773682 1\n C C2 1 0.96373376 0.08453699 0.66881970 1\n C C3 1 0.88108607 0.99871675 0.91996734 1\n C C4 1 0.43554996 0.55456510 0.25482197 1\n C C5 1 0.52028679 0.63680936 1.00397515 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40664000\n_cell_length_b 3.35153000\n_cell_length_c 4.58004000\n_cell_angle_alpha 111.46708000\n_cell_angle_beta 90.74995000\n_cell_angle_gamma 87.92024000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.63271902\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54557745 0.63130723 0.44284572 1\n C C1 1 0.53493882 -0.02674153 -0.23698600 1\n C C2 1 0.05878370 0.59790381 0.04807564 1\n C C3 1 0.89220677 0.37241083 0.26233210 1\n C C4 1 0.23837390 0.29484774 0.44288862 1\n C C5 1 0.24827004 0.27203261 0.76296120 1\n C C6 1 0.39235386 0.86026946 0.23736722 1\n C C7 1 0.72601477 0.93242065 0.04794020 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45779000\n_cell_length_b 4.88317000\n_cell_length_c 6.00478000\n_cell_angle_alpha 81.72564000\n_cell_angle_beta 101.80514000\n_cell_angle_gamma 90.03044000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.77845316\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23406796 0.96722339 0.42631415 1\n C C1 1 0.44788203 0.85843979 0.85034999 1\n C C2 1 0.51346102 0.37486435 0.97784744 1\n C C3 1 -0.08734918 1.02946228 0.77997751 1\n C C4 1 0.61520102 0.51943739 0.18319938 1\n C C5 1 0.01238278 0.20251784 0.97605172 1\n C C6 1 0.28467520 0.59558702 0.52656187 1\n C C7 1 0.40798193 0.59369901 0.77420765 1\n C C8 1 0.10974409 -0.03609559 0.17371367 1\n C C9 1 0.73767214 0.44283230 0.43372059 1\n C C10 1 0.78029713 0.10926668 0.51641610 1\n C C11 1 0.57636887 0.81340354 0.10863863 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48016000\n_cell_length_b 2.48029000\n_cell_length_c 9.00991000\n_cell_angle_alpha 74.00472000\n_cell_angle_beta 65.59830000\n_cell_angle_gamma 59.98251000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.53664092\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36115164 -0.02457656 0.29917406 1\n C C1 1 -0.30673118 0.55920582 0.55004252 1\n C C2 1 0.60923542 0.03792332 0.11318542 1\n C C3 1 0.94396638 0.62152348 0.36181892 1\n C C4 1 0.27393014 0.45458811 0.86458233 1\n C C5 1 0.02574637 0.39183035 0.05103561 1\n C C6 1 -0.05764708 0.87197102 0.61313927 1\n C C7 1 0.69090411 0.80866747 0.80200456 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.54231000\n_cell_length_b 5.34936000\n_cell_length_c 4.67958000\n_cell_angle_alpha 114.49338000\n_cell_angle_beta 71.51163000\n_cell_angle_gamma 119.32173000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.62466347\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07293362 0.70271570 0.27339686 1\n C C1 1 0.37696933 0.56473997 0.17802119 1\n C C2 1 0.72711484 0.76258339 -0.01530761 1\n C C3 1 0.49111281 0.08746509 0.75022667 1\n C C4 1 0.16018972 0.25036337 0.97856882 1\n C C5 1 0.40820909 1.03775697 0.41960732 1\n C C6 1 0.04328725 0.63647150 0.91724981 1\n C C7 1 0.22212385 0.24414545 0.45000744 1\n C C8 1 0.87514147 0.08174316 0.21171733 1\n C C9 1 0.48269620 0.78482171 0.75926804 1\n C C10 1 0.56746840 0.57688636 0.42664481 1\n C C11 1 0.95632033 0.30189414 0.77545393 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47582000\n_cell_length_b 4.18412000\n_cell_length_c 4.79166000\n_cell_angle_alpha 115.86695000\n_cell_angle_beta 90.00497000\n_cell_angle_gamma 90.00450000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.66422526\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19107809 0.65500065 0.25587091 1\n C C1 1 0.19109837 0.32118833 0.58934449 1\n C C2 1 0.69112343 1.07772804 0.10055636 1\n C C3 1 0.19099394 -0.04819944 0.58912103 1\n C C4 1 0.69106984 0.70789533 0.10093137 1\n C C5 1 0.19111189 0.28540489 0.25554867 1\n C C6 1 0.69109998 0.89857614 0.74348100 1\n C C7 1 0.69112336 0.52874087 0.74378718 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46949000\n_cell_length_b 4.82225000\n_cell_length_c 6.27517000\n_cell_angle_alpha 68.35555000\n_cell_angle_beta 80.71580000\n_cell_angle_gamma 87.12462000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.54538633\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58561321 0.27923168 0.34401560 1\n C C1 1 -0.19825603 0.72865323 0.94450908 1\n C C2 1 0.90790737 0.57827530 0.51102718 1\n C C3 1 0.42626099 0.00999793 0.57214062 1\n C C4 1 0.75675711 0.16303427 0.15244854 1\n C C5 1 0.28232890 0.96689628 0.19677933 1\n C C6 1 0.38237614 0.77506327 0.46610068 1\n C C7 1 0.83478479 0.32735612 0.73688733 1\n C C8 1 0.07895501 0.46267274 0.31904838 1\n C C9 1 0.82981095 0.41298836 0.92627349 1\n C C10 1 0.86304210 0.01304377 0.71825623 1\n C C11 1 1.23838706 0.73224236 0.09059913 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48119000\n_cell_length_b 3.68964000\n_cell_length_c 4.84472000\n_cell_angle_alpha 57.34423000\n_cell_angle_beta 75.16764000\n_cell_angle_gamma 70.32462000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00614443\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86374657 0.43020752 0.36283656 1\n C C1 1 0.60629245 0.37426264 0.93477269 1\n C C2 1 0.40472149 0.84802104 0.85896735 1\n C C3 1 0.82637963 0.13564245 0.72805089 1\n C C4 1 1.08685581 0.19139953 0.15649741 1\n C C5 1 0.28524745 0.71800731 0.23181011 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48428000\n_cell_length_b 6.61968000\n_cell_length_c 7.44577000\n_cell_angle_alpha 63.43062000\n_cell_angle_beta 80.40258000\n_cell_angle_gamma 79.18583000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 107.09174780\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23842664 0.27706612 1.00372254 1\n C C1 1 0.57640155 0.14773911 0.46153755 1\n C C2 1 0.59708433 0.82912464 0.74710944 1\n C C3 1 0.34479615 0.83443829 0.24466988 1\n C C4 1 0.56030489 0.37124500 0.26327694 1\n C C5 1 0.32963658 0.52288723 0.57661245 1\n C C6 1 0.66373324 0.36506166 0.06453900 1\n C C7 1 0.98790718 0.49074490 0.28960656 1\n C C8 1 0.66712486 0.57781517 0.84824536 1\n C C9 1 0.34642008 0.04206402 1.03420894 1\n C C10 1 1.24072638 0.48468551 0.79216470 1\n C C11 1 0.68045299 0.89172025 0.51624270 1\n C C12 1 -0.08160065 0.74163697 0.18834701 1\n C C13 1 0.92133714 0.95438918 0.97275981 1\n C C14 1 0.00848269 0.17253270 0.57485729 1\n C C15 1 0.25563470 0.79706621 0.45977462 1\n C C16 1 0.02433363 0.94916852 0.77339916 1\n C C17 1 0.90468813 0.42849934 0.52000034 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.84328000\n_cell_length_b 4.84833000\n_cell_length_c 5.97384000\n_cell_angle_alpha 113.66341000\n_cell_angle_beta 101.72268000\n_cell_angle_gamma 96.35595000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.13611919\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69213775 0.73055780 0.29007297 1\n C C1 1 0.69463857 0.28689468 0.88650309 1\n C C2 1 0.69464636 0.08427550 -0.00116235 1\n C C3 1 -0.30775320 0.21168794 0.25355140 1\n C C4 1 0.69452613 0.25904471 0.64484594 1\n C C5 1 0.69601100 0.55750966 0.64525081 1\n C C6 1 -0.30669113 0.04615697 0.40185204 1\n C C7 1 0.69500263 0.76940323 0.88769164 1\n C C8 1 0.69302036 0.52786836 0.40249885 1\n C C9 1 0.69540322 0.60341104 0.03556103 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46974000\n_cell_length_b 3.23643000\n_cell_length_c 5.18239000\n_cell_angle_alpha 91.42100000\n_cell_angle_beta 90.01290000\n_cell_angle_gamma 112.51852000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.25137648\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14537506 0.54288669 0.04175433 1\n C C1 1 0.64537314 0.54328260 0.88899974 1\n C C2 1 0.33254890 0.91580305 0.26119964 1\n C C3 1 0.65583222 0.56558510 0.63257675 1\n C C4 1 -0.02916607 0.19312928 0.26012460 1\n C C5 1 0.15599046 0.56607428 0.47979793 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43181000\n_cell_length_b 4.61601000\n_cell_length_c 6.98928000\n_cell_angle_alpha 99.94702000\n_cell_angle_beta 102.51141000\n_cell_angle_gamma 72.67245000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.62276911\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95523735 0.09551547 0.38615339 1\n C C1 1 1.02206218 0.82850867 0.25318487 1\n C C2 1 0.61670149 0.43111145 0.05080806 1\n C C3 1 0.42364582 0.22807607 0.45430367 1\n C C4 1 0.14861251 0.29801505 -0.01614401 1\n C C5 1 0.21747797 0.02981410 0.85206961 1\n C C6 1 0.75153917 0.89588538 0.78601288 1\n C C7 1 -0.17917815 0.62872065 0.65369489 1\n C C8 1 0.55248904 0.69625759 0.18472695 1\n C C9 1 0.35528911 0.49465088 0.58720959 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40522000\n_cell_length_b 3.41970000\n_cell_length_c 4.91705000\n_cell_angle_alpha 110.11903000\n_cell_angle_beta 110.75889000\n_cell_angle_gamma 90.69242000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.68501931\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56410493 0.26475939 0.33070678 1\n C C1 1 0.45856070 0.18585122 -0.00518456 1\n C C2 1 0.99009048 0.16646196 0.82711035 1\n C C3 1 0.05625129 0.75732499 0.33136751 1\n C C4 1 -0.11516009 0.08573293 0.49104681 1\n C C5 1 0.39289023 0.59316190 0.49065850 1\n C C6 1 0.79899624 0.52674234 0.99422145 1\n C C7 1 0.64942893 0.82482426 0.82778925 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43192000\n_cell_length_b 4.81537000\n_cell_length_c 4.22584000\n_cell_angle_alpha 82.28874000\n_cell_angle_beta 73.30826000\n_cell_angle_gamma 75.38201000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.76578418\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70686775 0.15266018 0.83154054 1\n C C1 1 0.95041009 0.61192659 0.88502382 1\n C C2 1 0.10326882 0.90005892 0.29372842 1\n C C3 1 0.11944799 0.64101371 0.52007678 1\n C C4 1 0.72262014 0.89368834 0.05822269 1\n C C5 1 0.87548918 0.18176179 0.46690496 1\n C C6 1 0.33777339 0.36494684 0.35925306 1\n C C7 1 0.48778194 0.42887064 0.99206712 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47714000\n_cell_length_b 4.14348000\n_cell_length_c 6.07839000\n_cell_angle_alpha 94.55292000\n_cell_angle_beta 78.29641000\n_cell_angle_gamma 89.98849000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.89015170\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.21415828 1.00507690 0.31821928 1\n C C1 1 0.28697599 0.22439881 0.31585645 1\n C C2 1 0.56858337 0.78138057 0.74018407 1\n C C3 1 0.45853710 0.97040627 0.96728249 1\n C C4 1 0.41267462 0.31216902 1.06124366 1\n C C5 1 0.90356326 0.83852848 1.07769894 1\n C C6 1 0.20593528 0.52378383 0.47686216 1\n C C7 1 0.94546625 0.48115384 -0.00397635 1\n C C8 1 1.06464175 0.57102379 0.74868050 1\n C C9 1 0.70544127 0.74294690 0.47767281 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47857000\n_cell_length_b 2.47765000\n_cell_length_c 6.31074000\n_cell_angle_alpha 101.30500000\n_cell_angle_beta 89.99050000\n_cell_angle_gamma 120.04059000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67783496\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00851059 0.86926538 0.67430383 1\n C C1 1 0.78812534 0.42622810 1.00913363 1\n C C2 1 0.56305573 -0.02354231 0.33937472 1\n C C3 1 0.09342950 1.03754063 0.92539322 1\n C C4 1 -0.13041837 0.58851584 0.25643760 1\n C C5 1 0.64653591 0.14554006 0.59023621 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33006000\n_cell_length_b 3.43056000\n_cell_length_c 7.75467000\n_cell_angle_alpha 95.94240000\n_cell_angle_beta 122.29810000\n_cell_angle_gamma 92.09819000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.03360096\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53106120 0.47238018 0.74313333 1\n C C1 1 0.86448958 0.16353269 0.74178209 1\n C C2 1 0.70783001 0.58249009 0.48457520 1\n C C3 1 0.00126115 0.03943499 0.29580713 1\n C C4 1 1.05785980 0.30262760 0.07841806 1\n C C5 1 0.29156742 0.22703202 0.96328692 1\n C C6 1 0.64166927 0.54946514 0.96364306 1\n C C7 1 0.54877670 0.78526470 0.62429572 1\n C C8 1 0.29205156 0.33880958 0.30278095 1\n C C9 1 0.02945866 0.27978211 0.60730982 1\n C C10 1 0.03469831 -0.09130162 0.48099034 1\n C C11 1 0.70306424 0.95957263 0.06173139 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48813000\n_cell_length_b 4.30643000\n_cell_length_c 3.51792000\n_cell_angle_alpha 114.09551000\n_cell_angle_beta 89.99131000\n_cell_angle_gamma 106.79465000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.64150611\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.22712266 0.07135272 0.89910657 1\n C C1 1 0.27286589 1.07130025 0.64873440 1\n C C2 1 0.60619922 0.73796691 -0.01793227 1\n C C3 1 0.93953256 0.40463358 0.31540106 1\n C C4 1 0.43954401 0.40468605 0.56577324 1\n C C5 1 0.10621068 0.73801939 0.23243990 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.94851000\n_cell_length_b 4.61759000\n_cell_length_c 3.80838000\n_cell_angle_alpha 121.01074000\n_cell_angle_beta 102.62471000\n_cell_angle_gamma 97.05279000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.72578334\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00020204 0.20084881 0.82224261 1\n C C1 1 0.49754317 0.53230829 0.65759432 1\n C C2 1 0.75003559 0.70079161 1.07283463 1\n C C3 1 0.24754424 0.03256170 0.90772704 1\n C C4 1 0.50020204 0.20084881 0.32224261 1\n C C5 1 0.74754424 0.03256170 0.40772704 1\n C C6 1 0.25003559 0.70079161 0.57283463 1\n C C7 1 0.99754317 0.53230829 0.15759432 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48193000\n_cell_length_b 3.68946000\n_cell_length_c 4.21919000\n_cell_angle_alpha 75.26903000\n_cell_angle_beta 90.05887000\n_cell_angle_gamma 70.33652000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02678508\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56431609 0.72160020 0.06264229 1\n C C1 1 0.11111071 0.63526438 0.56659471 1\n C C2 1 0.30833533 0.23788564 0.49093753 1\n C C3 1 -0.21122442 0.27608091 0.26916662 1\n C C4 1 0.53257527 0.79241753 0.69735335 1\n C C5 1 0.98633762 0.87801233 0.19373530 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48118000\n_cell_length_b 4.21717000\n_cell_length_c 3.68822000\n_cell_angle_alpha 75.10069000\n_cell_angle_beta 70.36674000\n_cell_angle_gamma 89.92751000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97224620\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48186008 0.92328539 -0.02149073 1\n C C1 1 0.90325125 0.05383806 0.13595505 1\n C C2 1 -0.31725225 0.84742779 0.58097990 1\n C C3 1 1.16257828 0.62500228 0.62117492 1\n C C4 1 0.94094687 0.41884201 1.06651543 1\n C C5 1 0.36278618 0.54988718 0.22293102 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48459000\n_cell_length_b 6.02384000\n_cell_length_c 5.79765000\n_cell_angle_alpha 45.70675000\n_cell_angle_beta 77.59971000\n_cell_angle_gamma 65.62500000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.21281138\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27340733 0.57975505 -0.10529447 1\n C C1 1 0.91960732 0.65060199 0.45962493 1\n C C2 1 0.79296923 0.96926613 1.07633173 1\n C C3 1 0.35916376 0.98558278 -0.08792717 1\n C C4 1 0.64759667 0.65535632 -0.00647558 1\n C C5 1 0.77567408 0.33659325 0.37662103 1\n C C6 1 0.29458087 0.72603833 0.55849097 1\n C C7 1 0.53334001 0.20503409 0.12536280 1\n C C8 1 0.03635097 0.10061404 0.32756983 1\n C C9 1 0.20964318 0.32018143 0.54076764 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55664000\n_cell_length_b 4.57788000\n_cell_length_c 4.60055000\n_cell_angle_alpha 103.90802000\n_cell_angle_beta 106.03176000\n_cell_angle_gamma 90.04897000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.10289494\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13786516 0.07713110 0.08644255 1\n C C1 1 0.23161995 0.88695798 0.27291309 1\n C C2 1 0.39716251 0.03232229 0.60504969 1\n C C3 1 0.22178669 0.36834484 0.25280964 1\n C C4 1 0.14844891 0.59571971 0.10687577 1\n C C5 1 0.97354569 0.56862626 0.75878166 1\n C C6 1 0.97132448 -0.06882038 0.75426986 1\n C C7 1 0.39510022 0.39466480 0.60115163 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43000000\n_cell_length_b 2.42933000\n_cell_length_c 8.54899000\n_cell_angle_alpha 98.81562000\n_cell_angle_beta 89.68943000\n_cell_angle_gamma 120.01625000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.03238167\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55270081 0.36087949 0.09602475 1\n C C1 1 0.21876657 0.69298448 0.09593398 1\n C C2 1 1.20195994 0.65208009 0.43038090 1\n C C3 1 0.86863695 0.98541546 0.43077515 1\n C C4 1 0.97285250 0.21555382 0.76083688 1\n C C5 1 0.63960972 0.54914476 0.76107093 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.23543000\n_cell_length_b 4.05495000\n_cell_length_c 4.66007000\n_cell_angle_alpha 84.39095000\n_cell_angle_beta 102.58288000\n_cell_angle_gamma 78.81797000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.90760202\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02400906 0.71577404 0.95253687 1\n C C1 1 0.33786513 0.39633134 0.63725061 1\n C C2 1 0.57659336 0.16889506 0.50321599 1\n C C3 1 0.33637999 0.40504343 0.94819795 1\n C C4 1 0.89233715 0.85211965 0.18702508 1\n C C5 1 0.86187235 0.87490839 0.66332590 1\n C C6 1 0.04346603 0.68617148 0.47507103 1\n C C7 1 0.58156764 0.16417422 0.19155966 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49597000\n_cell_length_b 4.35811000\n_cell_length_c 4.34982000\n_cell_angle_alpha 119.90463000\n_cell_angle_beta 90.01252000\n_cell_angle_gamma 89.99252000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.01625610\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79623481 0.52807935 0.50400296 1\n C C1 1 0.79618002 0.87250492 0.84938946 1\n C C2 1 0.29622654 0.97664252 0.05598425 1\n C C3 1 0.79629860 -0.12669987 0.50448801 1\n C C4 1 0.29625160 0.97710913 0.40159284 1\n C C5 1 0.29625244 0.32151715 0.40026307 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47672000\n_cell_length_b 4.25904000\n_cell_length_c 5.94474000\n_cell_angle_alpha 110.99777000\n_cell_angle_beta 102.02732000\n_cell_angle_gamma 89.99605000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.06709755\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69289504 0.58298347 0.82412397 1\n C C1 1 0.45421245 0.36085717 0.34690899 1\n C C2 1 -0.00593046 0.22697603 0.42725353 1\n C C3 1 0.82373951 0.58212372 0.09017591 1\n C C4 1 1.13634716 0.37045552 0.71262764 1\n C C5 1 0.65681592 0.88999022 0.75316388 1\n C C6 1 0.19785333 0.10428670 0.83409524 1\n C C7 1 0.95921811 0.84924776 0.35632264 1\n C C8 1 0.32385580 0.36686017 0.09018224 1\n C C9 1 0.51608984 0.74874764 0.46834447 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48439000\n_cell_length_b 4.05078000\n_cell_length_c 5.01143000\n_cell_angle_alpha 113.86562000\n_cell_angle_beta 85.56796000\n_cell_angle_gamma 101.01999000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.27093119\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92006402 0.97797766 0.15504327 1\n C C1 1 0.73063478 0.79484360 0.62971696 1\n C C2 1 0.42003493 0.35782342 0.91366040 1\n C C3 1 0.05044491 0.31024210 0.43904233 1\n C C4 1 0.36738011 0.74712516 0.15496588 1\n C C5 1 0.86751281 0.12634636 0.91358671 1\n C C6 1 0.23061721 0.69949648 0.43894224 1\n C C7 1 0.55036802 0.40554512 0.62975421 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.20615000\n_cell_length_b 4.72346000\n_cell_length_c 6.14655000\n_cell_angle_alpha 71.57687000\n_cell_angle_beta 87.52029000\n_cell_angle_gamma 82.76716000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.61006600\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84426099 0.09936533 0.13735692 1\n C C1 1 0.48338150 0.69520361 0.77038303 1\n C C2 1 0.48247286 0.18288103 0.76968101 1\n C C3 1 0.68657561 0.68016605 0.97535157 1\n C C4 1 0.16718464 0.09680142 0.45360066 1\n C C5 1 0.37076226 -0.00400643 0.65562731 1\n C C6 1 0.68651803 0.99306606 -0.02463776 1\n C C7 1 0.15645926 0.60180220 0.44448629 1\n C C8 1 0.05038976 0.39691698 0.34144931 1\n C C9 1 0.37828974 0.49003041 0.66716907 1\n C C10 1 0.84446937 0.41239164 0.13753756 1\n C C11 1 0.05176088 0.90903521 0.34178853 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48198000\n_cell_length_b 3.84379000\n_cell_length_c 3.74280000\n_cell_angle_alpha 89.94956000\n_cell_angle_beta 90.00102000\n_cell_angle_gamma 89.98835000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.70708305\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.18305166 0.99664786 0.82464529 1\n C C1 1 0.81673085 0.29123409 0.55762973 1\n C C2 1 1.31696361 0.99616413 0.06203043 1\n C C3 1 0.31658900 0.58583331 1.06147427 1\n C C4 1 0.31674899 0.29083120 0.32840525 1\n C C5 1 0.81654830 0.58626882 0.82403584 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49639000\n_cell_length_b 3.99905000\n_cell_length_c 9.47095000\n_cell_angle_alpha 50.68392000\n_cell_angle_beta 97.56743000\n_cell_angle_gamma 90.00798000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.08389110\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01374574 0.40182859 0.56431389 1\n C C1 1 0.45180683 0.60796481 0.44207595 1\n C C2 1 0.19698711 0.47901650 0.93151423 1\n C C3 1 0.45137722 0.19404427 0.44183217 1\n C C4 1 0.75193436 -0.20436358 1.04376203 1\n C C5 1 0.01322746 1.03337247 0.56406021 1\n C C6 1 0.19698712 0.85456274 0.93144083 1\n C C7 1 0.82213514 0.27812290 0.19003613 1\n C C8 1 0.75190341 0.20088368 0.04369915 1\n C C9 1 0.38118211 0.10155057 0.30780925 1\n C C10 1 1.10704550 0.27822058 0.74627488 1\n C C11 1 0.10644890 0.61153729 0.74619569 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43214000\n_cell_length_b 3.47512000\n_cell_length_c 5.34178000\n_cell_angle_alpha 89.09582000\n_cell_angle_beta 77.90879000\n_cell_angle_gamma 88.85057000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.13502539\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01539016 0.07814698 0.37606007 1\n C C1 1 0.20836068 0.63533315 -0.06888544 1\n C C2 1 0.31793576 0.41125758 0.70947861 1\n C C3 1 0.54160525 0.96831317 0.26467913 1\n C C4 1 0.87492977 0.30160393 0.59807369 1\n C C5 1 0.65132921 0.74491890 0.04259293 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.96641000\n_cell_length_b 3.86406000\n_cell_length_c 3.95897000\n_cell_angle_alpha 68.93798000\n_cell_angle_beta 108.30655000\n_cell_angle_gamma 90.75233000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.88270210\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17539237 0.54357568 0.67493401 1\n C C1 1 0.67575903 0.49976275 0.64031211 1\n C C2 1 0.30621151 0.95096310 0.15953929 1\n C C3 1 0.42063616 0.73740472 0.60939311 1\n C C4 1 1.07700622 0.42582160 0.31819489 1\n C C5 1 0.00465446 0.83434261 0.01303376 1\n C C6 1 0.59064542 0.44708810 0.27106861 1\n C C7 1 0.51756722 0.85673189 0.96515061 1\n C C8 1 0.28864961 0.33080802 0.12438596 1\n C C9 1 -0.07974246 0.78250321 0.64276171 1\n C C10 1 0.83535877 0.18081836 0.31522008 1\n C C11 1 0.76015129 0.10101846 0.96883186 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60986000\n_cell_length_b 3.67718000\n_cell_length_c 4.65437000\n_cell_angle_alpha 66.65120000\n_cell_angle_beta 74.34717000\n_cell_angle_gamma 89.75572000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.22169283\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35583698 0.23523613 0.78743306 1\n C C1 1 0.18814512 0.57366606 0.10997993 1\n C C2 1 1.07160696 0.76887948 0.34321269 1\n C C3 1 0.18663433 0.19825413 0.11051488 1\n C C4 1 0.35595287 0.86036020 0.78715139 1\n C C5 1 0.47171915 0.66325821 0.55525945 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43219000\n_cell_length_b 4.86171000\n_cell_length_c 5.90148000\n_cell_angle_alpha 105.39870000\n_cell_angle_beta 77.27364000\n_cell_angle_gamma 120.21477000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.82214848\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87034989 0.43670401 0.79568938 1\n C C1 1 0.08783571 0.89393899 0.29507236 1\n C C2 1 0.42198194 0.72690822 0.29419685 1\n C C3 1 0.87034989 0.93670401 0.79568938 1\n C C4 1 1.08783571 0.39393899 0.29507236 1\n C C5 1 0.42198194 0.22690822 0.29419685 1\n C C6 1 0.53620366 0.10373478 0.79656489 1\n C C7 1 0.53620366 0.60373478 0.79656489 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44872000\n_cell_length_b 5.68813000\n_cell_length_c 5.59817000\n_cell_angle_alpha 123.82009000\n_cell_angle_beta 77.37468000\n_cell_angle_gamma 102.44487000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.78936685\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.26016547 0.70622376 0.79684266 1\n C C1 1 0.53361655 0.14137849 0.67902938 1\n C C2 1 0.53557570 0.43068803 0.96279939 1\n C C3 1 0.81010755 0.26604884 0.23928228 1\n C C4 1 0.69036023 0.63397068 0.86421656 1\n C C5 1 0.96485846 0.46887187 0.13986868 1\n C C6 1 0.09419643 0.07608510 0.49175388 1\n C C7 1 0.40624558 0.82394673 0.61148267 1\n C C8 1 0.24037399 0.19379654 0.30663025 1\n C C9 1 -0.03319755 0.75854457 0.42409006 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48392000\n_cell_length_b 4.04920000\n_cell_length_c 5.76319000\n_cell_angle_alpha 64.27689000\n_cell_angle_beta 60.07741000\n_cell_angle_gamma 78.97629000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.23642948\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58743687 0.83176892 0.93496963 1\n C C1 1 1.09711345 0.31733849 0.74368540 1\n C C2 1 0.24791014 0.64872423 0.45985750 1\n C C3 1 0.40509686 0.22184677 0.93487364 1\n C C4 1 0.98811716 0.26949517 0.21877804 1\n C C5 1 0.43607111 0.50032049 0.21866505 1\n C C6 1 0.69554706 0.87951023 0.46000365 1\n C C7 1 0.27891154 0.92729011 0.74390330 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49915000\n_cell_length_b 5.62545000\n_cell_length_c 7.31724000\n_cell_angle_alpha 68.95169000\n_cell_angle_beta 81.54195000\n_cell_angle_gamma 87.23688000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 94.96271232\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91582483 0.08465750 0.04844105 1\n C C1 1 0.54293409 0.66408384 0.60566874 1\n C C2 1 0.89980704 0.49909220 0.94842117 1\n C C3 1 0.04870772 0.83305654 0.59320821 1\n C C4 1 0.56240814 0.23151432 0.53921746 1\n C C5 1 0.22171718 0.30973200 0.25387152 1\n C C6 1 0.11168066 0.13423823 0.46244885 1\n C C7 1 0.44978268 0.17618118 -0.08891079 1\n C C8 1 0.45667796 0.46631198 0.83648679 1\n C C9 1 -0.06154532 0.73389705 -0.02876226 1\n C C10 1 1.00827763 0.79734536 0.12515888 1\n C C11 1 -0.02453303 0.91651569 0.77471147 1\n C C12 1 0.11046871 0.57385741 0.31098123 1\n C C13 1 0.57306929 0.52670696 0.44784830 1\n C C14 1 0.47767335 0.07633861 0.75215207 1\n C C15 1 0.79741897 0.28556631 0.14395610 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48432000\n_cell_length_b 4.08658000\n_cell_length_c 4.67676000\n_cell_angle_alpha 83.30313000\n_cell_angle_beta 74.58641000\n_cell_angle_gamma 90.00502000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.43619378\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10011649 0.02718452 0.61043754 1\n C C1 1 0.67390655 0.73999555 0.06725191 1\n C C2 1 1.01908727 0.33316075 0.37920123 1\n C C3 1 0.40082736 0.80175619 0.60870386 1\n C C4 1 0.24545457 0.62189722 0.92337894 1\n C C5 1 0.73092669 0.09588003 0.95130300 1\n C C6 1 0.51772784 0.55976330 0.38181178 1\n C C7 1 0.18918562 0.26638924 1.03717703 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45748000\n_cell_length_b 3.39694000\n_cell_length_c 5.88412000\n_cell_angle_alpha 89.14272000\n_cell_angle_beta 114.66575000\n_cell_angle_gamma 110.95376000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.16121185\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27956134 0.21068002 0.96556495 1\n C C1 1 0.61239298 -0.06450742 0.43460054 1\n C C2 1 0.31406963 0.47292196 0.37021386 1\n C C3 1 0.58549243 0.26944930 0.24187463 1\n C C4 1 0.34101384 0.13889379 0.56284640 1\n C C5 1 0.64575678 0.19659684 0.83915882 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.04822000\n_cell_length_b 2.87850000\n_cell_length_c 4.69190000\n_cell_angle_alpha 74.85249000\n_cell_angle_beta 66.63596000\n_cell_angle_gamma 60.36639000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.48006625\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65237548 0.31933285 0.68164089 1\n C C1 1 0.30547810 0.96924576 0.37074049 1\n C C2 1 0.09082975 0.37781534 0.18062765 1\n C C3 1 0.03368211 -0.05909236 0.68167359 1\n C C4 1 0.24790709 0.53089904 0.87153079 1\n C C5 1 0.68662797 0.58951247 0.37072549 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.71235000\n_cell_length_b 4.72312000\n_cell_length_c 5.44854000\n_cell_angle_alpha 72.02236000\n_cell_angle_beta 81.07154000\n_cell_angle_gamma 79.61614000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.87391232\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46124647 1.04728357 0.18420345 1\n C C1 1 -0.02784474 0.94319770 0.71139100 1\n C C2 1 0.45134880 0.55270248 0.17442901 1\n C C3 1 0.34906298 0.34676817 0.06966113 1\n C C4 1 0.97159680 0.63002813 0.71046283 1\n C C5 1 0.34950939 -0.14161827 1.07170600 1\n C C6 1 -0.23406989 0.64691103 0.50605352 1\n C C7 1 0.76540669 0.13500523 0.50458471 1\n C C8 1 0.13911660 0.36235969 0.86854005 1\n C C9 1 1.13844907 0.04912002 -0.13208253 1\n C C10 1 0.66809968 0.44111751 0.39887807 1\n C C11 1 0.65370615 0.94623894 0.39189907 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45501000\n_cell_length_b 4.16355000\n_cell_length_c 6.25139000\n_cell_angle_alpha 115.26832000\n_cell_angle_beta 100.71451000\n_cell_angle_gamma 91.42316000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.38584187\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13303378 0.09304914 0.13640144 1\n C C1 1 0.56588737 0.49911452 0.63294924 1\n C C2 1 0.29898552 0.09311918 0.77760425 1\n C C3 1 0.13000741 0.46262161 0.76861936 1\n C C4 1 0.67125996 0.61548582 0.14417578 1\n C C5 1 0.29736973 0.14432756 0.39874447 1\n C C6 1 0.57977427 0.22054177 0.05784506 1\n C C7 1 0.76665675 0.92050693 0.40224379 1\n C C8 1 0.72560276 0.87839767 0.64040469 1\n C C9 1 0.13378675 0.69435499 0.03072562 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35191000\n_cell_length_b 3.39687000\n_cell_length_c 5.74175000\n_cell_angle_alpha 127.02765000\n_cell_angle_beta 108.27306000\n_cell_angle_gamma 87.89729000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.55223842\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66022065 1.14348245 0.58910165 1\n C C1 1 0.32174709 0.90823778 0.87456057 1\n C C2 1 0.22079799 0.76327636 0.37516043 1\n C C3 1 0.61976510 0.61680309 0.87502961 1\n C C4 1 -0.00510827 -0.18954008 0.58891704 1\n C C5 1 0.29878009 0.23632397 0.19378191 1\n C C6 1 0.96253260 0.92772994 0.19401299 1\n C C7 1 0.73305725 0.28711748 0.39899130 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47975000\n_cell_length_b 2.56471000\n_cell_length_c 5.72593000\n_cell_angle_alpha 88.21565000\n_cell_angle_beta 102.49046000\n_cell_angle_gamma 89.96317000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53584829\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45663206 0.62460503 0.80282892 1\n C C1 1 0.87827647 0.63610798 0.64794353 1\n C C2 1 0.53804798 0.11032458 0.96349315 1\n C C3 1 0.79650216 0.15030203 0.48698041 1\n C C4 1 0.22406993 0.14929224 0.34275244 1\n C C5 1 0.11100730 0.11106134 0.10856824 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44952000\n_cell_length_b 4.24700000\n_cell_length_c 8.05339000\n_cell_angle_alpha 87.11516000\n_cell_angle_beta 83.89350000\n_cell_angle_gamma 90.00117000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 83.19814433\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62383978 0.52213376 0.28126703 1\n C C1 1 0.12416123 0.68914150 0.28023309 1\n C C2 1 1.02945587 0.86882752 0.93916894 1\n C C3 1 0.62471142 0.18924913 0.27896731 1\n C C4 1 0.12140308 0.21920870 0.67090459 1\n C C5 1 0.12493798 0.02225779 0.27833510 1\n C C6 1 0.14116507 0.90156802 0.61056105 1\n C C7 1 0.04887666 0.19723638 0.87746066 1\n C C8 1 0.63588048 0.74204911 0.61035974 1\n C C9 1 0.54921021 0.39240232 0.87804133 1\n C C10 1 0.53413360 0.70912085 0.93966914 1\n C C11 1 0.62046993 0.41365804 0.67153172 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45200000\n_cell_length_b 5.69897000\n_cell_length_c 3.40473000\n_cell_angle_alpha 67.00847000\n_cell_angle_beta 69.08449000\n_cell_angle_gamma 77.71468000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.76284553\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41119401 1.05390986 0.70004307 1\n C C1 1 0.01883166 0.92197180 0.61559089 1\n C C2 1 0.54220666 0.52111332 -0.03069947 1\n C C3 1 0.04249310 0.64579286 0.84256209 1\n C C4 1 0.17666741 0.11320185 0.10951150 1\n C C5 1 0.56813646 0.24433891 0.19532871 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48456000\n_cell_length_b 4.77195000\n_cell_length_c 5.57816000\n_cell_angle_alpha 90.78908000\n_cell_angle_beta 116.45767000\n_cell_angle_gamma 74.90975000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.76610971\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78574903 0.36818464 0.98406058 1\n C C1 1 0.45517727 0.45094545 0.69450541 1\n C C2 1 0.46394184 0.91120892 0.93287977 1\n C C3 1 0.78091340 0.62771938 0.60819179 1\n C C4 1 0.46049809 0.19196748 1.07084424 1\n C C5 1 0.77999942 0.90787448 0.74661260 1\n C C6 1 -0.26407473 0.23431864 0.36768513 1\n C C7 1 0.50360616 0.58613651 0.31103555 1\n C C8 1 0.43558197 0.18084234 0.54000463 1\n C C9 1 0.80402495 0.63966586 0.13847559 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.68173000\n_cell_length_b 3.64613000\n_cell_length_c 5.55832000\n_cell_angle_alpha 108.95419000\n_cell_angle_beta 60.10272000\n_cell_angle_gamma 89.52404000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.59070629\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15362948 1.05875487 0.31237831 1\n C C1 1 0.65567394 0.50080124 0.81079678 1\n C C2 1 0.84765963 0.09709232 0.61906147 1\n C C3 1 0.34578978 0.65512610 0.12067772 1\n C C4 1 0.84762315 0.71181273 0.61909571 1\n C C5 1 0.15390772 0.44384074 0.31215191 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68831000\n_cell_length_b 2.48184000\n_cell_length_c 4.21811000\n_cell_angle_alpha 90.00803000\n_cell_angle_beta 104.91615000\n_cell_angle_gamma 109.65628000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97652338\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88548261 0.57924794 0.75618284 1\n C C1 1 0.52807795 0.90030195 1.05373119 1\n C C2 1 0.97388667 0.12483019 0.26037057 1\n C C3 1 0.04180005 0.15723305 0.62513928 1\n C C4 1 0.48774667 0.37990878 0.83142309 1\n C C5 1 0.13126266 0.70358328 0.12996104 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44249000\n_cell_length_b 4.16975000\n_cell_length_c 8.83544000\n_cell_angle_alpha 94.05975000\n_cell_angle_beta 97.97318000\n_cell_angle_gamma 89.99947000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.88730819\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91276017 0.56626722 -0.03151171 1\n C C1 1 1.05826641 0.18986436 0.26612652 1\n C C2 1 0.04590899 0.87361001 0.23907984 1\n C C3 1 0.21048441 0.57789684 0.55810246 1\n C C4 1 0.29256379 0.55958781 0.72759182 1\n C C5 1 0.53426024 0.68059667 0.21443136 1\n C C6 1 0.70186038 0.08189127 0.53552067 1\n C C7 1 0.20549262 -0.07334929 0.54277737 1\n C C8 1 -0.16931834 0.55786097 0.80482360 1\n C C9 1 0.57875883 0.37367558 0.30565803 1\n C C10 1 0.67646863 0.41567463 0.48969923 1\n C C11 1 0.45157817 0.58063053 0.04577931 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43154000\n_cell_length_b 4.09609000\n_cell_length_c 7.33755000\n_cell_angle_alpha 94.37061000\n_cell_angle_beta 83.06519000\n_cell_angle_gamma 87.88955000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.25671771\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12880404 1.05064349 0.56482485 1\n C C1 1 0.99535996 0.58825575 0.82865650 1\n C C2 1 0.59631336 0.18629984 0.62990722 1\n C C3 1 0.39140627 -0.01305565 0.02987479 1\n C C4 1 0.32321301 0.25153934 0.16427484 1\n C C5 1 0.19359151 0.78396904 0.43170495 1\n C C6 1 -0.27437307 0.64908138 0.36605260 1\n C C7 1 0.92655117 0.85396674 0.96250156 1\n C C8 1 0.52967403 0.45350589 0.76283912 1\n C C9 1 0.78998404 0.38431097 0.23173097 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43082000\n_cell_length_b 6.73346000\n_cell_length_c 6.73863000\n_cell_angle_alpha 56.94765000\n_cell_angle_beta 68.98426000\n_cell_angle_gamma 79.77269000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.27532071\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36183991 0.54774443 0.42948304 1\n C C1 1 0.69469982 0.21437895 0.76315116 1\n C C2 1 0.53749930 0.88122337 0.59606092 1\n C C3 1 0.87101259 0.54792044 -0.07068560 1\n C C4 1 0.09217710 0.99307517 0.48554381 1\n C C5 1 0.75921554 0.32617293 0.15197943 1\n C C6 1 0.02791161 0.88111409 0.09652255 1\n C C7 1 0.24941027 0.32609699 0.65232786 1\n C C8 1 0.91576204 0.65965058 0.31933802 1\n C C9 1 0.58207336 0.99303749 0.98613377 1\n C C10 1 0.42550421 0.65978930 0.81893220 1\n C C11 1 0.20411515 0.21449685 0.26283163 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50960000\n_cell_length_b 3.94607000\n_cell_length_c 6.02494000\n_cell_angle_alpha 52.36110000\n_cell_angle_beta 90.03915000\n_cell_angle_gamma 79.91746000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.07273757\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62434065 0.23682965 0.04080603 1\n C C1 1 0.81301436 0.89661887 0.01200804 1\n C C2 1 0.89749171 0.95193048 0.75247288 1\n C C3 1 0.33201787 0.68221401 0.51008015 1\n C C4 1 0.44182598 0.70642215 0.75700554 1\n C C5 1 0.14995353 0.15162246 0.22640209 1\n C C6 1 0.87696476 0.43666397 0.51495821 1\n C C7 1 0.96241314 0.49180012 0.25558417 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48721000\n_cell_length_b 4.69610000\n_cell_length_c 4.06022000\n_cell_angle_alpha 73.98382000\n_cell_angle_beta 89.99527000\n_cell_angle_gamma 89.98323000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.58330288\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83415909 0.69176863 0.29854790 1\n C C1 1 0.83442916 0.53288878 0.03336464 1\n C C2 1 0.83402446 0.99987550 0.06655392 1\n C C3 1 0.33423228 0.23047328 0.49198890 1\n C C4 1 0.33436749 0.64768850 0.83215689 1\n C C5 1 0.33426212 0.57687236 0.49982652 1\n C C6 1 0.33410361 0.99492665 0.84043324 1\n C C7 1 -0.16569121 0.22527180 0.26740671 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48674000\n_cell_length_b 4.53139000\n_cell_length_c 6.31598000\n_cell_angle_alpha 92.68253000\n_cell_angle_beta 78.64356000\n_cell_angle_gamma 105.92309000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.09820258\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71521544 -0.17898325 0.23921915 1\n C C1 1 -0.12832949 0.89919055 0.00468240 1\n C C2 1 0.36291675 0.27325595 0.40015621 1\n C C3 1 0.64125297 0.17669723 0.73954762 1\n C C4 1 0.20256104 -0.08477113 0.36017582 1\n C C5 1 0.33091983 0.73953115 0.92665258 1\n C C6 1 0.48676046 0.81853256 0.69230766 1\n C C7 1 0.56003397 0.46392199 0.19209396 1\n C C8 1 0.12184241 0.44220399 0.04709492 1\n C C9 1 0.84435902 0.36712058 0.53060912 1\n C C10 1 1.07889855 0.19684734 0.88492764 1\n C C11 1 0.00156754 0.72548942 0.57130773 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48502000\n_cell_length_b 4.08850000\n_cell_length_c 4.67640000\n_cell_angle_alpha 83.30453000\n_cell_angle_beta 105.40491000\n_cell_angle_gamma 90.01460000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.46944182\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04608580 0.33019889 0.32772635 1\n C C1 1 0.01370137 0.97472096 0.44381474 1\n C C2 1 0.49616835 0.50070954 0.41307677 1\n C C3 1 0.44181226 0.85646904 0.29972595 1\n C C4 1 0.28355129 1.03571257 0.98504222 1\n C C5 1 0.78404728 0.26228340 -0.01339634 1\n C C6 1 0.16935886 0.79322752 0.75859319 1\n C C7 1 0.66786328 0.56842747 0.75581652 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.58475000\n_cell_length_b 3.31831000\n_cell_length_c 6.02872000\n_cell_angle_alpha 90.03892000\n_cell_angle_beta 99.91323000\n_cell_angle_gamma 83.10091000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.11661757\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49072503 0.45697485 0.85095526 1\n C C1 1 1.10931319 0.48678390 0.32291986 1\n C C2 1 0.59671540 0.99500064 0.29957432 1\n C C3 1 0.20471405 0.15467238 0.16352424 1\n C C4 1 0.81341815 0.68713010 0.95293030 1\n C C5 1 0.81709898 0.32746918 0.45742712 1\n C C6 1 0.00357101 0.11379415 0.68610957 1\n C C7 1 0.36855836 0.80461802 0.66553695 1\n C C8 1 0.14652903 0.36670007 -0.07826852 1\n C C9 1 -0.08746431 0.83807911 0.17960499 1\n C C10 1 0.67708434 1.02906198 0.78267862 1\n C C11 1 0.47188786 0.65565380 0.44648177 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48177000\n_cell_length_b 3.68771000\n_cell_length_c 4.89618000\n_cell_angle_alpha 113.01688000\n_cell_angle_beta 59.56412000\n_cell_angle_gamma 109.64097000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01710868\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38112069 0.71530006 0.76342667 1\n C C1 1 0.67238916 0.55905868 0.89447401 1\n C C2 1 0.39761124 0.16101607 0.97003182 1\n C C3 1 0.42188915 0.80306083 0.26775134 1\n C C4 1 0.69686520 0.20028126 0.19164626 1\n C C5 1 0.71258376 0.64566520 0.39841361 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43132000\n_cell_length_b 4.49927000\n_cell_length_c 4.06980000\n_cell_angle_alpha 83.14519000\n_cell_angle_beta 87.83889000\n_cell_angle_gamma 76.25297000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.93376521\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48709720 0.64536930 0.96065199 1\n C C1 1 0.81979966 0.98062468 0.29111809 1\n C C2 1 1.04219762 0.53457778 0.84762786 1\n C C3 1 -0.29095872 0.20089376 0.51496918 1\n C C4 1 1.15365203 0.31242290 0.62660445 1\n C C5 1 0.37512000 0.86934347 0.17913603 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43185000\n_cell_length_b 4.20334000\n_cell_length_c 6.10846000\n_cell_angle_alpha 111.57601000\n_cell_angle_beta 79.79229000\n_cell_angle_gamma 90.20332000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.01614361\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38882272 0.64524277 0.06534326 1\n C C1 1 0.73742079 1.07687422 0.56497477 1\n C C2 1 0.88885279 0.14520059 0.06527261 1\n C C3 1 0.38816548 0.31245372 0.06549071 1\n C C4 1 0.23738735 0.57691479 0.56504634 1\n C C5 1 0.88813204 0.81249428 0.06556227 1\n C C6 1 0.23673011 0.24412573 0.56519379 1\n C C7 1 0.73670004 0.74416792 0.56526444 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51081000\n_cell_length_b 4.92887000\n_cell_length_c 4.80042000\n_cell_angle_alpha 112.30238000\n_cell_angle_beta 90.04961000\n_cell_angle_gamma 120.51549000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.93300362\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20916995 0.31761552 0.28816537 1\n C C1 1 0.86999609 -0.02265741 0.60836925 1\n C C2 1 -0.04826420 0.55921040 0.77172689 1\n C C3 1 0.58492607 0.19242732 0.77143312 1\n C C4 1 1.24536469 0.85244210 0.09195659 1\n C C5 1 0.50308236 0.61066106 0.60808417 1\n C C6 1 0.61179762 0.21984617 0.09221764 1\n C C7 1 0.84365692 0.95032334 0.28793578 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45278000\n_cell_length_b 5.98374000\n_cell_length_c 4.54700000\n_cell_angle_alpha 137.39992000\n_cell_angle_beta 74.50265000\n_cell_angle_gamma 101.71910000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.52722515\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89418893 0.22392733 0.32418283 1\n C C1 1 0.36557891 1.03436568 0.19341111 1\n C C2 1 -0.05785898 0.53639131 0.54430710 1\n C C3 1 0.47046060 0.72597219 0.67551238 1\n C C4 1 0.63247335 0.85125967 0.47660251 1\n C C5 1 1.20330959 0.90887992 0.39250747 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39441000\n_cell_length_b 4.55195000\n_cell_length_c 4.55389000\n_cell_angle_alpha 100.03501000\n_cell_angle_beta 111.89616000\n_cell_angle_gamma 111.89159000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.42601976\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86924289 0.27189253 0.82477616 1\n C C1 1 0.62376996 0.49354850 0.39478554 1\n C C2 1 0.93425362 0.77182763 0.32459329 1\n C C3 1 0.83200970 1.05025199 0.25492699 1\n C C4 1 -0.02818462 0.34204754 0.54675707 1\n C C5 1 0.40195644 0.92046508 0.67649012 1\n C C6 1 0.48843943 0.60865582 0.66149756 1\n C C7 1 0.90188006 0.62356403 -0.02682205 1\n C C8 1 0.17981261 0.20183768 0.10310831 1\n C C9 1 0.31499842 0.93520921 0.98790120 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48790000\n_cell_length_b 3.51732000\n_cell_length_c 4.30513000\n_cell_angle_alpha 114.09148000\n_cell_angle_beta 73.20408000\n_cell_angle_gamma 90.00816000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62389717\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31383112 0.19072140 0.03191644 1\n C C1 1 0.14721398 0.60725970 0.36518756 1\n C C2 1 0.48054731 0.27392637 0.69852089 1\n C C3 1 0.64716446 0.85738806 0.36524977 1\n C C4 1 0.81388064 0.94059304 0.03185423 1\n C C5 1 0.98049779 0.52405473 0.69858311 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47204000\n_cell_length_b 3.24486000\n_cell_length_c 5.72313000\n_cell_angle_alpha 77.66667000\n_cell_angle_beta 64.48240000\n_cell_angle_gamma 67.25471000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.14656104\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68889234 0.36813726 0.46829021 1\n C C1 1 0.65832857 0.98399841 0.68931062 1\n C C2 1 0.00512963 0.98530692 0.84222378 1\n C C3 1 0.07545065 0.02900909 0.25007485 1\n C C4 1 0.72880664 0.02719589 0.09709444 1\n C C5 1 0.04642777 0.64535192 0.47095580 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.02983000\n_cell_length_b 4.20997000\n_cell_length_c 4.20988000\n_cell_angle_alpha 120.00132000\n_cell_angle_beta 102.49006000\n_cell_angle_gamma 102.62972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.87532563\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89298833 0.29388329 0.07902630 1\n C C1 1 0.88524636 0.29111283 0.74295789 1\n C C2 1 -0.11460934 0.95786415 0.07640923 1\n C C3 1 0.88539588 0.62452434 0.40969098 1\n C C4 1 -0.10694182 0.96058022 0.41242480 1\n C C5 1 0.89299809 0.62716848 0.74571621 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52291000\n_cell_length_b 6.44701000\n_cell_length_c 7.82733000\n_cell_angle_alpha 70.23780000\n_cell_angle_beta 79.99656000\n_cell_angle_gamma 79.41380000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 116.91574776\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29580531 0.20807269 0.80138096 1\n C C1 1 0.63195652 -0.00160118 0.77990373 1\n C C2 1 0.58875759 0.30566139 0.14512171 1\n C C3 1 0.24594995 0.94853598 0.17685014 1\n C C4 1 1.05692769 0.44756250 0.08213537 1\n C C5 1 0.71422277 0.08343449 0.10366973 1\n C C6 1 -0.04447476 0.22379802 0.44951481 1\n C C7 1 0.50430312 0.24062141 0.34668764 1\n C C8 1 0.80456466 0.63738352 0.37166181 1\n C C9 1 0.10044675 0.81373127 0.56052737 1\n C C10 1 1.15265598 0.61247879 0.70089378 1\n C C11 1 0.51560325 0.77200863 0.90101576 1\n C C12 1 0.39228083 0.75926954 0.09726931 1\n C C13 1 0.77707419 0.13857836 0.89902904 1\n C C14 1 0.08101879 0.63242513 0.88584517 1\n C C15 1 0.22970310 0.78156617 0.37736174 1\n C C16 1 0.27685441 0.41269199 0.64295178 1\n C C17 1 0.93030700 1.00835294 0.60207771 1\n C C18 1 0.83219207 0.42195365 0.52639565 1\n C C19 1 0.91330029 0.62862410 0.17666468 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35622000\n_cell_length_b 5.86275000\n_cell_length_c 4.22285000\n_cell_angle_alpha 121.54907000\n_cell_angle_beta 75.29728000\n_cell_angle_gamma 125.79517000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.27080682\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74021312 0.34953438 0.04018239 1\n C C1 1 0.83943384 0.57965087 0.40591080 1\n C C2 1 0.53357325 0.58588261 0.72380558 1\n C C3 1 0.29156046 0.87091806 0.53613809 1\n C C4 1 0.74188153 0.03207496 0.40818536 1\n C C5 1 0.28837747 0.05820547 -0.09001811 1\n C C6 1 0.04621020 0.34341360 0.72263053 1\n C C7 1 0.83816523 0.89724655 1.03807855 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45374000\n_cell_length_b 3.63161000\n_cell_length_c 10.29961000\n_cell_angle_alpha 88.17618000\n_cell_angle_beta 75.76038000\n_cell_angle_gamma 71.03439000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 84.01490666\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53245254 0.03540524 0.35332760 1\n C C1 1 1.03103128 1.19780032 0.77468451 1\n C C2 1 0.19097416 0.51432728 0.96110566 1\n C C3 1 0.73764259 0.92431085 0.20930678 1\n C C4 1 0.42356248 0.29678452 0.83561878 1\n C C5 1 0.23064020 1.08368178 0.62992643 1\n C C6 1 -0.12819423 0.24742303 0.40980386 1\n C C7 1 0.70608141 0.26487823 0.56838172 1\n C C8 1 0.34536841 -0.16605143 0.14738444 1\n C C9 1 0.57708396 0.62485216 1.02078616 1\n C C10 1 0.63241719 0.67665537 0.42794290 1\n C C11 1 0.49271300 0.69314793 0.56377786 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43276000\n_cell_length_b 4.03155000\n_cell_length_c 4.62399000\n_cell_angle_alpha 95.60869000\n_cell_angle_beta 74.87421000\n_cell_angle_gamma 90.37694000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.56191591\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70318985 0.16988669 -0.21305783 1\n C C1 1 0.81540040 0.38792892 0.56251270 1\n C C2 1 0.37039051 0.50080420 0.45179347 1\n C C3 1 0.48190909 0.72224899 0.22965109 1\n C C4 1 0.14796471 0.05771679 -0.10216484 1\n C C5 1 1.03720654 0.83418510 1.11862760 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51685000\n_cell_length_b 4.72711000\n_cell_length_c 6.61866000\n_cell_angle_alpha 112.24365000\n_cell_angle_beta 90.72035000\n_cell_angle_gamma 76.54265000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.63391925\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94669905 0.93912251 0.59134464 1\n C C1 1 0.60994889 0.48368585 0.30415244 1\n C C2 1 0.78378708 0.13524649 0.27979477 1\n C C3 1 0.19742466 0.20409203 -0.00784279 1\n C C4 1 1.09324894 -0.04327803 0.78900335 1\n C C5 1 0.05807061 0.60571961 0.44112100 1\n C C6 1 -0.37398544 0.41558395 0.06060632 1\n C C7 1 0.77104033 0.20592149 0.52356276 1\n C C8 1 0.54637943 0.67516599 0.97293131 1\n C C9 1 0.34054261 1.01282898 0.14382488 1\n C C10 1 0.08150876 0.66318744 0.83062035 1\n C C11 1 0.17094607 0.41558909 0.59778796 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.85387000\n_cell_length_b 3.69312000\n_cell_length_c 6.20083000\n_cell_angle_alpha 103.28491000\n_cell_angle_beta 123.47860000\n_cell_angle_gamma 112.71751000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.93594910\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54603664 0.43212023 1.10651148 1\n C C1 1 0.37547489 0.74947548 0.45228805 1\n C C2 1 0.04827382 0.45860903 0.10121502 1\n C C3 1 0.31383665 0.06853031 0.59057881 1\n C C4 1 0.64556047 0.32661851 0.94291476 1\n C C5 1 -0.12212238 0.69034775 0.45898046 1\n C C6 1 0.95570111 0.36320405 0.52740791 1\n C C7 1 0.81620859 0.00968980 0.59716040 1\n C C8 1 0.23646915 0.39583563 0.52205301 1\n C C9 1 0.14358978 0.30112702 0.94811040 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48888000\n_cell_length_b 3.60176000\n_cell_length_c 8.12321000\n_cell_angle_alpha 64.22126000\n_cell_angle_beta 72.16211000\n_cell_angle_gamma 69.77393000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.47152200\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68337534 0.00724838 0.86841809 1\n C C1 1 -0.12864557 0.79294070 0.28631607 1\n C C2 1 0.23883457 0.74551165 0.94316403 1\n C C3 1 0.67588396 0.27849927 0.23957446 1\n C C4 1 0.40487966 0.54167095 0.37798226 1\n C C5 1 0.14092596 0.52963806 0.14823825 1\n C C6 1 0.30830111 0.32513085 0.58296552 1\n C C7 1 1.05121288 0.60358846 0.70078011 1\n C C8 1 0.86577015 1.06318743 0.65728194 1\n C C9 1 0.49533035 0.46644025 0.82553847 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44146000\n_cell_length_b 8.14909000\n_cell_length_c 6.23651000\n_cell_angle_alpha 58.91313000\n_cell_angle_beta 101.26027000\n_cell_angle_gamma 90.04710000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 103.47317141\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15873965 0.65027076 0.41706661 1\n C C1 1 -0.22394473 1.22946790 0.65019818 1\n C C2 1 0.46030049 0.15550183 0.01936872 1\n C C3 1 0.55877553 0.20743709 0.22142799 1\n C C4 1 0.14199454 0.13420077 0.38908405 1\n C C5 1 0.88349916 0.25800745 0.86550791 1\n C C6 1 0.22019016 0.91360536 0.54891700 1\n C C7 1 1.04822270 0.85335439 0.18872787 1\n C C8 1 0.50944264 0.94968044 0.11363861 1\n C C9 1 0.74126734 0.81778971 0.58869832 1\n C C10 1 0.73974423 0.63097878 0.58090825 1\n C C11 1 0.23654015 0.19821699 0.57164908 1\n C C12 1 0.53085806 0.53972109 0.15504233 1\n C C13 1 0.07320802 0.56889952 0.24379527 1\n C C14 1 -0.12170284 0.45306161 0.85433898 1\n C C15 1 0.45969088 0.43325078 1.01717453 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42573000\n_cell_length_b 4.21988000\n_cell_length_c 5.99597000\n_cell_angle_alpha 44.72618000\n_cell_angle_beta 89.94968000\n_cell_angle_gamma 89.94640000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.19180298\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65186486 0.38806811 0.43207010 1\n C C1 1 1.15181000 -0.02007931 0.34439582 1\n C C2 1 0.65182587 0.57149249 0.84007409 1\n C C3 1 0.15184600 0.38843117 -0.00362484 1\n C C4 1 0.15172689 0.57162229 0.40443247 1\n C C5 1 0.65163087 0.97987535 0.49208366 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27784000\n_cell_length_b 3.27826000\n_cell_length_c 6.47879000\n_cell_angle_alpha 120.76530000\n_cell_angle_beta 85.18753000\n_cell_angle_gamma 98.84832000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.10808647\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67160826 0.77698015 0.17163920 1\n C C1 1 0.31128336 0.41568258 0.17141304 1\n C C2 1 0.82746974 1.14642042 0.41779355 1\n C C3 1 0.91437728 -0.07828848 0.56035359 1\n C C4 1 0.18763290 0.50723752 0.41777462 1\n C C5 1 0.09166103 0.30237264 0.79446035 1\n C C6 1 0.55337394 0.56131026 0.56024870 1\n C C7 1 0.40758983 0.61958473 0.79454991 1\n C C8 1 0.94535599 0.36082754 1.02859662 1\n C C9 1 0.58460357 0.00056415 0.02854983 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47077000\n_cell_length_b 4.77500000\n_cell_length_c 7.20706000\n_cell_angle_alpha 68.64376000\n_cell_angle_beta 99.83346000\n_cell_angle_gamma 58.82572000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.47621872\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59238483 0.31603041 0.37397682 1\n C C1 1 1.09381622 0.75545440 0.25397866 1\n C C2 1 0.75307608 0.81917231 0.70179855 1\n C C3 1 0.82789475 0.42491164 0.06092808 1\n C C4 1 0.38776825 -0.03852133 0.25495378 1\n C C5 1 0.55038481 0.57537774 0.80813675 1\n C C6 1 0.37382118 0.07064708 0.44549094 1\n C C7 1 0.24127039 0.54487975 0.12800489 1\n C C8 1 0.84358286 0.26226156 0.76868192 1\n C C9 1 0.47530384 0.12268345 0.75335320 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48630000\n_cell_length_b 4.30596000\n_cell_length_c 5.56126000\n_cell_angle_alpha 49.78137000\n_cell_angle_beta 47.85232000\n_cell_angle_gamma 54.73625000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59752844\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26889502 0.18121307 0.41847609 1\n C C1 1 0.18538475 0.76451783 0.75186194 1\n C C2 1 0.93527780 0.51455367 0.75178221 1\n C C3 1 0.51897556 0.43120362 0.41852714 1\n C C4 1 -0.14823247 0.09785843 1.08516805 1\n C C5 1 0.60168699 0.84786788 1.08511701 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31499000\n_cell_length_b 4.21024000\n_cell_length_c 5.08255000\n_cell_angle_alpha 120.62361000\n_cell_angle_beta 84.13572000\n_cell_angle_gamma 104.21369000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.15223430\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57145272 0.14291292 0.08836201 1\n C C1 1 0.12266669 0.46125454 0.85038324 1\n C C2 1 0.88415647 0.46153220 0.09451646 1\n C C3 1 0.40820836 0.27429205 0.37872283 1\n C C4 1 0.11652519 0.14596664 0.53945853 1\n C C5 1 0.43542246 0.77865269 0.85552480 1\n C C6 1 0.88778010 0.77574978 0.40401553 1\n C C7 1 0.59492391 0.64806559 0.56431371 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42456000\n_cell_length_b 4.84885000\n_cell_length_c 4.20709000\n_cell_angle_alpha 91.50843000\n_cell_angle_beta 89.96053000\n_cell_angle_gamma 119.99571000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.81611936\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43522846 0.55968980 0.53063731 1\n C C1 1 0.90279275 0.52774389 0.68514265 1\n C C2 1 0.84469516 0.46893433 1.03208260 1\n C C3 1 0.49525455 0.61976094 0.18388180 1\n C C4 1 0.49760706 0.12141539 0.09120886 1\n C C5 1 0.84313652 0.96737935 0.12465747 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31804000\n_cell_length_b 4.83645000\n_cell_length_c 3.51650000\n_cell_angle_alpha 68.66072000\n_cell_angle_beta 89.98233000\n_cell_angle_gamma 46.65357000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53739807\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37736625 0.41235790 0.42714333 1\n C C1 1 1.00793078 -0.05127431 0.65907411 1\n C C2 1 0.04429156 0.41217818 0.12301669 1\n C C3 1 0.34169154 -0.05137094 0.35479292 1\n C C4 1 -0.02083975 0.64433756 0.65886541 1\n C C5 1 0.40657011 0.71635602 0.12326474 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48243000\n_cell_length_b 3.84297000\n_cell_length_c 4.49012000\n_cell_angle_alpha 90.01718000\n_cell_angle_beta 123.57066000\n_cell_angle_gamma 90.01423000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.69057074\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63011944 0.19879439 0.82202011 1\n C C1 1 0.35902130 0.19852893 1.05070502 1\n C C2 1 0.62595035 0.90394236 0.31792247 1\n C C3 1 0.36319039 0.49338097 0.55480266 1\n C C4 1 0.62642820 0.49307945 0.31826364 1\n C C5 1 0.36271255 0.90424387 0.55446150 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45291000\n_cell_length_b 3.33279000\n_cell_length_c 10.01296000\n_cell_angle_alpha 113.07386000\n_cell_angle_beta 90.40345000\n_cell_angle_gamma 111.13084000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.18681855\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47388737 0.54615182 0.55613160 1\n C C1 1 1.06315840 0.72385587 0.62621097 1\n C C2 1 0.23067502 1.05474655 0.78091984 1\n C C3 1 0.29484103 0.18062868 0.41079217 1\n C C4 1 -0.06294737 0.45517671 0.12622804 1\n C C5 1 0.70405455 -0.00247168 0.34139066 1\n C C6 1 0.77031266 0.12602660 -0.02875408 1\n C C7 1 0.87137421 0.33506939 0.85232015 1\n C C8 1 0.52562475 0.63155845 0.19624435 1\n C C9 1 0.12993758 0.84634771 0.89997309 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.67233000\n_cell_length_b 4.37915000\n_cell_length_c 5.66855000\n_cell_angle_alpha 87.95895000\n_cell_angle_beta 121.89439000\n_cell_angle_gamma 124.22511000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.21524108\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67098119 0.36216581 0.97757522 1\n C C1 1 0.60937759 0.80256073 0.47730008 1\n C C2 1 0.01430393 0.39857988 0.28625111 1\n C C3 1 1.07578291 0.95809620 0.78661583 1\n C C4 1 0.63259550 0.01609294 0.28609106 1\n C C5 1 0.05280938 0.74470414 -0.02216360 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48755000\n_cell_length_b 4.30475000\n_cell_length_c 4.30709000\n_cell_angle_alpha 60.00064000\n_cell_angle_beta 73.17051000\n_cell_angle_gamma 106.75360000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60103139\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40477285 0.32920211 0.30818345 1\n C C1 1 0.65494306 0.41261702 -0.10853904 1\n C C2 1 -0.34539330 0.74595735 0.22480643 1\n C C3 1 0.40493612 0.66252610 0.64152097 1\n C C4 1 0.65476997 0.07928133 0.55814395 1\n C C5 1 0.40459976 0.99586642 0.97486644 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.45009000\n_cell_length_b 4.70202000\n_cell_length_c 6.11785000\n_cell_angle_alpha 85.78353000\n_cell_angle_beta 75.77287000\n_cell_angle_gamma 71.76818000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 117.85605157\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29458303 0.73307320 0.19103883 1\n C C1 1 0.53662480 0.17413531 1.07344766 1\n C C2 1 0.27724775 0.32782399 0.70840474 1\n C C3 1 0.84822332 0.78138646 0.91980851 1\n C C4 1 0.31324340 0.81806876 0.69005417 1\n C C5 1 0.75381220 0.45016040 0.46335685 1\n C C6 1 0.53725432 0.85274656 1.07252820 1\n C C7 1 0.13742355 0.61824416 0.77899046 1\n C C8 1 1.04913265 -0.02271826 0.31707431 1\n C C9 1 0.13835194 1.10567136 0.78004553 1\n C C10 1 0.61931907 0.74227098 0.53801948 1\n C C11 1 0.75197612 -0.02883383 0.46430062 1\n C C12 1 0.84687471 0.08905145 -0.08205380 1\n C C13 1 0.04616005 0.29595274 0.31438104 1\n C C14 1 0.29521882 0.41485716 0.19038235 1\n C C15 1 0.57962339 0.25351725 0.55526114 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35077000\n_cell_length_b 4.68985000\n_cell_length_c 7.16466000\n_cell_angle_alpha 81.32162000\n_cell_angle_beta 98.04659000\n_cell_angle_gamma 111.92544000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 102.82014564\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43048941 -0.04938037 0.89224215 1\n C C1 1 1.17979846 0.51193085 0.56252629 1\n C C2 1 0.78073429 0.54730138 0.39806536 1\n C C3 1 0.25498357 0.40928700 0.95252401 1\n C C4 1 0.22938018 0.95498974 0.18710198 1\n C C5 1 0.02215504 0.15140371 0.26049755 1\n C C6 1 0.27059987 0.20184135 0.58536914 1\n C C7 1 0.85662465 -0.04703369 0.64757024 1\n C C8 1 0.59737422 0.75482864 0.49186555 1\n C C9 1 0.63147973 0.70651248 -0.03024768 1\n C C10 1 0.45200661 0.16521895 0.02379699 1\n C C11 1 0.58582308 0.00397426 0.34353093 1\n C C12 1 0.42360029 0.23887231 0.39983288 1\n C C13 1 0.95806500 0.75673540 0.81843429 1\n C C14 1 -0.06765623 0.36051938 0.10070222 1\n C C15 1 1.00417128 0.46243087 0.76165884 1\n C C16 1 0.89633756 0.64764876 0.16746165 1\n C C17 1 0.63226079 0.15194570 0.72349863 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48252000\n_cell_length_b 3.84722000\n_cell_length_c 4.48836000\n_cell_angle_alpha 90.00224000\n_cell_angle_beta 123.59493000\n_cell_angle_gamma 89.98529000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.70729168\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45794784 0.38065210 0.65425023 1\n C C1 1 0.46156673 0.67582043 0.15810248 1\n C C2 1 0.46192949 0.08568593 0.15817904 1\n C C3 1 0.72469988 0.67588637 0.92131220 1\n C C4 1 0.72897615 0.38060254 0.42527474 1\n C C5 1 0.72511352 0.08576433 0.92142752 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47527000\n_cell_length_b 4.24909000\n_cell_length_c 3.72214000\n_cell_angle_alpha 115.96047000\n_cell_angle_beta 90.05461000\n_cell_angle_gamma 89.97931000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.19793733\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42634109 0.14220634 0.50629124 1\n C C1 1 0.42631365 0.42015427 -0.05931599 1\n C C2 1 0.92641537 0.92101173 0.39571473 1\n C C3 1 0.92616424 0.64310455 -0.03921375 1\n C C4 1 0.92640660 0.64276593 0.55196716 1\n C C5 1 0.42633034 0.42007858 0.34937401 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49114000\n_cell_length_b 3.59213000\n_cell_length_c 5.91843000\n_cell_angle_alpha 47.11099000\n_cell_angle_beta 65.05757000\n_cell_angle_gamma 69.66486000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.03784481\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81418994 0.68341795 0.35823290 1\n C C1 1 0.89636585 0.10708790 0.56428481 1\n C C2 1 0.52710011 0.84794963 0.56397649 1\n C C3 1 0.34025753 0.47167906 -0.06035918 1\n C C4 1 0.42144308 0.89530910 0.14593124 1\n C C5 1 0.70989579 0.73094237 0.94006953 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42988000\n_cell_length_b 4.15774000\n_cell_length_c 6.28871000\n_cell_angle_alpha 71.92073000\n_cell_angle_beta 83.79886000\n_cell_angle_gamma 102.05701000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.03471102\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60770552 0.62292755 -0.00371423 1\n C C1 1 0.44075787 0.28966998 0.16322803 1\n C C2 1 0.69078299 0.78966234 0.41327945 1\n C C3 1 0.19079224 0.78964834 -0.08683416 1\n C C4 1 -0.05923611 0.28965273 0.66323758 1\n C C5 1 0.85766487 0.12291674 0.24633888 1\n C C6 1 0.35769356 1.12291877 0.74629069 1\n C C7 1 0.10769937 0.62290466 0.49635145 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43216000\n_cell_length_b 4.56786000\n_cell_length_c 4.06541000\n_cell_angle_alpha 95.95293000\n_cell_angle_beta 89.99188000\n_cell_angle_gamma 105.59994000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.24923549\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22919778 0.36010164 0.65654687 1\n C C1 1 1.00828913 0.91366017 0.09906481 1\n C C2 1 0.67548218 0.24974547 0.76905459 1\n C C3 1 0.89501614 0.69158574 0.32094610 1\n C C4 1 0.34126962 0.58162001 0.43376202 1\n C C5 1 0.56185964 1.02391868 0.98595870 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.55430000\n_cell_length_b 4.24312000\n_cell_length_c 4.53857000\n_cell_angle_alpha 81.56267000\n_cell_angle_beta 75.35825000\n_cell_angle_gamma 59.39310000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.01776852\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.14061050 0.50495073 0.35778458 1\n C C1 1 0.67170463 0.39784329 0.25653519 1\n C C2 1 0.10097439 -0.04369881 0.81385269 1\n C C3 1 0.77505735 0.15910681 1.01088401 1\n C C4 1 0.06573100 0.75697760 0.61308298 1\n C C5 1 0.75668315 0.74322399 0.60363336 1\n C C6 1 0.20512157 0.37459434 0.23080020 1\n C C7 1 0.32592044 0.52848342 0.38301564 1\n C C8 1 0.43082459 0.94617123 0.80031008 1\n C C9 1 0.46553258 0.14669290 1.00008557 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43262000\n_cell_length_b 4.23552000\n_cell_length_c 5.20101000\n_cell_angle_alpha 79.44683000\n_cell_angle_beta 74.74086000\n_cell_angle_gamma 57.25233000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.42698699\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41958225 0.64012753 0.30692403 1\n C C1 1 0.08615252 0.19733282 0.86196632 1\n C C2 1 0.08614660 0.86370520 0.52909095 1\n C C3 1 0.41956491 0.30814360 -0.02665042 1\n C C4 1 0.41956042 -0.02533175 0.63995531 1\n C C5 1 0.08592210 0.52963571 0.19565070 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47684000\n_cell_length_b 4.25777000\n_cell_length_c 5.94505000\n_cell_angle_alpha 68.98996000\n_cell_angle_beta 77.98899000\n_cell_angle_gamma 89.98915000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.05549523\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37369535 0.31050870 0.00026413 1\n C C1 1 0.24038424 0.31110237 0.26647902 1\n C C2 1 0.74516975 0.83227402 0.25667623 1\n C C3 1 0.54287012 0.95485654 0.66318323 1\n C C4 1 0.87376495 0.09520789 0.00044880 1\n C C5 1 1.06143229 0.47640830 0.62243918 1\n C C6 1 0.68587686 1.09865331 0.37816709 1\n C C7 1 0.50668685 0.57689066 0.73409167 1\n C C8 1 0.00222837 0.08835610 0.74423194 1\n C C9 1 0.20473891 0.61769671 0.33770952 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42540000\n_cell_length_b 4.21518000\n_cell_length_c 4.21623000\n_cell_angle_alpha 90.09292000\n_cell_angle_beta 89.99932000\n_cell_angle_gamma 89.98746000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.10455945\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33727942 0.52350006 0.59144324 1\n C C1 1 0.33719998 0.17570271 0.53058098 1\n C C2 1 0.33714779 1.11462463 0.18287357 1\n C C3 1 0.83722442 0.02728328 0.67908773 1\n C C4 1 -0.16277260 0.67956815 0.61853930 1\n C C5 1 0.83714889 0.08785346 1.02678509 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48737000\n_cell_length_b 2.48738000\n_cell_length_c 6.57454000\n_cell_angle_alpha 79.13364000\n_cell_angle_beta 112.18927000\n_cell_angle_gamma 119.99355000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62046890\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43081100 0.40012221 0.21822007 1\n C C1 1 0.84714741 1.06678152 0.30123938 1\n C C2 1 1.18081444 0.40016942 0.96827827 1\n C C3 1 0.09736645 1.06682135 0.55145015 1\n C C4 1 0.76447803 0.73351012 0.88525896 1\n C C5 1 0.51425898 -0.26652972 0.63504819 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42897000\n_cell_length_b 3.02185000\n_cell_length_c 6.04098000\n_cell_angle_alpha 96.94974000\n_cell_angle_beta 77.49486000\n_cell_angle_gamma 91.73411000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.97034372\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44942943 0.32346672 0.39510567 1\n C C1 1 0.55949412 0.09925884 0.17416909 1\n C C2 1 0.22613536 0.76569718 0.84089211 1\n C C3 1 0.11610735 -0.00994314 1.06175872 1\n C C4 1 0.78273296 0.65652559 0.72849310 1\n C C5 1 0.89280647 0.43250252 0.50754791 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03531000\n_cell_length_b 2.42999000\n_cell_length_c 6.40573000\n_cell_angle_alpha 79.31132000\n_cell_angle_beta 83.98713000\n_cell_angle_gamma 111.41957000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.44549431\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.16297006 0.41795849 0.31215325 1\n C C1 1 0.83501866 0.64041530 0.86745501 1\n C C2 1 0.83694270 0.08464533 0.97895047 1\n C C3 1 0.83802663 0.75173223 0.64502178 1\n C C4 1 0.83458075 0.30632936 0.53447370 1\n C C5 1 0.83373771 0.97284020 0.20137658 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46379000\n_cell_length_b 5.07805000\n_cell_length_c 7.09784000\n_cell_angle_alpha 104.49760000\n_cell_angle_beta 100.01132000\n_cell_angle_gamma 89.92735000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 84.58290630\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44701265 0.64890500 0.77466154 1\n C C1 1 0.01322562 0.16498413 0.91021188 1\n C C2 1 0.83859036 0.23591247 0.55766594 1\n C C3 1 0.72557597 0.59442093 0.34094441 1\n C C4 1 0.06764592 0.46321110 1.02389131 1\n C C5 1 0.28497631 0.62086906 0.45773239 1\n C C6 1 0.06767526 0.96903517 0.02309356 1\n C C7 1 0.90026971 1.03773714 0.68938575 1\n C C8 1 1.01027375 0.67644407 0.90200547 1\n C C9 1 0.72835419 0.09546316 0.33946013 1\n C C10 1 0.35576496 0.41261911 0.59156715 1\n C C11 1 1.17905479 0.05129628 0.24009623 1\n C C12 1 0.62837143 0.51256797 0.14555224 1\n C C13 1 0.38091249 0.85762992 0.64965759 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44761000\n_cell_length_b 5.68958000\n_cell_length_c 7.20499000\n_cell_angle_alpha 88.67859000\n_cell_angle_beta 82.95513000\n_cell_angle_gamma 89.91427000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 99.55170945\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55769576 0.82885019 0.04508483 1\n C C1 1 0.03828772 0.81776482 0.13997352 1\n C C2 1 0.45001536 0.34504821 0.85477489 1\n C C3 1 0.63964699 0.22151613 0.34436711 1\n C C4 1 1.04553649 0.82199998 0.35646218 1\n C C5 1 0.10206758 0.08263841 0.40993559 1\n C C6 1 0.54941082 0.85131698 0.82835629 1\n C C7 1 0.99141533 0.47214707 0.78021498 1\n C C8 1 0.52211287 0.70638983 0.43208788 1\n C C9 1 0.04592085 0.13388828 0.61801501 1\n C C10 1 0.07003568 0.72890975 0.76622709 1\n C C11 1 0.51367553 0.09971835 0.73809146 1\n C C12 1 1.03599562 0.39302272 0.58553079 1\n C C13 1 0.77342238 0.28449274 0.14730699 1\n C C14 1 0.31669986 0.31340655 0.05679339 1\n C C15 1 0.56535025 0.45206400 0.47609781 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32040000\n_cell_length_b 3.91593000\n_cell_length_c 3.78618000\n_cell_angle_alpha 88.13406000\n_cell_angle_beta 96.00659000\n_cell_angle_gamma 74.19566000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.01255686\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28275846 0.24326289 0.58627739 1\n C C1 1 1.08392955 0.08711900 0.88947996 1\n C C2 1 1.03169965 0.73574128 0.94493075 1\n C C3 1 0.89819427 0.57608905 0.59801212 1\n C C4 1 0.38093981 0.13690926 0.22416796 1\n C C5 1 0.46171445 0.49699016 1.07841495 1\n C C6 1 0.71137472 0.75499333 0.23326001 1\n C C7 1 0.65752609 0.35226913 0.76927726 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.77731000\n_cell_length_b 4.18241000\n_cell_length_c 4.34815000\n_cell_angle_alpha 60.19542000\n_cell_angle_beta 88.48135000\n_cell_angle_gamma 94.48670000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.25420803\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.18593829 0.47258179 0.92716721 1\n C C1 1 -0.04713739 0.23994497 0.54423435 1\n C C2 1 0.18608784 0.47262480 0.25482448 1\n C C3 1 0.70526246 -0.00102345 0.49073871 1\n C C4 1 0.47255618 0.76707392 0.77997128 1\n C C5 1 0.70591653 0.99799626 0.16517107 1\n C C6 1 0.47276712 -0.23309116 1.10762008 1\n C C7 1 -0.04777492 0.24104177 0.86979603 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43678000\n_cell_length_b 2.55497000\n_cell_length_c 7.21708000\n_cell_angle_alpha 118.33993000\n_cell_angle_beta 89.66063000\n_cell_angle_gamma 89.87976000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.54616326\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24858440 -0.04096714 0.36325405 1\n C C1 1 0.75931190 0.43179530 0.03465787 1\n C C2 1 0.74586437 0.13142937 0.47056185 1\n C C3 1 0.75719531 1.10060240 0.80449843 1\n C C4 1 0.74947421 0.46236584 0.70081217 1\n C C5 1 0.25686329 0.60383873 0.14230502 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48808000\n_cell_length_b 3.51455000\n_cell_length_c 4.30376000\n_cell_angle_alpha 65.90800000\n_cell_angle_beta 106.79417000\n_cell_angle_gamma 90.00364000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59000513\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05942758 -0.01307918 0.66764069 1\n C C1 1 0.22597458 0.07085727 0.00073468 1\n C C2 1 0.72609425 0.32025416 1.00097402 1\n C C3 1 0.39276092 0.65358749 0.33430736 1\n C C4 1 0.55930791 0.73752394 0.66740135 1\n C C5 1 -0.10735875 0.40419060 0.33406801 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51340000\n_cell_length_b 4.49821000\n_cell_length_c 6.85903000\n_cell_angle_alpha 98.79513000\n_cell_angle_beta 100.68326000\n_cell_angle_gamma 106.17206000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.44799374\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13318812 0.72093321 0.52703335 1\n C C1 1 1.10937909 0.85435391 0.34882211 1\n C C2 1 0.45525643 0.85212189 0.04757636 1\n C C3 1 0.27272009 0.34836540 0.18274904 1\n C C4 1 0.30994179 0.88238745 0.72054698 1\n C C5 1 0.47917054 0.71936277 0.22627451 1\n C C6 1 0.52480687 0.21288046 0.82172102 1\n C C7 1 -0.05096570 0.36741480 0.51469763 1\n C C8 1 1.06457698 0.36048339 0.75393095 1\n C C9 1 0.64010704 0.20533130 0.06104784 1\n C C10 1 0.31668742 0.22527934 0.39310482 1\n C C11 1 0.27986535 0.69106199 0.85390550 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43225000\n_cell_length_b 4.06838000\n_cell_length_c 4.49885000\n_cell_angle_alpha 83.23012000\n_cell_angle_beta 79.71357000\n_cell_angle_gamma 84.29083000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.35627291\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04982109 0.89121938 0.95247618 1\n C C1 1 0.17258165 0.44815587 0.50644590 1\n C C2 1 0.83909139 1.11467058 0.17337796 1\n C C3 1 0.28390673 0.22696154 0.28393314 1\n C C4 1 0.50547970 0.77922834 0.84158890 1\n C C5 1 0.61719853 0.56142949 0.61664752 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42608000\n_cell_length_b 5.89139000\n_cell_length_c 6.06465000\n_cell_angle_alpha 89.99780000\n_cell_angle_beta 90.02318000\n_cell_angle_gamma 90.01574000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.68193166\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87243590 0.28808365 0.52922086 1\n C C1 1 0.37245327 0.28490092 0.96324897 1\n C C2 1 0.37236396 0.69409498 -0.03381903 1\n C C3 1 0.37247240 -0.00853545 0.32051190 1\n C C4 1 -0.12757937 -0.00969849 0.17547419 1\n C C5 1 0.37234032 0.19733196 0.46310438 1\n C C6 1 0.87237191 0.69683424 0.53196748 1\n C C7 1 0.37241517 0.78770471 0.46596524 1\n C C8 1 0.87240015 0.49142864 0.67552388 1\n C C9 1 0.37244449 0.49033126 0.82056410 1\n C C10 1 -0.12752915 0.78523075 0.03198752 1\n C C11 1 -0.12757815 0.19375993 1.02905942 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52529000\n_cell_length_b 4.75566000\n_cell_length_c 4.88189000\n_cell_angle_alpha 66.71953000\n_cell_angle_beta 63.16502000\n_cell_angle_gamma 67.51205000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.54230922\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.09163298 0.86528913 0.85195338 1\n C C1 1 0.52254728 0.32436478 0.46604551 1\n C C2 1 -0.20190809 0.33899771 0.09794875 1\n C C3 1 0.81128017 0.48036841 0.55873988 1\n C C4 1 0.84325713 0.81127711 0.40737351 1\n C C5 1 0.35380901 0.49990253 0.91821398 1\n C C6 1 0.89515348 0.99522061 0.11950398 1\n C C7 1 0.66907994 -0.02480998 0.64495841 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49012000\n_cell_length_b 3.84638000\n_cell_length_c 8.57015000\n_cell_angle_alpha 116.52375000\n_cell_angle_beta 90.00533000\n_cell_angle_gamma 89.99517000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.44500528\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65694432 0.26837299 0.49340644 1\n C C1 1 0.15733002 0.80817923 0.73927647 1\n C C2 1 0.65699955 0.85785945 0.49347340 1\n C C3 1 0.15698318 0.38239258 0.60868709 1\n C C4 1 0.65731744 0.91555848 0.84587077 1\n C C5 1 0.65683090 0.43239201 0.36241752 1\n C C6 1 0.15726377 0.87966122 0.10884002 1\n C C7 1 0.15709296 0.47648610 1.10841128 1\n C C8 1 0.65713695 0.27595706 1.01316755 1\n C C9 1 0.15705801 -0.02674432 0.60867343 1\n C C10 1 0.15693364 0.32205622 0.25215940 1\n C C11 1 0.65729957 0.89051318 0.01361472 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43309000\n_cell_length_b 3.00452000\n_cell_length_c 6.40183000\n_cell_angle_alpha 92.41741000\n_cell_angle_beta 100.72810000\n_cell_angle_gamma 107.96285000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.49083653\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10466255 0.21667975 0.32828264 1\n C C1 1 0.21414634 1.21679280 0.55018737 1\n C C2 1 0.88098271 0.21632851 0.88389281 1\n C C3 1 0.77121184 0.21584765 0.66196740 1\n C C4 1 0.54746521 0.21697844 0.21675647 1\n C C5 1 0.43759015 0.21545255 0.99483262 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47813000\n_cell_length_b 4.28893000\n_cell_length_c 7.21882000\n_cell_angle_alpha 60.30871000\n_cell_angle_beta 99.90416000\n_cell_angle_gamma 90.03032000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.33642140\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52480251 0.96405909 0.45202994 1\n C C1 1 -0.10206162 0.67330315 0.20103043 1\n C C2 1 1.06535704 0.72781787 0.53532080 1\n C C3 1 0.23057678 0.78523807 0.86607617 1\n C C4 1 0.73069313 0.28524930 0.86605985 1\n C C5 1 0.35675562 0.57645163 1.11711081 1\n C C6 1 0.19012884 0.52132042 0.78272506 1\n C C7 1 0.85680056 0.07646621 0.11709185 1\n C C8 1 0.68996052 1.02131371 0.78272602 1\n C C9 1 0.39798579 0.17329150 0.20103022 1\n C C10 1 1.02464962 0.46407400 0.45202026 1\n C C11 1 0.56518039 0.22782567 0.53531239 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48762000\n_cell_length_b 4.29071000\n_cell_length_c 6.95290000\n_cell_angle_alpha 110.45419000\n_cell_angle_beta 100.27043000\n_cell_angle_gamma 89.98833000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.26434970\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73703334 0.49449030 0.13042108 1\n C C1 1 0.25487800 0.03230902 0.16498555 1\n C C2 1 0.36288628 0.97851193 0.37512296 1\n C C3 1 1.02751479 0.33901883 0.70478570 1\n C C4 1 0.25461918 0.68272821 0.16432416 1\n C C5 1 0.02714410 -0.01084865 0.70378704 1\n C C6 1 -0.26412991 0.18106203 0.12865762 1\n C C7 1 0.54329495 0.52665160 0.73750634 1\n C C8 1 0.92212135 1.04321108 0.49369604 1\n C C9 1 0.54423662 0.84022935 0.73943981 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49078000\n_cell_length_b 4.35476000\n_cell_length_c 3.58945000\n_cell_angle_alpha 84.33653000\n_cell_angle_beta 110.27821000\n_cell_angle_gamma 106.59143000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00024091\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89218841 0.16381141 0.56664378 1\n C C1 1 0.28713458 -0.04834873 0.56704005 1\n C C2 1 0.18105636 0.36999941 -0.06363510 1\n C C3 1 0.36939191 0.74573442 0.93664318 1\n C C4 1 0.99899362 0.74564305 0.19618489 1\n C C5 1 0.80981472 0.36958843 0.19579511 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44649000\n_cell_length_b 6.22902000\n_cell_length_c 5.79605000\n_cell_angle_alpha 117.67842000\n_cell_angle_beta 98.18047000\n_cell_angle_gamma 86.26480000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.42399820\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60737831 0.85521499 0.42922251 1\n C C1 1 0.11101920 0.75373497 0.44214346 1\n C C2 1 0.11050809 0.85548670 -0.00776026 1\n C C3 1 0.62691844 0.52734449 0.62453140 1\n C C4 1 1.08252306 0.52776004 0.47026413 1\n C C5 1 0.41562949 0.30690675 0.05202096 1\n C C6 1 0.28801120 0.30506484 0.81999968 1\n C C7 1 0.72436113 0.30448748 0.67554135 1\n C C8 1 1.08237648 0.08187612 0.24606417 1\n C C9 1 -0.02063483 0.30621390 0.19588950 1\n C C10 1 0.62683517 0.08164462 0.40107188 1\n C C11 1 0.60785465 0.75312650 0.87862772 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33304000\n_cell_length_b 5.79659000\n_cell_length_c 4.66346000\n_cell_angle_alpha 100.83258000\n_cell_angle_beta 69.05748000\n_cell_angle_gamma 125.09949000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.82727810\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76977799 1.11926326 0.81001150 1\n C C1 1 -0.09797828 0.00340563 1.01545264 1\n C C2 1 0.08679018 0.47852362 0.20094108 1\n C C3 1 0.23068180 0.26516736 0.17941051 1\n C C4 1 0.70584238 0.46342997 0.50120482 1\n C C5 1 0.17019518 0.92096174 0.48692046 1\n C C6 1 0.05671371 0.59976971 0.73462426 1\n C C7 1 0.61623817 0.69218355 0.49389812 1\n C C8 1 0.21451872 0.19239876 0.49422322 1\n C C9 1 0.48189751 0.78444312 0.25397254 1\n C C10 1 0.22127822 0.90595559 0.78719963 1\n C C11 1 0.79968831 0.38081098 0.97378391 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25368000\n_cell_length_b 4.19337000\n_cell_length_c 6.07775000\n_cell_angle_alpha 70.94270000\n_cell_angle_beta 79.11217000\n_cell_angle_gamma 71.47225000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.98078445\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43531969 0.81627345 0.49919382 1\n C C1 1 0.26560526 0.37198374 0.34126651 1\n C C2 1 0.67986690 0.14777176 0.67287265 1\n C C3 1 0.69167709 0.06156431 0.31975448 1\n C C4 1 0.34000441 0.46789818 0.54886020 1\n C C5 1 0.58543509 0.79966011 0.72147867 1\n C C6 1 0.00836272 0.10183695 0.45862236 1\n C C7 1 0.87535415 -0.03016161 0.10175412 1\n C C8 1 0.32977348 0.55432038 0.90126988 1\n C C9 1 0.14540531 0.64565269 0.11947765 1\n C C10 1 0.01292842 0.51411977 0.76193871 1\n C C11 1 0.75565359 0.24344007 0.88040226 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.45895000\n_cell_length_b 4.57058000\n_cell_length_c 5.48838000\n_cell_angle_alpha 64.89511000\n_cell_angle_beta 67.31867000\n_cell_angle_gamma 83.49244000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.28421409\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93093007 0.37038686 0.07957754 1\n C C1 1 0.14261168 0.62581019 0.03087784 1\n C C2 1 1.15232620 0.13684332 1.00141633 1\n C C3 1 0.86395833 0.12195928 0.38738810 1\n C C4 1 0.24166184 0.49234709 0.48573496 1\n C C5 1 0.92112289 0.85959015 0.10908276 1\n C C6 1 0.36235757 0.44919257 0.17661597 1\n C C7 1 -0.29317622 0.18717845 0.65082837 1\n C C8 1 0.83114392 0.50398389 0.62484705 1\n C C9 1 0.71070827 0.54669664 0.93423129 1\n C C10 1 0.72749354 0.80870904 0.41010217 1\n C C11 1 0.36605257 0.80922935 0.45979828 1\n C C12 1 0.20906757 0.87423921 0.72333358 1\n C C13 1 0.82663430 -0.10403580 0.85447478 1\n C C14 1 0.34592527 0.18785076 0.70035166 1\n C C15 1 0.24600652 0.10029360 0.25641544 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50252000\n_cell_length_b 4.14741000\n_cell_length_c 4.82710000\n_cell_angle_alpha 90.00113000\n_cell_angle_beta 90.03799000\n_cell_angle_gamma 89.97226000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.10034044\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06556737 0.06141350 0.97333470 1\n C C1 1 0.56542909 0.26978118 0.97334412 1\n C C2 1 0.56507521 0.26982538 0.64531921 1\n C C3 1 0.56527616 0.56144756 0.47335531 1\n C C4 1 0.56539928 0.56144007 0.14531766 1\n C C5 1 0.06518648 1.06146861 0.64530097 1\n C C6 1 1.06528465 0.76980222 0.14531215 1\n C C7 1 0.06513535 0.76981288 0.47333438 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47569000\n_cell_length_b 4.18352000\n_cell_length_c 4.79366000\n_cell_angle_alpha 115.88126000\n_cell_angle_beta 90.00179000\n_cell_angle_gamma 89.99386000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.66870336\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73350389 0.79009480 0.46970178 1\n C C1 1 0.23354217 0.40473173 0.95818821 1\n C C2 1 0.23297643 0.21296427 0.31520712 1\n C C3 1 0.23386381 0.03362341 0.95809351 1\n C C4 1 0.73355703 0.45760316 0.80384230 1\n C C5 1 0.23348599 0.58269818 0.31444907 1\n C C6 1 0.73392079 0.82672617 0.80332549 1\n C C7 1 0.73300919 0.16083447 0.47056263 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63133000\n_cell_length_b 3.16370000\n_cell_length_c 9.36254000\n_cell_angle_alpha 97.20178000\n_cell_angle_beta 104.54072000\n_cell_angle_gamma 115.97620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 90.10982528\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09582071 0.52077050 0.01130363 1\n C C1 1 0.10482585 0.38946535 0.76134293 1\n C C2 1 -0.14652556 0.33833181 0.10566286 1\n C C3 1 0.51627441 0.97624119 0.51161363 1\n C C4 1 0.48401343 -0.17938422 0.85536432 1\n C C5 1 0.81699840 0.71670837 0.35765704 1\n C C6 1 1.01028682 0.56818513 0.26384031 1\n C C7 1 0.94874568 0.14641916 0.60442245 1\n C C8 1 0.44038265 0.73031482 0.35733878 1\n C C9 1 0.47262346 -0.09061591 0.01105873 1\n C C10 1 -0.13857431 0.20935696 0.85552269 1\n C C11 1 1.13991966 0.99085194 0.51129703 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48475000\n_cell_length_b 5.48681000\n_cell_length_c 4.59743000\n_cell_angle_alpha 69.54039000\n_cell_angle_beta 74.31583000\n_cell_angle_gamma 89.97773000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.22950868\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75787400 0.54157445 0.81184731 1\n C C1 1 0.20854018 0.36754601 0.91037199 1\n C C2 1 0.01846157 0.30341797 0.29334398 1\n C C3 1 -0.07498230 0.73134093 0.47604606 1\n C C4 1 0.66582853 0.97136419 -0.00677045 1\n C C5 1 0.24842118 0.11929137 0.82884594 1\n C C6 1 0.64028695 0.68587754 1.04248997 1\n C C7 1 0.04014769 0.58792981 0.24460660 1\n C C8 1 0.43624649 0.15585760 0.45765898 1\n C C9 1 0.47355272 0.90608313 0.37732162 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47244000\n_cell_length_b 4.80256000\n_cell_length_c 4.94676000\n_cell_angle_alpha 75.04097000\n_cell_angle_beta 120.00283000\n_cell_angle_gamma 75.12496000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60703968\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61027721 0.66996318 0.94548776 1\n C C1 1 0.77659896 0.17004458 0.86238304 1\n C C2 1 0.23573597 1.04401649 0.75877951 1\n C C3 1 0.40297876 0.54396345 0.17527145 1\n C C4 1 0.40271867 0.54407898 0.67520921 1\n C C5 1 0.23619370 1.04399801 0.25875020 1\n C C6 1 -0.22277944 0.16992968 0.36245220 1\n C C7 1 0.61022306 0.66998432 0.44542824 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37976000\n_cell_length_b 4.20507000\n_cell_length_c 5.26220000\n_cell_angle_alpha 53.57679000\n_cell_angle_beta 86.79132000\n_cell_angle_gamma 71.53083000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.21638133\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35703963 0.73787674 0.48023090 1\n C C1 1 0.10661503 0.48816364 0.23019311 1\n C C2 1 0.60652072 0.98791812 0.73055328 1\n C C3 1 0.85604961 0.23821427 -0.01943304 1\n C C4 1 0.60608149 0.32145670 0.73040817 1\n C C5 1 0.85568195 0.57175560 -0.01966038 1\n C C6 1 1.10623771 0.82187575 0.22989404 1\n C C7 1 0.35663436 0.07158337 0.47997572 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48285000\n_cell_length_b 3.81847000\n_cell_length_c 5.76616000\n_cell_angle_alpha 74.18215000\n_cell_angle_beta 115.28340000\n_cell_angle_gamma 108.83426000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.20056782\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35181031 0.13292617 0.29544787 1\n C C1 1 0.82456275 0.63603788 0.51792144 1\n C C2 1 0.78182469 -0.10748622 0.84640596 1\n C C3 1 0.96874626 0.03909022 0.46068926 1\n C C4 1 0.28739356 0.11547275 0.74091705 1\n C C5 1 0.44308491 0.54286704 0.68327273 1\n C C6 1 0.50888760 0.56106523 0.23813306 1\n C C7 1 0.01446942 0.78342203 0.13257312 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47600000\n_cell_length_b 4.18469000\n_cell_length_c 4.79555000\n_cell_angle_alpha 64.09955000\n_cell_angle_beta 89.99258000\n_cell_angle_gamma 89.98627000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.69714148\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11351379 0.84086621 0.47473069 1\n C C1 1 0.88638895 0.66223288 0.83133681 1\n C C2 1 0.38646994 0.41868311 0.31958890 1\n C C3 1 0.38634114 0.45460098 -0.01398260 1\n C C4 1 0.38621859 0.08525377 0.98604466 1\n C C5 1 0.38653007 0.78814619 0.31950260 1\n C C6 1 0.88647218 0.21088258 0.47486431 1\n C C7 1 0.88628192 0.03221189 0.83141813 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48034000\n_cell_length_b 3.68847000\n_cell_length_c 4.21711000\n_cell_angle_alpha 104.92585000\n_cell_angle_beta 90.01180000\n_cell_angle_gamma 109.66399000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.94475903\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31112880 0.30878249 1.00244923 1\n C C1 1 0.77003600 0.22109505 0.49818583 1\n C C2 1 -0.11024542 0.46613708 0.87184274 1\n C C3 1 0.56863974 0.82316634 0.57361721 1\n C C4 1 0.08952470 -0.13647657 0.79618887 1\n C C5 1 0.34815358 0.37761540 0.36726952 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43109000\n_cell_length_b 4.20598000\n_cell_length_c 5.68452000\n_cell_angle_alpha 94.54920000\n_cell_angle_beta 81.76271000\n_cell_angle_gamma 89.77336000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.33707131\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56278653 0.97214645 1.04745680 1\n C C1 1 0.56261149 0.30484441 1.04615750 1\n C C2 1 -0.19141872 0.55579383 0.54612236 1\n C C3 1 0.30875631 0.72309586 0.54742166 1\n C C4 1 1.06278653 0.47214645 0.04745680 1\n C C5 1 0.30858128 0.05579383 0.54612236 1\n C C6 1 0.80875631 0.22309586 0.54742166 1\n C C7 1 1.06261149 0.80484441 1.04615750 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.84877000\n_cell_length_b 4.81999000\n_cell_length_c 3.62414000\n_cell_angle_alpha 67.93076000\n_cell_angle_beta 97.97549000\n_cell_angle_gamma 99.51695000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.32224230\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.30134351 0.90135034 0.26591533 1\n C C1 1 0.30065677 0.09296692 0.47972560 1\n C C2 1 0.30007656 0.59312668 0.91946834 1\n C C3 1 0.30073749 0.90118567 -0.11504303 1\n C C4 1 0.30008864 0.40150800 0.32469617 1\n C C5 1 0.29934563 0.59341418 0.53810879 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43361000\n_cell_length_b 3.21010000\n_cell_length_c 7.45698000\n_cell_angle_alpha 95.47977000\n_cell_angle_beta 90.14620000\n_cell_angle_gamma 90.36542000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.98721012\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90506887 0.29731200 0.63625475 1\n C C1 1 0.40505040 0.54745330 0.38629973 1\n C C2 1 0.90512499 0.46673685 0.47055544 1\n C C3 1 0.40513266 1.21671226 0.72052801 1\n C C4 1 0.40510896 0.71681089 0.22057821 1\n C C5 1 0.90502928 -0.20256945 0.13628678 1\n C C6 1 0.90511729 -0.03315279 0.97056053 1\n C C7 1 0.40504526 0.04741514 0.88625985 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45204000\n_cell_length_b 7.56320000\n_cell_length_c 6.97645000\n_cell_angle_alpha 133.24101000\n_cell_angle_beta 79.89813000\n_cell_angle_gamma 99.35207000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 92.62767964\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02801512 0.14082035 0.71067324 1\n C C1 1 0.22362623 0.25120141 0.42542546 1\n C C2 1 0.28608512 0.69344734 0.74484271 1\n C C3 1 0.31518585 0.24330099 0.23099915 1\n C C4 1 0.87503168 0.27084780 0.14030580 1\n C C5 1 0.61514916 0.66168732 1.05651541 1\n C C6 1 0.39899819 0.66162689 0.48583407 1\n C C7 1 -0.05831764 0.57237804 0.31333965 1\n C C8 1 -0.08384603 0.05017272 0.84050837 1\n C C9 1 1.06045374 0.64388156 0.14559993 1\n C C10 1 0.38190005 0.90220500 0.76034192 1\n C C11 1 0.68315058 0.31346816 0.57094679 1\n C C12 1 0.57440260 0.19550483 0.67060825 1\n C C13 1 0.71996606 0.61936980 0.80201334 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52746000\n_cell_length_b 4.29630000\n_cell_length_c 5.39949000\n_cell_angle_alpha 121.02149000\n_cell_angle_beta 111.01401000\n_cell_angle_gamma 85.04201000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.54800572\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23447314 1.08450886 0.55227059 1\n C C1 1 0.01291456 0.41118811 0.52598729 1\n C C2 1 0.63336938 0.28201052 0.20399852 1\n C C3 1 1.04740797 0.37797467 0.08439055 1\n C C4 1 0.47162306 0.87925576 1.07441536 1\n C C5 1 0.09220627 0.74955300 0.75258053 1\n C C6 1 0.05707200 0.78274584 0.19378195 1\n C C7 1 0.87039463 0.07586234 0.72559611 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46985000\n_cell_length_b 3.23694000\n_cell_length_c 5.18646000\n_cell_angle_alpha 89.15589000\n_cell_angle_beta 90.00701000\n_cell_angle_gamma 67.48125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.29809035\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87250749 0.79683081 0.30692285 1\n C C1 1 -0.13419829 0.81009359 0.86876067 1\n C C2 1 0.68741827 0.16486220 0.08841969 1\n C C3 1 1.04800400 0.44231380 1.08922413 1\n C C4 1 0.36616275 0.80979274 0.71601785 1\n C C5 1 0.37270169 0.79694196 0.45979672 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49130000\n_cell_length_b 4.35330000\n_cell_length_c 3.59330000\n_cell_angle_alpha 95.67926000\n_cell_angle_beta 69.70304000\n_cell_angle_gamma 106.60828000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02603936\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22818796 0.79244951 0.61252004 1\n C C1 1 0.41007822 0.41650953 0.87185708 1\n C C2 1 0.51755364 0.99838742 0.24239116 1\n C C3 1 1.12307897 0.21085048 0.24266234 1\n C C4 1 0.59954407 0.79280200 0.87142242 1\n C C5 1 0.04006263 0.41649677 0.61277267 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64114000\n_cell_length_b 3.49455000\n_cell_length_c 5.70934000\n_cell_angle_alpha 99.85157000\n_cell_angle_beta 90.00574000\n_cell_angle_gamma 121.43693000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.72322542\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17255426 0.29115610 0.16747285 1\n C C1 1 1.03344151 0.63644681 0.87595576 1\n C C2 1 0.83688808 0.90720270 -0.03099117 1\n C C3 1 0.32474259 0.78608080 0.67204470 1\n C C4 1 0.38484091 0.71612549 0.06734183 1\n C C5 1 0.78197786 1.11985599 0.77035051 1\n C C6 1 -0.09902298 0.37119771 0.35875248 1\n C C7 1 0.43337084 0.10030326 0.26566209 1\n C C8 1 1.04299679 1.22246734 0.56265606 1\n C C9 1 0.16615643 0.88863020 0.46424078 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47923000\n_cell_length_b 4.25729000\n_cell_length_c 9.14847000\n_cell_angle_alpha 82.66794000\n_cell_angle_beta 74.26528000\n_cell_angle_gamma 89.94870000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.12446823\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30451894 0.63349350 0.10369496 1\n C C1 1 0.63309228 0.92578947 0.27441137 1\n C C2 1 0.01920607 0.39560521 0.89348115 1\n C C3 1 0.53617124 0.91723198 0.87632957 1\n C C4 1 0.42814145 0.21045884 0.48804085 1\n C C5 1 1.34750092 0.51387067 0.56664759 1\n C C6 1 0.14616210 0.44534651 0.26275910 1\n C C7 1 0.59699539 0.25893417 0.31376002 1\n C C8 1 0.79794097 0.84643689 0.10991605 1\n C C9 1 0.86106128 1.03339054 0.55545515 1\n C C10 1 0.95857026 0.04084668 0.95298319 1\n C C11 1 0.47390090 0.56219379 0.93694973 1\n C C12 1 0.69628560 0.11260882 0.71964939 1\n C C13 1 0.18975915 0.32570289 0.72573567 1\n C C14 1 1.06621085 0.74880708 0.34170008 1\n C C15 1 0.89628258 0.70021658 0.51623682 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43210000\n_cell_length_b 4.58793000\n_cell_length_c 4.73309000\n_cell_angle_alpha 87.02553000\n_cell_angle_beta 104.06433000\n_cell_angle_gamma 121.08605000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.70064658\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94492496 1.06367511 1.01452042 1\n C C1 1 0.16691868 0.50832780 0.56957499 1\n C C2 1 0.50021524 0.17498492 0.90289848 1\n C C3 1 -0.16641081 0.84168166 0.23625876 1\n C C4 1 0.61155101 0.39697836 0.68116014 1\n C C5 1 0.27822152 0.73033222 0.34784391 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45862000\n_cell_length_b 3.39155000\n_cell_length_c 5.96621000\n_cell_angle_alpha 108.20442000\n_cell_angle_beta 102.03104000\n_cell_angle_gamma 110.96327000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.15572254\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40559199 0.31104805 0.88931449 1\n C C1 1 0.87665341 0.38237596 0.76198231 1\n C C2 1 0.01750410 0.06297070 0.35937730 1\n C C3 1 0.24189829 0.91739112 0.95570894 1\n C C4 1 0.77230071 0.84761432 0.08368454 1\n C C5 1 0.63276461 0.16888505 0.48615172 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43071000\n_cell_length_b 3.29671000\n_cell_length_c 8.30838000\n_cell_angle_alpha 109.23601000\n_cell_angle_beta 92.18798000\n_cell_angle_gamma 108.76454000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.74075877\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40705282 0.47215626 0.40543643 1\n C C1 1 0.99117711 0.64019294 0.48866300 1\n C C2 1 0.65705282 0.97215626 0.15543643 1\n C C3 1 -0.09294718 0.47215626 0.90543643 1\n C C4 1 0.74117711 0.14019294 0.73866300 1\n C C5 1 0.15705282 0.97215626 0.65543643 1\n C C6 1 0.49117711 0.64019294 -0.01133700 1\n C C7 1 0.24117711 1.14019294 0.23866300 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.54391000\n_cell_length_b 5.21291000\n_cell_length_c 5.56999000\n_cell_angle_alpha 126.13848000\n_cell_angle_beta 91.48627000\n_cell_angle_gamma 113.38497000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.42934985\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69372660 0.81677305 0.75366655 1\n C C1 1 0.33534274 0.47642859 0.92263561 1\n C C2 1 0.33176113 0.65006609 0.25288969 1\n C C3 1 0.58932210 0.57094087 0.40299832 1\n C C4 1 0.94060495 1.28543468 0.42623805 1\n C C5 1 0.24243656 0.60307392 0.77066631 1\n C C6 1 0.88135833 0.43748832 0.25989879 1\n C C7 1 0.49006519 1.07280833 0.43311466 1\n C C8 1 0.58057357 0.11987401 -0.08460985 1\n C C9 1 0.12937139 0.90635372 0.93258024 1\n C C10 1 0.23292546 0.15208574 0.28304172 1\n C C11 1 0.48718509 0.24623918 0.76332681 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48272000\n_cell_length_b 5.74564000\n_cell_length_c 4.82490000\n_cell_angle_alpha 89.97619000\n_cell_angle_beta 89.99512000\n_cell_angle_gamma 102.44791000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.20835783\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56250193 0.47478223 0.46985098 1\n C C1 1 0.98832480 0.32617326 0.87220515 1\n C C2 1 0.34726645 1.03441205 0.14013683 1\n C C3 1 -0.07596305 0.19005572 0.14020681 1\n C C4 1 0.68350423 0.70696921 0.31091184 1\n C C5 1 1.25670646 0.85407896 0.90738995 1\n C C6 1 0.98857602 0.32637902 0.40741967 1\n C C7 1 0.56231051 0.47464876 0.81101917 1\n C C8 1 0.68330048 0.70673206 0.96992120 1\n C C9 1 0.32108788 0.98995503 0.64022258 1\n C C10 1 0.89827210 0.14635495 0.64035173 1\n C C11 1 0.25682879 0.85432833 0.37220299 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.67559000\n_cell_length_b 4.40043000\n_cell_length_c 4.89754000\n_cell_angle_alpha 85.74605000\n_cell_angle_beta 85.06492000\n_cell_angle_gamma 62.52016000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.96242982\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73576512 0.89991660 0.42064316 1\n C C1 1 0.46737486 0.67550485 0.10011307 1\n C C2 1 -0.08135308 0.14064561 0.36120008 1\n C C3 1 0.36639748 0.87193417 0.35784065 1\n C C4 1 0.78327974 0.33910921 0.10153433 1\n C C5 1 0.81082469 0.36538348 0.60504022 1\n C C6 1 0.36274573 0.63384942 0.60847951 1\n C C7 1 -0.05138527 0.16718782 -0.13543512 1\n C C8 1 0.99173743 0.60721909 0.54978901 1\n C C9 1 0.26314261 0.83038174 -0.13375031 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46329000\n_cell_length_b 5.84213000\n_cell_length_c 11.14921000\n_cell_angle_alpha 95.48740000\n_cell_angle_beta 83.51686000\n_cell_angle_gamma 90.33612000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 158.68813085\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70287582 1.01014430 1.04821474 1\n C C1 1 -0.24726652 0.59575436 0.93599497 1\n C C2 1 0.96240280 0.28171488 0.48000955 1\n C C3 1 0.36673095 0.24962653 0.67051717 1\n C C4 1 1.11915369 0.84494858 0.21467035 1\n C C5 1 0.68953973 0.54952110 0.06936116 1\n C C6 1 0.49276923 0.30212615 0.41895639 1\n C C7 1 0.46945235 0.78169314 0.51678527 1\n C C8 1 0.75959217 0.85065898 0.93414082 1\n C C9 1 0.89619541 0.25340311 0.60800626 1\n C C10 1 0.28969471 0.53139281 0.85923586 1\n C C11 1 0.65427170 0.82231011 0.14352256 1\n C C12 1 0.52820668 0.82551400 0.39882426 1\n C C13 1 0.17113625 0.41162320 0.10144053 1\n C C14 1 0.29583966 0.90482697 0.86540441 1\n C C15 1 0.87982410 0.71643567 0.69505442 1\n C C16 1 0.34464894 0.71534614 0.76427669 1\n C C17 1 0.30640846 0.29643737 0.80395805 1\n C C18 1 0.21231981 0.16476524 0.02969881 1\n C C19 1 0.56171690 0.34648470 0.29305671 1\n C C20 1 -0.06107264 0.75627992 0.57805201 1\n C C21 1 0.28590665 0.14889794 0.88653400 1\n C C22 1 0.09378774 0.37044415 0.23357767 1\n C C23 1 0.05905541 0.84099177 0.33607795 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47515000\n_cell_length_b 3.72206000\n_cell_length_c 4.24616000\n_cell_angle_alpha 64.06604000\n_cell_angle_beta 89.99950000\n_cell_angle_gamma 89.98739000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17913947\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68705771 0.66884572 0.13444390 1\n C C1 1 0.68702600 0.82538856 0.41245610 1\n C C2 1 0.18701319 0.87097631 0.91178574 1\n C C3 1 0.18702529 0.71405744 0.63389247 1\n C C4 1 1.18711620 0.27970400 0.91142323 1\n C C5 1 -0.31298698 0.26000777 0.13476526 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.50712000\n_cell_length_b 4.23745000\n_cell_length_c 5.21008000\n_cell_angle_alpha 53.72124000\n_cell_angle_beta 73.51947000\n_cell_angle_gamma 87.88174000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.98984787\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37511627 1.11041516 0.96491461 1\n C C1 1 0.14184498 0.05190202 0.25362735 1\n C C2 1 0.85127287 0.19933167 0.39886337 1\n C C3 1 0.62167717 0.48921620 0.34203909 1\n C C4 1 0.14173305 0.72474666 0.58128796 1\n C C5 1 0.61576520 0.81212196 0.01582349 1\n C C6 1 0.85073448 0.87178414 0.72689181 1\n C C7 1 0.37094658 0.43467478 0.63850872 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44829000\n_cell_length_b 3.50068000\n_cell_length_c 7.59932000\n_cell_angle_alpha 100.07855000\n_cell_angle_beta 90.01253000\n_cell_angle_gamma 110.52058000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.92323205\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60139116 0.30826186 0.13361608 1\n C C1 1 0.18506253 0.47578766 1.04655062 1\n C C2 1 0.83885909 0.78817665 0.45852027 1\n C C3 1 0.21809131 0.54736484 0.71800396 1\n C C4 1 0.69298306 0.49592771 0.60320961 1\n C C5 1 0.48262541 0.07784706 0.45840779 1\n C C6 1 0.42915217 0.96837374 0.84133586 1\n C C7 1 0.39132901 0.89380801 0.02762726 1\n C C8 1 0.63265689 0.37665175 0.32838824 1\n C C9 1 0.06344557 0.23779561 0.84465301 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44238000\n_cell_length_b 6.42816000\n_cell_length_c 6.71418000\n_cell_angle_alpha 49.08752000\n_cell_angle_beta 79.56399000\n_cell_angle_gamma 78.89013000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.95375981\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19362572 0.26419768 0.80365390 1\n C C1 1 0.54552886 -0.16119415 0.51064503 1\n C C2 1 -0.24434973 0.58236281 0.36071365 1\n C C3 1 0.45453938 0.35400376 0.19828385 1\n C C4 1 0.89415067 0.82756953 0.82785536 1\n C C5 1 0.65051728 0.88951092 0.25735671 1\n C C6 1 1.01388065 0.27560589 0.15996877 1\n C C7 1 0.32438684 0.56033221 0.24384105 1\n C C8 1 0.71072340 0.37078303 0.66529087 1\n C C9 1 0.13517586 0.07334563 0.10595240 1\n C C10 1 0.35746854 0.77729358 -0.04643022 1\n C C11 1 0.99331553 0.84473153 0.60840425 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45671000\n_cell_length_b 2.53213000\n_cell_length_c 6.40469000\n_cell_angle_alpha 97.92910000\n_cell_angle_beta 89.19123000\n_cell_angle_gamma 90.28692000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.45668807\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48778212 -0.04991259 0.15980464 1\n C C1 1 0.99983739 0.64495249 0.60132033 1\n C C2 1 0.48422520 0.84376346 0.92865811 1\n C C3 1 0.49840470 0.48563536 0.26365452 1\n C C4 1 0.50377526 0.58373102 0.49435933 1\n C C5 1 -0.01186007 -0.22221885 0.82273806 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46771000\n_cell_length_b 4.26100000\n_cell_length_c 7.77127000\n_cell_angle_alpha 110.99339000\n_cell_angle_beta 118.45176000\n_cell_angle_gamma 90.00480000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.60823889\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52698325 0.76552776 0.15890905 1\n C C1 1 0.32282048 1.03646049 0.07243319 1\n C C2 1 0.69158548 -0.07371006 0.50813921 1\n C C3 1 0.51652911 0.37447816 0.82747808 1\n C C4 1 1.17917518 0.35456223 0.39930061 1\n C C5 1 0.96583790 0.87924502 0.83445601 1\n C C6 1 0.89439652 0.54141339 0.07969375 1\n C C7 1 0.02816363 -0.01110031 0.39910048 1\n C C8 1 0.94131204 0.25688503 0.15835584 1\n C C9 1 0.84235535 0.56097901 0.50831143 1\n C C10 1 -0.08945913 0.15040236 0.74818085 1\n C C11 1 0.32648357 0.65890363 0.74891298 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50282000\n_cell_length_b 7.15258000\n_cell_length_c 4.28092000\n_cell_angle_alpha 69.13245000\n_cell_angle_beta 87.04298000\n_cell_angle_gamma 72.39830000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.12033745\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59897372 0.26536339 0.18866786 1\n C C1 1 0.19022455 0.62364863 0.46977726 1\n C C2 1 0.40964964 0.02583363 0.72891632 1\n C C3 1 0.40026866 0.24783067 0.54044639 1\n C C4 1 0.85560872 0.02996006 0.23549738 1\n C C5 1 1.21011011 0.40141635 0.65325938 1\n C C6 1 0.43015945 0.94357520 0.44655831 1\n C C7 1 0.01879774 0.38148811 0.00513049 1\n C C8 1 0.74688309 0.61920057 -0.03682732 1\n C C9 1 0.62338715 0.70969153 0.58347426 1\n C C10 1 0.17232246 0.69601215 0.09141925 1\n C C11 1 0.96079952 0.95009950 0.94501373 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.59492000\n_cell_length_b 5.21617000\n_cell_length_c 4.34037000\n_cell_angle_alpha 113.97816000\n_cell_angle_beta 92.18570000\n_cell_angle_gamma 103.35924000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.64741980\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.09381956 0.76971653 -0.13630060 1\n C C1 1 0.17658195 0.30001984 0.46868613 1\n C C2 1 0.05918643 1.05095909 0.52336614 1\n C C3 1 0.92487470 0.76975847 0.22246706 1\n C C4 1 0.05097097 0.05100830 0.84425945 1\n C C5 1 0.31245056 0.58107451 0.76947578 1\n C C6 1 0.18463391 0.29993076 0.14781347 1\n C C7 1 0.33120294 0.58106800 0.12802207 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35147000\n_cell_length_b 4.58171000\n_cell_length_c 3.40570000\n_cell_angle_alpha 89.19894000\n_cell_angle_beta 92.08321000\n_cell_angle_gamma 111.48858000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.62885865\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34977929 0.01163052 0.33427615 1\n C C1 1 0.01515531 0.01161196 0.00135615 1\n C C2 1 0.65182986 0.61585670 0.51425196 1\n C C3 1 0.57498190 0.79726072 0.16799603 1\n C C4 1 0.67533147 0.29674528 0.52412444 1\n C C5 1 0.08659914 0.82129327 0.66798234 1\n C C6 1 0.31548246 0.61589486 0.82194177 1\n C C7 1 0.97397096 0.29648050 0.81114226 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47880000\n_cell_length_b 2.47824000\n_cell_length_c 6.31145000\n_cell_angle_alpha 78.70350000\n_cell_angle_beta 90.02549000\n_cell_angle_gamma 120.04026000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.69500663\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49095687 0.80935657 0.61317995 1\n C C1 1 0.71331364 0.25523641 -0.05538009 1\n C C2 1 0.18606709 0.19945667 0.52976080 1\n C C3 1 0.27015300 0.36847664 0.27898396 1\n C C4 1 0.63093608 1.09038666 0.19551174 1\n C C5 1 0.40763192 0.64357637 0.86094204 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.72990000\n_cell_length_b 5.13123000\n_cell_length_c 3.72458000\n_cell_angle_alpha 96.46015000\n_cell_angle_beta 104.70329000\n_cell_angle_gamma 96.59348000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.74580821\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63743407 0.09439472 0.83104247 1\n C C1 1 0.37526878 0.09423195 0.09099171 1\n C C2 1 0.53764467 0.25183060 0.49286666 1\n C C3 1 0.22554749 0.81821539 0.10516798 1\n C C4 1 0.92577457 0.68486372 0.80836772 1\n C C5 1 0.20134754 0.41005638 0.39509993 1\n C C6 1 0.03836489 0.25217695 0.99257166 1\n C C7 1 0.65107552 0.81850133 0.68081911 1\n C C8 1 -0.06038869 0.40992672 0.65469649 1\n C C9 1 0.35541466 0.68502264 0.38027836 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49418000\n_cell_length_b 3.96922000\n_cell_length_c 10.74000000\n_cell_angle_alpha 76.96313000\n_cell_angle_beta 96.32187000\n_cell_angle_gamma 87.92908000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 102.75069153\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80156528 0.92030045 0.85395628 1\n C C1 1 1.04182375 0.41791597 0.27496107 1\n C C2 1 0.88492594 0.10666227 -0.03132846 1\n C C3 1 0.80848020 0.66759572 0.51442454 1\n C C4 1 0.57418135 0.18799216 0.72350397 1\n C C5 1 0.53821672 0.94152824 0.26304726 1\n C C6 1 0.51481827 0.31608998 0.21254104 1\n C C7 1 0.38516249 0.34562788 0.96691915 1\n C C8 1 1.02917462 0.11798739 0.64803564 1\n C C9 1 -0.07935957 0.73643735 0.64665972 1\n C C10 1 0.44564763 0.53668462 0.07699596 1\n C C11 1 0.09777821 0.19276925 0.40985114 1\n C C12 1 0.62528248 -0.03748289 0.40657634 1\n C C13 1 0.01397499 0.34992203 0.51702667 1\n C C14 1 0.35493793 0.67466236 0.85289676 1\n C C15 1 0.02017200 0.78944323 0.22442379 1\n C C16 1 0.45190987 0.57158205 0.72234552 1\n C C17 1 -0.05535976 0.77277853 0.07958941 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51854000\n_cell_length_b 3.31865000\n_cell_length_c 3.51696000\n_cell_angle_alpha 90.00581000\n_cell_angle_beta 120.00737000\n_cell_angle_gamma 90.00112000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.56229203\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73205462 0.27723950 0.25708240 1\n C C1 1 0.03617483 0.60942348 0.25677337 1\n C C2 1 0.80465029 0.77723262 0.79345748 1\n C C3 1 0.50007368 0.10945357 0.79370954 1\n C C4 1 0.50013123 0.44399354 0.48871961 1\n C C5 1 1.03620426 0.94401819 0.56156890 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52316000\n_cell_length_b 2.43893000\n_cell_length_c 14.38618000\n_cell_angle_alpha 80.23076000\n_cell_angle_beta 79.99228000\n_cell_angle_gamma 89.93453000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.88191063\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46121795 0.30058671 0.62703082 1\n C C1 1 0.84030659 0.67934694 0.75011749 1\n C C2 1 0.58497815 -0.07032819 1.00283704 1\n C C3 1 0.74235304 0.58352951 0.84810437 1\n C C4 1 0.68982988 0.03290043 0.89951934 1\n C C5 1 0.02507045 0.86634926 0.06358803 1\n C C6 1 0.89793870 0.23595112 0.69190458 1\n C C7 1 0.86513410 0.20237970 0.22253492 1\n C C8 1 0.81280396 0.65003314 0.27380558 1\n C C9 1 0.15045909 0.49003108 0.43572389 1\n C C10 1 0.70674259 0.54635194 0.37811600 1\n C C11 1 0.08446950 0.92524965 0.50205958 1\n C C12 1 0.96487627 0.30368175 0.12425750 1\n C C13 1 0.52358371 0.86405887 0.56396416 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42634000\n_cell_length_b 3.58078000\n_cell_length_c 6.41692000\n_cell_angle_alpha 104.54648000\n_cell_angle_beta 100.98021000\n_cell_angle_gamma 119.80543000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.40077127\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05682638 0.57472454 0.83854281 1\n C C1 1 0.72346944 0.57463681 0.17185291 1\n C C2 1 0.39056528 0.57510138 0.50532197 1\n C C3 1 0.61258218 0.57504004 0.94980793 1\n C C4 1 0.27967802 0.57550462 0.28327699 1\n C C5 1 -0.05367892 0.57541688 0.61658709 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47839000\n_cell_length_b 2.47851000\n_cell_length_c 6.31300000\n_cell_angle_alpha 78.67988000\n_cell_angle_beta 78.69128000\n_cell_angle_gamma 59.97746000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.70318728\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67679460 0.17644876 0.38778227 1\n C C1 1 0.89946461 0.39852292 0.71862020 1\n C C2 1 0.81444328 0.31469345 -0.03053081 1\n C C3 1 0.59442586 0.09347057 0.63535885 1\n C C4 1 0.37093449 0.87075111 0.30408771 1\n C C5 1 0.45347425 -0.04637230 0.05308800 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48321000\n_cell_length_b 4.72121000\n_cell_length_c 6.27161000\n_cell_angle_alpha 73.39975000\n_cell_angle_beta 78.56931000\n_cell_angle_gamma 74.72527000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.36964341\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83374856 0.24773306 0.14051995 1\n C C1 1 0.93550420 -0.08212471 0.27080973 1\n C C2 1 0.54337686 0.14257737 0.82830965 1\n C C3 1 0.65379884 0.80450195 -0.05755126 1\n C C4 1 0.11590709 0.72637320 0.09846347 1\n C C5 1 0.39997026 0.63311659 0.62153164 1\n C C6 1 0.37101698 -0.10158758 0.41872587 1\n C C7 1 0.93864783 0.28174406 0.89966039 1\n C C8 1 0.18343893 0.23256929 0.46078342 1\n C C9 1 0.59110140 0.29896695 0.57849639 1\n C C10 1 0.22739304 0.38826403 0.21121059 1\n C C11 1 0.83641112 0.61206999 0.77044006 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47265000\n_cell_length_b 3.40691000\n_cell_length_c 9.00178000\n_cell_angle_alpha 108.47617000\n_cell_angle_beta 90.03655000\n_cell_angle_gamma 111.26250000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.45190972\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31320406 0.67435688 0.48839316 1\n C C1 1 0.59470345 0.23959482 0.06487324 1\n C C2 1 0.21650360 0.48182438 0.31634558 1\n C C3 1 0.67583878 0.39964654 0.23726148 1\n C C4 1 0.18264020 0.41187272 0.61027785 1\n C C5 1 0.80713974 0.66271972 0.68898076 1\n C C6 1 0.89241941 0.83672075 0.86430358 1\n C C7 1 0.93931606 -0.07568186 0.56745175 1\n C C8 1 0.14090375 0.33407136 0.98543661 1\n C C9 1 0.34484954 0.74032719 -0.05619541 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48456000\n_cell_length_b 3.82307000\n_cell_length_c 5.22520000\n_cell_angle_alpha 98.69974000\n_cell_angle_beta 90.03380000\n_cell_angle_gamma 71.04261000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.33761942\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61097841 0.11856761 0.62805156 1\n C C1 1 0.94516724 0.44943930 0.02069866 1\n C C2 1 0.72961895 0.87754882 0.07836410 1\n C C3 1 0.55536158 0.22715823 0.91474585 1\n C C4 1 0.18394843 -0.02862822 0.24349832 1\n C C5 1 0.22138196 0.89617654 0.52291727 1\n C C6 1 -0.01772406 0.37476294 0.30042029 1\n C C7 1 0.43670810 0.46831758 0.46504055 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43066000\n_cell_length_b 3.14925000\n_cell_length_c 5.75426000\n_cell_angle_alpha 92.81255000\n_cell_angle_beta 100.15959000\n_cell_angle_gamma 93.77496000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18008665\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57989633 0.83301545 0.73810940 1\n C C1 1 0.80232293 0.27297259 0.18401246 1\n C C2 1 0.24664451 0.16433148 0.07197680 1\n C C3 1 0.91338096 0.49328473 0.40637092 1\n C C4 1 0.13551214 0.94314460 0.84980018 1\n C C5 1 0.46888834 0.60306494 0.51796354 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43231000\n_cell_length_b 4.49919000\n_cell_length_c 4.12470000\n_cell_angle_alpha 96.09702000\n_cell_angle_beta 89.19395000\n_cell_angle_gamma 105.06750000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.33563931\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54189876 0.21371006 0.15673129 1\n C C1 1 0.09635774 0.32345596 1.04280114 1\n C C2 1 0.20888532 0.54753892 0.82367432 1\n C C3 1 0.42974122 0.98956983 0.37582305 1\n C C4 1 0.87485712 0.87901326 0.48798906 1\n C C5 1 0.76373314 0.65800667 0.71129843 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47738000\n_cell_length_b 2.47778000\n_cell_length_c 6.31065000\n_cell_angle_alpha 90.01866000\n_cell_angle_beta 101.38106000\n_cell_angle_gamma 59.94109000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.64599101\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79310543 1.03025648 0.72858979 1\n C C1 1 0.85092165 0.50300470 0.31432488 1\n C C2 1 0.40400445 0.72443781 0.64481017 1\n C C3 1 0.23938236 -0.19215609 0.39734393 1\n C C4 1 -0.04067812 0.94941333 0.97967521 1\n C C5 1 0.68277182 0.58824517 0.06350842 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42688000\n_cell_length_b 4.87124000\n_cell_length_c 4.22005000\n_cell_angle_alpha 90.52189000\n_cell_angle_beta 90.01933000\n_cell_angle_gamma 60.08468000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.23972046\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62950852 0.83572005 1.05235529 1\n C C1 1 0.22250209 0.24416687 0.45978937 1\n C C2 1 0.28212958 0.18401096 0.11135354 1\n C C3 1 0.63446928 0.33141347 0.96425765 1\n C C4 1 0.69563506 0.27094971 0.61558779 1\n C C5 1 0.28577397 0.67984143 0.02452176 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46330000\n_cell_length_b 5.59855000\n_cell_length_c 6.35031000\n_cell_angle_alpha 105.50540000\n_cell_angle_beta 119.06521000\n_cell_angle_gamma 96.37501000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.68027456\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44326509 0.76902330 0.47673483 1\n C C1 1 0.92392166 0.74798355 0.76680628 1\n C C2 1 0.35257013 0.23482525 0.39457282 1\n C C3 1 0.06707973 0.14732795 0.10059743 1\n C C4 1 0.52158418 0.06251067 0.56355938 1\n C C5 1 0.23300550 0.43403674 0.07721121 1\n C C6 1 0.74746702 0.61407779 0.35349876 1\n C C7 1 0.96898608 0.40839881 0.47590550 1\n C C8 1 0.53195240 0.42470561 0.91899945 1\n C C9 1 0.23052396 0.14389597 0.73749440 1\n C C10 1 0.37010191 0.58929079 0.75656221 1\n C C11 1 0.33999895 0.02328827 -0.05427437 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43580000\n_cell_length_b 7.34733000\n_cell_length_c 9.62004000\n_cell_angle_alpha 63.29858000\n_cell_angle_beta 75.33071000\n_cell_angle_gamma 99.47977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 140.85618956\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19475031 0.19795354 0.07746399 1\n C C1 1 0.31806367 1.01482843 0.35977659 1\n C C2 1 1.46103115 0.65478433 0.53652198 1\n C C3 1 0.02746393 0.33341820 0.81152129 1\n C C4 1 0.12803817 0.77415647 0.42906467 1\n C C5 1 0.36656705 0.45171204 0.53218553 1\n C C6 1 0.46700490 0.82297733 0.11084176 1\n C C7 1 0.79332879 0.23015735 0.99399361 1\n C C8 1 1.23636354 0.86570419 0.86428096 1\n C C9 1 0.62456125 0.42738417 0.26193347 1\n C C10 1 0.60153267 0.55211689 0.34609220 1\n C C11 1 0.10223163 0.34862099 0.24396983 1\n C C12 1 0.64170412 0.07214137 0.56683228 1\n C C13 1 0.09843664 0.24327789 0.69714098 1\n C C14 1 0.70579535 0.76599212 0.84534588 1\n C C15 1 0.22215382 0.69902117 0.29710525 1\n C C16 1 1.05189820 0.83929085 0.03246736 1\n C C17 1 0.71673486 0.64724898 0.77468194 1\n C C18 1 0.23145048 0.57765373 0.72535906 1\n C C19 1 -0.01959367 0.13318796 0.25661143 1\n C C20 1 0.51666556 0.10691084 0.70997814 1\n C C21 1 0.18975450 1.04818384 0.50671610 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48711000\n_cell_length_b 4.06305000\n_cell_length_c 4.69366000\n_cell_angle_alpha 105.99248000\n_cell_angle_beta 89.97242000\n_cell_angle_gamma 90.02428000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.59494486\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95128408 0.73047422 0.36071891 1\n C C1 1 0.45114715 0.15795311 0.13174788 1\n C C2 1 0.45118210 0.50628960 0.36587698 1\n C C3 1 0.45124623 0.16585420 0.78333145 1\n C C4 1 0.45080396 0.49855951 0.71417038 1\n C C5 1 -0.04881172 0.96479324 0.66901940 1\n C C6 1 0.95082007 0.69979943 0.82810664 1\n C C7 1 0.95108263 0.93225609 0.13645626 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.09788000\n_cell_length_b 2.43128000\n_cell_length_c 8.09537000\n_cell_angle_alpha 99.00814000\n_cell_angle_beta 120.44134000\n_cell_angle_gamma 112.72588000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.46832760\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39472412 0.83093136 0.62663941 1\n C C1 1 0.06441407 0.83257538 0.95976982 1\n C C2 1 0.61713001 0.49692571 0.73759270 1\n C C3 1 0.95831393 0.50094259 0.40378092 1\n C C4 1 0.73710175 -0.16458810 0.29259997 1\n C C5 1 0.29086241 0.50053915 0.07042788 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53357000\n_cell_length_b 3.76652000\n_cell_length_c 5.04995000\n_cell_angle_alpha 89.96730000\n_cell_angle_beta 89.72921000\n_cell_angle_gamma 89.94030000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.18979827\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61999324 0.24788787 0.98641638 1\n C C1 1 0.11904105 0.22530874 0.42300349 1\n C C2 1 0.11712790 0.74331620 1.14582656 1\n C C3 1 0.61968825 0.85001359 0.98581913 1\n C C4 1 1.11720239 0.35442887 1.14615616 1\n C C5 1 0.62125044 0.54682117 0.77818425 1\n C C6 1 0.11888674 0.86863431 0.42300234 1\n C C7 1 0.12223249 0.54613004 0.60850809 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06612000\n_cell_length_b 2.42904000\n_cell_length_c 6.09561000\n_cell_angle_alpha 86.95409000\n_cell_angle_beta 98.16731000\n_cell_angle_gamma 72.84600000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.72163234\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.15190258 0.45782853 1.01414412 1\n C C1 1 0.40233201 0.68118487 0.56950072 1\n C C2 1 0.06897713 0.34785321 0.23617080 1\n C C3 1 0.73576629 0.01449114 0.90281806 1\n C C4 1 0.51474254 1.12449687 0.68081420 1\n C C5 1 1.18130826 0.79119060 0.34749686 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46803000\n_cell_length_b 4.26007000\n_cell_length_c 6.53221000\n_cell_angle_alpha 76.93024000\n_cell_angle_beta 100.89106000\n_cell_angle_gamma 89.98026000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.62878774\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76762483 0.36161045 0.79033446 1\n C C1 1 0.08548073 0.94553978 0.54457002 1\n C C2 1 0.20297811 0.86413036 0.78245651 1\n C C3 1 0.31883379 0.50702113 0.86861177 1\n C C4 1 0.64101069 0.44771049 0.53790519 1\n C C5 1 0.53185190 0.81122281 0.45881980 1\n C C6 1 0.73364545 0.99871244 0.86786442 1\n C C7 1 1.11534304 0.30343688 0.45831333 1\n C C8 1 1.13211331 0.31870927 0.21798838 1\n C C9 1 0.57735314 0.49035627 0.10906302 1\n C C10 1 0.72823651 0.85576134 0.10897292 1\n C C11 1 0.28378500 -0.04665291 0.21788739 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.85548000\n_cell_length_b 3.48551000\n_cell_length_c 4.82179000\n_cell_angle_alpha 110.75090000\n_cell_angle_beta 125.25471000\n_cell_angle_gamma 97.96159000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.20712112\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01597772 0.68050654 0.30449464 1\n C C1 1 0.42207373 0.08458150 0.51854815 1\n C C2 1 0.07667455 0.73926406 0.86444622 1\n C C3 1 0.80211550 0.46575303 0.89891635 1\n C C4 1 0.86351711 0.52409850 0.45876319 1\n C C5 1 0.45744510 0.12000646 0.24472165 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43892000\n_cell_length_b 4.69142000\n_cell_length_c 4.69035000\n_cell_angle_alpha 112.78216000\n_cell_angle_beta 74.82100000\n_cell_angle_gamma 105.19620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.96827732\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53507946 0.68053872 0.79449158 1\n C C1 1 1.19250143 0.20070607 1.00024724 1\n C C2 1 0.68926743 0.62701570 0.43402392 1\n C C3 1 0.38002565 0.31953748 0.73956126 1\n C C4 1 1.13589453 0.41338833 0.32412558 1\n C C5 1 0.93316897 0.21142412 0.52662215 1\n C C6 1 0.87728358 -0.11253919 0.31522994 1\n C C7 1 0.03522624 0.85759835 0.97188852 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47787000\n_cell_length_b 4.94810000\n_cell_length_c 7.29835000\n_cell_angle_alpha 81.22766000\n_cell_angle_beta 75.75096000\n_cell_angle_gamma 72.93054000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.59813613\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55509176 0.99742257 0.87740846 1\n C C1 1 0.89450737 0.90590771 0.20790212 1\n C C2 1 0.94647166 0.28745659 0.60444950 1\n C C3 1 0.38580841 0.26133501 0.73704165 1\n C C4 1 0.26400919 0.06572248 0.28250117 1\n C C5 1 -0.03273097 0.02754287 0.00157389 1\n C C6 1 0.83825772 0.58888854 0.50086062 1\n C C7 1 0.17646777 0.75805241 0.57238207 1\n C C8 1 0.20000633 0.36243254 0.17483822 1\n C C9 1 1.11767782 0.04927831 0.48595103 1\n C C10 1 0.98245063 0.60789636 0.28994124 1\n C C11 1 0.90440478 0.74390629 -0.22049725 1\n C C12 1 0.80436998 0.34255916 0.04724633 1\n C C13 1 0.00792196 0.48195276 0.86226365 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05782000\n_cell_length_b 4.78850000\n_cell_length_c 4.42657000\n_cell_angle_alpha 99.65836000\n_cell_angle_beta 102.13584000\n_cell_angle_gamma 130.64469000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.83697352\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33567318 0.14029721 0.45344149 1\n C C1 1 0.95589012 0.75907875 0.45327518 1\n C C2 1 0.91449760 0.41367236 0.76190885 1\n C C3 1 -0.10771843 0.20079679 0.95518073 1\n C C4 1 0.29715866 0.79434505 0.76148117 1\n C C5 1 0.35877977 0.35327434 0.26004608 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.02141000\n_cell_length_b 4.04744000\n_cell_length_c 3.84537000\n_cell_angle_alpha 75.93583000\n_cell_angle_beta 103.77854000\n_cell_angle_gamma 105.82593000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.41195941\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13198829 0.17837255 0.34639368 1\n C C1 1 0.63199189 0.17836344 0.84639183 1\n C C2 1 0.46370971 0.34708375 0.51570278 1\n C C3 1 0.96370611 0.34709285 0.01570462 1\n C C4 1 0.13198829 0.67837255 0.84639368 1\n C C5 1 0.46370971 0.84708375 0.01570278 1\n C C6 1 0.96370611 0.84709285 0.51570462 1\n C C7 1 0.63199189 0.67836344 0.34639183 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48394000\n_cell_length_b 2.53190000\n_cell_length_c 7.91334000\n_cell_angle_alpha 80.80462000\n_cell_angle_beta 80.92804000\n_cell_angle_gamma 89.97963000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.49783791\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37106893 0.29653358 0.24159884 1\n C C1 1 0.42986801 0.85355594 0.12696658 1\n C C2 1 0.12731010 0.55445855 0.72909370 1\n C C3 1 0.17993311 0.10645260 0.62456879 1\n C C4 1 0.81768276 0.24406623 0.34615145 1\n C C5 1 1.04035576 0.46398536 0.90694001 1\n C C6 1 0.73252644 0.16014288 0.51722634 1\n C C7 1 0.98811709 -0.08749033 1.00967819 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28787000\n_cell_length_b 3.29223000\n_cell_length_c 7.10415000\n_cell_angle_alpha 101.53481000\n_cell_angle_beta 100.71041000\n_cell_angle_gamma 99.62996000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.34408444\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11018395 0.75813079 0.08774106 1\n C C1 1 -0.10278632 0.08799772 0.20405921 1\n C C2 1 0.25085394 0.93271979 0.71679221 1\n C C3 1 0.92327514 0.60517409 0.71679920 1\n C C4 1 0.65875165 0.36367951 0.52174084 1\n C C5 1 0.51967987 0.18723644 0.89227682 1\n C C6 1 0.47291465 0.11919040 0.08750170 1\n C C7 1 0.26047317 0.45095782 0.20377020 1\n C C8 1 0.84500396 0.51677208 0.89262495 1\n C C9 1 0.29658450 1.00206014 0.52164720 1\n C C10 1 0.51208938 0.67173841 0.40573210 1\n C C11 1 0.87425721 1.03514181 0.40577410 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43176000\n_cell_length_b 4.20454000\n_cell_length_c 6.00341000\n_cell_angle_alpha 70.76995000\n_cell_angle_beta 97.85158000\n_cell_angle_gamma 89.87704000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.34031750\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64085432 0.76273242 0.30010216 1\n C C1 1 0.80515892 0.22699957 0.79733802 1\n C C2 1 0.14085432 0.26273242 0.30010216 1\n C C3 1 0.14057732 0.59566225 0.29967323 1\n C C4 1 0.64057732 0.09566225 0.29967323 1\n C C5 1 0.30488192 1.05992940 0.79690909 1\n C C6 1 0.80488192 0.55992940 0.79690909 1\n C C7 1 0.30515892 0.72699957 0.79733802 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.61759000\n_cell_length_b 4.21301000\n_cell_length_c 5.97097000\n_cell_angle_alpha 115.74595000\n_cell_angle_beta 97.30885000\n_cell_angle_gamma 90.50448000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.67734846\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22125504 0.46934245 0.85697735 1\n C C1 1 1.23603139 0.13088352 1.11298739 1\n C C2 1 0.89017163 0.32155764 0.60688395 1\n C C3 1 0.42034877 0.16961531 0.89730789 1\n C C4 1 0.75101507 0.31737473 0.14772451 1\n C C5 1 0.86322484 0.92719413 0.51756563 1\n C C6 1 0.40511594 0.50843842 0.64198961 1\n C C7 1 0.77575852 0.71167853 0.23672720 1\n C C8 1 0.23200576 0.77421215 1.11091170 1\n C C9 1 0.40801735 0.86476933 0.64366996 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50447000\n_cell_length_b 4.94926000\n_cell_length_c 6.71946000\n_cell_angle_alpha 82.44125000\n_cell_angle_beta 103.17646000\n_cell_angle_gamma 89.09255000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.30141375\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60965796 0.67121408 0.65398110 1\n C C1 1 0.79565430 0.38997400 0.08076144 1\n C C2 1 -0.00004092 0.04586081 0.40824042 1\n C C3 1 0.43206840 0.70715187 0.27128536 1\n C C4 1 0.15549561 0.69840706 0.78825193 1\n C C5 1 0.65644044 0.37356692 0.60240827 1\n C C6 1 0.93605346 0.53718648 0.27263402 1\n C C7 1 0.07008792 0.32714709 0.47554114 1\n C C8 1 0.33735904 0.95057999 0.10793097 1\n C C9 1 0.20449047 0.43594637 0.94360376 1\n C C10 1 0.98884458 0.21883583 0.80278436 1\n C C11 1 0.52441970 0.86892181 0.45658708 1\n C C12 1 0.16016385 -0.04196037 0.88079610 1\n C C13 1 0.86728650 0.09512427 0.17145025 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48789000\n_cell_length_b 3.51713000\n_cell_length_c 4.30521000\n_cell_angle_alpha 114.10002000\n_cell_angle_beta 106.78493000\n_cell_angle_gamma 90.02262000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61974206\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05709466 0.87032301 0.65635414 1\n C C1 1 0.55708061 0.62079806 0.65659523 1\n C C2 1 0.72376133 0.53698968 -0.01031253 1\n C C3 1 0.22374727 0.28746472 0.98992856 1\n C C4 1 0.39042799 0.20365634 0.32302080 1\n C C5 1 0.89041394 -0.04586861 0.32326190 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.72283000\n_cell_length_b 3.26520000\n_cell_length_c 4.73696000\n_cell_angle_alpha 90.02838000\n_cell_angle_beta 107.54442000\n_cell_angle_gamma 133.53024000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.15480245\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47451700 0.62121792 0.40172793 1\n C C1 1 0.47446121 0.18922422 0.90156098 1\n C C2 1 0.00600255 0.22030376 0.26668304 1\n C C3 1 0.66929541 0.66404246 0.73571188 1\n C C4 1 0.66946971 0.53586770 0.23552409 1\n C C5 1 0.81144915 0.17759426 0.93270848 1\n C C6 1 0.81097071 0.30560461 0.43281345 1\n C C7 1 1.00630107 0.65229196 0.76677166 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31878000\n_cell_length_b 3.51667000\n_cell_length_c 3.51679000\n_cell_angle_alpha 60.04324000\n_cell_angle_beta 89.98281000\n_cell_angle_gamma 89.99613000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.56118222\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08704987 0.42346386 0.88105488 1\n C C1 1 -0.08085421 0.65511232 0.11298538 1\n C C2 1 0.58696541 -0.04020869 0.80848712 1\n C C3 1 0.41899762 0.72782607 0.57701697 1\n C C4 1 0.75343211 0.42317962 0.57675612 1\n C C5 1 0.25345920 0.95998202 0.11318194 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48248000\n_cell_length_b 3.74483000\n_cell_length_c 3.84690000\n_cell_angle_alpha 89.94589000\n_cell_angle_beta 89.96871000\n_cell_angle_gamma 89.99659000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.76255209\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12528174 0.34465028 0.42059273 1\n C C1 1 0.12528346 0.61116839 0.71556513 1\n C C2 1 0.62528000 0.84864622 0.12513883 1\n C C3 1 0.12529526 0.61152727 0.12535235 1\n C C4 1 0.62528849 0.11529950 0.42030812 1\n C C5 1 0.62526374 0.84828884 0.71533495 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.59326000\n_cell_length_b 2.49062000\n_cell_length_c 4.35357000\n_cell_angle_alpha 73.37476000\n_cell_angle_beta 84.29970000\n_cell_angle_gamma 69.68672000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01147827\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12098693 0.39072898 0.98730309 1\n C C1 1 0.75021502 0.47363122 0.19306765 1\n C C2 1 1.12106363 0.99732787 0.77499777 1\n C C3 1 0.75022940 0.28606419 0.56898972 1\n C C4 1 0.49055148 0.91577862 0.56910208 1\n C C5 1 0.49027485 0.10466732 0.19306340 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30740000\n_cell_length_b 4.27990000\n_cell_length_c 5.41943000\n_cell_angle_alpha 78.97086000\n_cell_angle_beta 78.54182000\n_cell_angle_gamma 73.84143000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.45690998\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29832389 0.20816916 0.18674347 1\n C C1 1 0.38194025 0.69551340 -0.09701750 1\n C C2 1 0.00947930 0.26913358 0.98738863 1\n C C3 1 0.65132606 0.91244758 0.26997400 1\n C C4 1 0.56956713 0.44885968 0.10396300 1\n C C5 1 0.15152996 0.52143450 0.77325676 1\n C C6 1 1.00621288 0.30723487 0.41712400 1\n C C7 1 0.76165358 0.83027437 0.76921135 1\n C C8 1 0.61223630 0.56679733 0.33886013 1\n C C9 1 0.95912637 0.93715511 -0.01767754 1\n C C10 1 0.32705843 0.38126337 0.54003184 1\n C C11 1 0.71787325 0.06717273 0.52451026 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49574000\n_cell_length_b 4.66424000\n_cell_length_c 8.31695000\n_cell_angle_alpha 96.13824000\n_cell_angle_beta 77.31011000\n_cell_angle_gamma 76.61996000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.60845141\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13692919 0.62469363 0.31015511 1\n C C1 1 0.33411377 0.90321298 0.54304629 1\n C C2 1 0.28444948 0.17031407 0.45323515 1\n C C3 1 0.39338111 0.35060264 0.18811803 1\n C C4 1 0.09967566 0.88242602 0.21024445 1\n C C5 1 0.33137638 0.73252136 0.02168968 1\n C C6 1 0.47487602 0.45355040 0.69808832 1\n C C7 1 0.46404246 0.17647272 0.78230971 1\n C C8 1 0.55589898 0.39844724 0.03430758 1\n C C9 1 0.47889669 0.07160454 0.26000508 1\n C C10 1 0.56169469 0.62599729 0.41735881 1\n C C11 1 0.75188163 0.90414291 0.64982860 1\n C C12 1 -0.14628016 0.15012194 0.89161894 1\n C C13 1 0.65932425 0.35589212 0.50580802 1\n C C14 1 0.88159856 0.64635225 0.74537478 1\n C C15 1 0.85362448 0.81729918 0.92831893 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48991000\n_cell_length_b 7.16969000\n_cell_length_c 4.87414000\n_cell_angle_alpha 87.05128000\n_cell_angle_beta 90.01510000\n_cell_angle_gamma 100.03456000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.56473719\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68138480 0.42220114 0.81054266 1\n C C1 1 0.38997942 0.84397257 0.32711699 1\n C C2 1 0.24402606 0.54914433 0.20740342 1\n C C3 1 1.04331176 0.14998143 0.27977015 1\n C C4 1 0.34461882 0.74716941 1.05010642 1\n C C5 1 0.85902538 0.77502062 0.87242571 1\n C C6 1 0.68941122 0.43869631 0.14506316 1\n C C7 1 0.29296169 0.64750855 0.48494757 1\n C C8 1 0.94582742 0.95371871 0.39813095 1\n C C9 1 1.12771214 0.31615568 0.76312479 1\n C C10 1 0.77990807 0.61947931 0.66143282 1\n C C11 1 -0.04831417 -0.03880459 0.71335916 1\n C C12 1 0.59088413 0.24378786 0.26041212 1\n C C13 1 0.03520975 0.12957215 0.80915728 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36475000\n_cell_length_b 4.56659000\n_cell_length_c 8.42902000\n_cell_angle_alpha 71.44469000\n_cell_angle_beta 74.15988000\n_cell_angle_gamma 68.31138000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 112.30244328\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10552684 0.75025583 0.67794978 1\n C C1 1 1.09378740 0.82659802 0.09343481 1\n C C2 1 0.39338388 0.89014989 0.91694320 1\n C C3 1 0.68504954 0.89146983 0.45766683 1\n C C4 1 0.13429660 0.69026756 0.39784934 1\n C C5 1 0.38369610 0.77002571 0.22475659 1\n C C6 1 0.76184823 0.31847154 0.56576302 1\n C C7 1 1.04960560 0.45820349 0.80457446 1\n C C8 1 0.67994345 0.98991579 0.61132594 1\n C C9 1 0.88888893 0.25876982 0.73844644 1\n C C10 1 0.74481076 0.55800582 -0.04233622 1\n C C11 1 0.02193290 0.51854863 0.08422653 1\n C C12 1 0.61772974 0.03249444 0.16499494 1\n C C13 1 0.47574179 0.21839462 0.87131804 1\n C C14 1 0.26602821 0.94963307 0.74425779 1\n C C15 1 0.53742590 0.17618387 0.31767592 1\n C C16 1 0.47114751 0.31712859 0.02476336 1\n C C17 1 0.41127713 0.65063595 0.52469173 1\n C C18 1 0.06159018 0.38216789 0.38915661 1\n C C19 1 0.77154941 0.43883453 0.25747451 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45837000\n_cell_length_b 6.69582000\n_cell_length_c 6.85293000\n_cell_angle_alpha 84.63038000\n_cell_angle_beta 69.11249000\n_cell_angle_gamma 79.40864000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 103.54758030\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28775089 0.04312420 0.44819856 1\n C C1 1 0.09356187 0.53760490 0.39883739 1\n C C2 1 0.92436350 0.73271549 0.47121303 1\n C C3 1 0.35924299 0.83432092 0.48484230 1\n C C4 1 0.78822884 0.12542769 0.90285632 1\n C C5 1 0.69037817 0.45246409 0.34436069 1\n C C6 1 0.46902219 0.80044889 -0.11699029 1\n C C7 1 0.79967304 0.13054121 0.39124111 1\n C C8 1 0.03496956 0.68595781 -0.12549968 1\n C C9 1 0.36750229 0.00865108 0.88200656 1\n C C10 1 0.90474261 0.27504103 0.21302016 1\n C C11 1 0.53514428 0.25958822 1.08972469 1\n C C12 1 0.16368740 0.48015982 0.84877720 1\n C C13 1 0.69670727 0.36316855 0.87497226 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.37593000\n_cell_length_b 4.03731000\n_cell_length_c 5.78185000\n_cell_angle_alpha 52.00742000\n_cell_angle_beta 54.24842000\n_cell_angle_gamma 50.56920000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.43430914\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73509384 0.67726363 0.82818578 1\n C C1 1 0.86824189 0.74394776 0.22760234 1\n C C2 1 0.06846664 0.34375478 0.82774794 1\n C C3 1 0.26829999 0.94370886 0.42715086 1\n C C4 1 0.53489348 0.07724903 0.22746677 1\n C C5 1 0.46835943 0.54395515 0.02794359 1\n C C6 1 0.13497858 0.87730117 1.02815900 1\n C C7 1 -0.06504671 0.27721708 0.42732167 1\n C C8 1 0.33506322 0.47721727 0.62773213 1\n C C9 1 0.66840425 0.14362056 0.62728912 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49455000\n_cell_length_b 3.42221000\n_cell_length_c 7.21466000\n_cell_angle_alpha 69.62733000\n_cell_angle_beta 99.98014000\n_cell_angle_gamma 68.62262000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.48642528\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50275651 0.91001225 0.55520183 1\n C C1 1 0.81003947 0.18901681 0.44970635 1\n C C2 1 0.53298713 0.69056351 0.39484134 1\n C C3 1 0.73634841 0.67595592 0.78911935 1\n C C4 1 -0.15936532 -0.03047699 0.28920536 1\n C C5 1 0.25629306 0.74316139 0.89494210 1\n C C6 1 0.60754445 0.20299577 1.05529365 1\n C C7 1 1.08831689 0.13520705 0.94987123 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48375000\n_cell_length_b 3.82175000\n_cell_length_c 5.22366000\n_cell_angle_alpha 81.25713000\n_cell_angle_beta 89.84590000\n_cell_angle_gamma 108.92350000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.28775977\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30332009 0.86017498 0.14669414 1\n C C1 1 0.42729283 0.10228147 0.59650611 1\n C C2 1 0.08954420 0.43200239 0.20467369 1\n C C3 1 0.05379299 0.35777653 0.92529650 1\n C C4 1 0.60262206 0.45181082 0.76021983 1\n C C5 1 0.47772818 0.20977544 0.30972765 1\n C C6 1 0.81497824 0.87937451 0.70247921 1\n C C7 1 0.85224182 -0.04564935 -0.01799643 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.68412000\n_cell_length_b 5.29131000\n_cell_length_c 4.32893000\n_cell_angle_alpha 58.09564000\n_cell_angle_beta 86.06267000\n_cell_angle_gamma 71.25370000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.56657920\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80948866 0.69908660 0.59562719 1\n C C1 1 1.01548863 0.61563910 0.88664961 1\n C C2 1 0.01605450 1.09100995 0.40976064 1\n C C3 1 0.35265786 -0.14698494 -0.01610452 1\n C C4 1 0.80840551 0.00797368 0.28854951 1\n C C5 1 0.31859996 0.35493060 0.45206992 1\n C C6 1 1.10591683 0.35421212 0.23966697 1\n C C7 1 0.13995097 0.85231517 0.77140082 1\n C C8 1 0.44218381 0.11644681 0.81379214 1\n C C9 1 0.64904463 0.50781509 0.62841934 1\n C C10 1 0.64967371 0.19939274 0.93534213 1\n C C11 1 0.44321972 0.59144009 0.33703736 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51388000\n_cell_length_b 5.54526000\n_cell_length_c 6.65051000\n_cell_angle_alpha 51.64727000\n_cell_angle_beta 75.70598000\n_cell_angle_gamma 90.47236000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.84382808\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28869385 0.60454227 0.83385847 1\n C C1 1 0.64484111 0.60664122 0.16286787 1\n C C2 1 1.03245283 0.59074561 0.49350448 1\n C C3 1 0.34631186 0.15781786 0.24954273 1\n C C4 1 1.41682738 0.47461419 0.67127235 1\n C C5 1 0.30345319 0.09564556 0.84441047 1\n C C6 1 0.67285591 0.48822413 0.01140954 1\n C C7 1 -0.31386593 0.94827732 0.01875090 1\n C C8 1 0.05968349 0.47244849 0.34201759 1\n C C9 1 0.40195761 0.98291055 0.66135684 1\n C C10 1 1.01936968 0.13095090 0.48730807 1\n C C11 1 0.35942532 0.92139710 0.25660990 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54830000\n_cell_length_b 3.65205000\n_cell_length_c 5.53666000\n_cell_angle_alpha 85.45195000\n_cell_angle_beta 76.89193000\n_cell_angle_gamma 69.56632000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.02668514\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57767495 0.14450116 0.02606566 1\n C C1 1 0.69384370 0.33442682 0.60636380 1\n C C2 1 0.09845271 0.77562638 0.35753381 1\n C C3 1 0.84769855 0.77553070 0.85444351 1\n C C4 1 0.47734576 0.51509877 0.85461702 1\n C C5 1 0.99911540 0.14458678 0.18556693 1\n C C6 1 0.72831983 0.51512771 0.35751737 1\n C C7 1 0.88202209 0.95719299 0.60628540 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45390000\n_cell_length_b 6.17731000\n_cell_length_c 4.84040000\n_cell_angle_alpha 59.99086000\n_cell_angle_beta 59.53115000\n_cell_angle_gamma 53.31877000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.60875551\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74214130 0.27381573 -0.05664826 1\n C C1 1 0.22074129 0.80770158 0.66290254 1\n C C2 1 0.06841420 0.93302288 0.12674785 1\n C C3 1 0.60631598 0.74869911 0.86632487 1\n C C4 1 0.65580082 0.35127777 0.41593382 1\n C C5 1 0.93416121 0.40803620 0.05021706 1\n C C6 1 0.02327084 0.33071090 0.57767410 1\n C C7 1 0.45393285 0.87413263 0.33000123 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.74996000\n_cell_length_b 3.47833000\n_cell_length_c 6.21600000\n_cell_angle_alpha 117.86423000\n_cell_angle_beta 115.17071000\n_cell_angle_gamma 99.18020000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.00309714\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62667403 0.28098155 -0.00985985 1\n C C1 1 0.42674618 0.52265263 0.60941918 1\n C C2 1 0.18948747 0.03827574 0.37154688 1\n C C3 1 0.88954786 0.82057111 0.75787358 1\n C C4 1 0.35532280 0.74159397 0.22518724 1\n C C5 1 0.72688810 0.74032319 0.22333169 1\n C C6 1 0.26105787 0.81926656 0.75621219 1\n C C7 1 0.98931830 0.28033534 -0.00943590 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48176000\n_cell_length_b 3.68889000\n_cell_length_c 4.21960000\n_cell_angle_alpha 104.99753000\n_cell_angle_beta 89.97295000\n_cell_angle_gamma 109.63881000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98452993\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12346954 0.58994311 0.87842951 1\n C C1 1 0.44671236 0.23358600 0.17667414 1\n C C2 1 0.66770158 0.67954196 0.38324803 1\n C C3 1 1.24558668 0.83621245 0.25274757 1\n C C4 1 -0.07371040 0.19294151 0.95435639 1\n C C5 1 0.70229333 0.74720488 0.74795856 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47583000\n_cell_length_b 6.46401000\n_cell_length_c 6.65544000\n_cell_angle_alpha 83.62427000\n_cell_angle_beta 79.29613000\n_cell_angle_gamma 78.94493000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 102.40213929\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14487344 0.06952484 0.95512856 1\n C C1 1 0.50450540 0.74415513 0.56014928 1\n C C2 1 0.27471002 0.40623544 0.36444359 1\n C C3 1 0.37546387 0.97059512 0.58360234 1\n C C4 1 0.26084170 0.82128057 -0.02370556 1\n C C5 1 0.68267982 0.28078529 0.66747939 1\n C C6 1 0.61703594 0.19448323 0.88645917 1\n C C7 1 0.02109395 0.08521814 0.19371025 1\n C C8 1 0.12579008 0.84200990 0.22435563 1\n C C9 1 0.62570372 0.74193894 0.32386779 1\n C C10 1 0.88800304 0.49254167 0.04486621 1\n C C11 1 0.00531343 0.64154577 0.66232929 1\n C C12 1 1.15305905 0.40412643 0.60224849 1\n C C13 1 0.76116427 0.51925892 0.27789378 1\n C C14 1 0.43806988 0.21420517 0.23094514 1\n C C15 1 0.46118357 0.36124574 0.03035494 1\n C C16 1 -0.14422143 0.70001414 0.90798603 1\n C C17 1 0.82374023 0.07083166 0.58738117 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54541000\n_cell_length_b 2.46133000\n_cell_length_c 10.71468000\n_cell_angle_alpha 95.89219000\n_cell_angle_beta 99.80875000\n_cell_angle_gamma 90.16099000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.78360799\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65949254 0.47136525 0.05655675 1\n C C1 1 -0.09463981 1.05918776 0.25364462 1\n C C2 1 0.33979010 0.35563133 0.79408410 1\n C C3 1 1.03021553 1.13556575 0.39325022 1\n C C4 1 0.57489339 0.18271754 0.45649662 1\n C C5 1 0.82840284 0.53169442 0.18957609 1\n C C6 1 0.57561397 -0.05657618 -0.00820019 1\n C C7 1 0.41404050 0.88323494 0.85871424 1\n C C8 1 0.21763354 0.29155797 0.65470746 1\n C C9 1 0.67205020 0.26032772 0.59087968 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.12889000\n_cell_length_b 5.88252000\n_cell_length_c 3.61890000\n_cell_angle_alpha 99.87154000\n_cell_angle_beta 97.31720000\n_cell_angle_gamma 133.34631000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.84387508\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65579265 0.45545172 0.24082822 1\n C C1 1 0.65232638 0.95695520 0.30020326 1\n C C2 1 0.03750949 0.64618290 0.02714036 1\n C C3 1 0.03403852 0.14765887 0.08646250 1\n C C4 1 1.03732685 0.64619935 0.64531350 1\n C C5 1 0.65224291 0.95723366 0.68198867 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43000000\n_cell_length_b 2.42969000\n_cell_length_c 8.50169000\n_cell_angle_alpha 95.83540000\n_cell_angle_beta 98.11799000\n_cell_angle_gamma 59.99647000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.00496241\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06009278 0.64234721 1.03495215 1\n C C1 1 0.53984338 0.35555324 0.70154826 1\n C C2 1 0.39317761 0.97622280 0.03500347 1\n C C3 1 0.53769723 0.03710067 0.36711991 1\n C C4 1 0.20638216 0.02277197 0.70196593 1\n C C5 1 0.87159944 0.36972041 0.36738747 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46567000\n_cell_length_b 7.72610000\n_cell_length_c 7.59747000\n_cell_angle_alpha 125.29553000\n_cell_angle_beta 97.94179000\n_cell_angle_gamma 93.69654000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 115.11542131\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55851753 0.76004505 0.04144541 1\n C C1 1 0.73296398 0.40167068 0.23217080 1\n C C2 1 0.72880056 0.10213402 0.29252264 1\n C C3 1 0.19984331 0.28139772 0.19024744 1\n C C4 1 0.48801137 0.96566714 0.64294553 1\n C C5 1 0.31080514 0.90434989 0.40954112 1\n C C6 1 0.81345842 0.61379041 0.38514005 1\n C C7 1 0.97713533 0.62296656 0.93913817 1\n C C8 1 0.07973428 0.06269506 0.78295279 1\n C C9 1 0.27228234 0.23668450 0.36273022 1\n C C10 1 0.74778166 0.91399885 0.30463091 1\n C C11 1 0.36052607 0.73403505 0.45266500 1\n C C12 1 0.59261912 0.96296024 0.03332054 1\n C C13 1 0.09463255 0.04341476 -0.01809538 1\n C C14 1 0.26836717 0.30172760 0.87504953 1\n C C15 1 0.83998587 0.40831891 0.91081217 1\n C C16 1 0.35926970 0.43023419 0.58891434 1\n C C17 1 0.90311360 0.50828422 0.69600252 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47479000\n_cell_length_b 3.77974000\n_cell_length_c 9.70425000\n_cell_angle_alpha 66.64339000\n_cell_angle_beta 82.72594000\n_cell_angle_gamma 89.79134000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 82.55689681\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.13443704 0.34818193 0.86586268 1\n C C1 1 0.25821075 0.39304276 0.07740017 1\n C C2 1 0.13219177 0.62602134 0.32121743 1\n C C3 1 0.47212743 0.86790302 0.64390117 1\n C C4 1 0.92094823 0.16589535 0.75210276 1\n C C5 1 0.52879324 0.68421490 0.53025160 1\n C C6 1 0.66446676 0.56730671 0.25797256 1\n C C7 1 0.92454826 0.76276795 0.74359523 1\n C C8 1 0.46858724 0.27068639 0.65258494 1\n C C9 1 0.72503598 0.44960848 0.14114741 1\n C C10 1 0.32191140 0.31282604 0.95242867 1\n C C11 1 0.07055478 0.71638882 0.44393969 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43345000\n_cell_length_b 4.81697000\n_cell_length_c 4.22389000\n_cell_angle_alpha 90.61693000\n_cell_angle_beta 73.28816000\n_cell_angle_gamma 104.68997000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.76718105\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37970441 0.09483731 0.16753537 1\n C C1 1 0.23878350 0.34188142 0.69301503 1\n C C2 1 0.08127994 0.55433608 0.22104495 1\n C C3 1 0.32437290 0.81334658 0.99454874 1\n C C4 1 0.18365209 0.06597111 0.53205914 1\n C C5 1 1.02501864 0.27820499 0.06018578 1\n C C6 1 0.88354589 0.52527227 0.58586869 1\n C C7 1 0.94017392 0.80704913 0.75861810 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47136000\n_cell_length_b 7.18978000\n_cell_length_c 7.95199000\n_cell_angle_alpha 75.57466000\n_cell_angle_beta 98.93486000\n_cell_angle_gamma 80.12182000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 131.87563851\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19731122 0.58884978 0.36058335 1\n C C1 1 -0.11418392 0.47903072 0.63498967 1\n C C2 1 0.44083357 1.01154674 0.26184251 1\n C C3 1 0.79603572 0.46995112 0.44148391 1\n C C4 1 0.85290936 1.10190209 0.17596340 1\n C C5 1 0.14794979 0.43945042 0.11465107 1\n C C6 1 0.18766467 1.01108481 0.75482939 1\n C C7 1 0.35573291 0.80970573 -0.10693711 1\n C C8 1 -0.09173512 0.81877565 0.01009405 1\n C C9 1 1.07556465 0.63407504 0.16499031 1\n C C10 1 0.42125387 0.62117212 0.83814865 1\n C C11 1 0.58406129 0.85562766 0.39864625 1\n C C12 1 0.74932373 0.31688191 0.19213976 1\n C C13 1 0.46500308 0.17912041 0.48650507 1\n C C14 1 0.61021756 0.06255859 0.65177183 1\n C C15 1 0.16636413 0.75092122 0.46003563 1\n C C16 1 0.79199587 0.04783612 0.00278702 1\n C C17 1 0.04828782 0.34071613 0.81675354 1\n C C18 1 0.19703115 0.12824400 0.89211489 1\n C C19 1 1.02320251 0.49431731 0.91479292 1\n C C20 1 0.87338407 0.27521937 0.39953119 1\n C C21 1 0.32694757 0.60704376 0.64305518 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44376000\n_cell_length_b 4.24418000\n_cell_length_c 6.35930000\n_cell_angle_alpha 108.98325000\n_cell_angle_beta 78.94505000\n_cell_angle_gamma 73.24307000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.67426089\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95063894 0.18072538 0.53226934 1\n C C1 1 0.34092466 0.40950525 0.52183363 1\n C C2 1 0.09666187 0.27713680 0.14397411 1\n C C3 1 1.19592360 0.31294640 0.91001401 1\n C C4 1 0.22175850 0.84319046 0.32319566 1\n C C5 1 0.86189647 0.12839315 0.76282823 1\n C C6 1 0.43069180 0.46191666 0.29142506 1\n C C7 1 0.31038126 0.88664575 0.10098099 1\n C C8 1 1.06467470 0.74746298 0.73166151 1\n C C9 1 -0.02487051 0.70419048 0.95395866 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43176000\n_cell_length_b 5.66418000\n_cell_length_c 4.20304000\n_cell_angle_alpha 89.10987000\n_cell_angle_beta 89.88031000\n_cell_angle_gamma 96.16381000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.55032976\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11611256 0.41360103 0.70840477 1\n C C1 1 0.03351672 0.91424135 0.43735898 1\n C C2 1 1.11585899 0.41391467 1.04112330 1\n C C3 1 0.53326315 0.91455499 0.27007750 1\n C C4 1 0.61611256 0.41360103 0.20840477 1\n C C5 1 1.03326315 0.91455499 0.77007750 1\n C C6 1 0.61585899 0.41391467 0.54112330 1\n C C7 1 0.53351672 0.91424135 0.93735898 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51247000\n_cell_length_b 5.47732000\n_cell_length_c 4.62340000\n_cell_angle_alpha 111.72188000\n_cell_angle_beta 98.39804000\n_cell_angle_gamma 87.25695000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.47231705\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43817239 0.16025702 0.76507220 1\n C C1 1 -0.11000173 0.38593558 0.49771994 1\n C C2 1 0.82765115 0.60492257 0.05477979 1\n C C3 1 0.91566156 0.33201210 0.80694887 1\n C C4 1 0.36037113 0.68811361 0.26855796 1\n C C5 1 0.36485258 0.99300718 0.40458234 1\n C C6 1 0.60374383 0.74231405 0.83681852 1\n C C7 1 -0.17460450 0.09885052 0.28842080 1\n C C8 1 0.40358072 0.55387473 0.51219195 1\n C C9 1 0.61960635 -0.00034637 -0.04964137 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45923000\n_cell_length_b 5.81390000\n_cell_length_c 6.35169000\n_cell_angle_alpha 118.15191000\n_cell_angle_beta 78.86757000\n_cell_angle_gamma 115.00503000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.56395012\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01690984 0.29723982 0.31540448 1\n C C1 1 0.53547517 0.90330825 0.42949739 1\n C C2 1 0.53977271 0.41062677 0.42947994 1\n C C3 1 -0.00539338 0.80564024 0.31498489 1\n C C4 1 0.60530366 0.09995034 0.68493690 1\n C C5 1 0.92674440 0.60895797 0.05951349 1\n C C6 1 0.12531615 0.69732625 0.83623380 1\n C C7 1 0.27476645 0.42823371 0.00237261 1\n C C8 1 0.53802599 0.53968080 0.69556993 1\n C C9 1 0.98851460 0.16886142 0.04928817 1\n C C10 1 0.25688610 0.28049012 0.74238677 1\n C C11 1 0.40160640 1.01108060 0.90814172 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48858000\n_cell_length_b 4.30555000\n_cell_length_c 4.30363000\n_cell_angle_alpha 99.57544000\n_cell_angle_beta 90.04079000\n_cell_angle_gamma 106.76164000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47987194\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76573312 0.40132705 0.61590604 1\n C C1 1 0.45281217 0.77627429 0.17905285 1\n C C2 1 0.51554576 0.90127503 0.86610979 1\n C C3 1 0.20292002 0.27627908 0.42883482 1\n C C4 1 0.70291937 0.27620430 0.92881815 1\n C C5 1 -0.04727978 0.77619256 0.67902683 1\n C C6 1 0.26580304 0.40135409 0.11591199 1\n C C7 1 0.01565191 0.90138619 0.36614093 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.57582000\n_cell_length_b 4.07751000\n_cell_length_c 6.63733000\n_cell_angle_alpha 118.55519000\n_cell_angle_beta 102.39306000\n_cell_angle_gamma 107.17180000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.55613136\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34192358 -0.13888571 -0.02241120 1\n C C1 1 0.69678142 -0.00660041 0.76007567 1\n C C2 1 0.77742586 0.70029810 0.39042376 1\n C C3 1 0.42130095 0.56717462 0.60748896 1\n C C4 1 0.66558200 0.19447478 -0.01016976 1\n C C5 1 0.90069970 0.62610984 0.18938684 1\n C C6 1 0.21878997 0.93508780 0.17841378 1\n C C7 1 0.20553915 0.48037509 0.73677559 1\n C C8 1 0.91257753 0.08065327 0.63091383 1\n C C9 1 0.45316124 0.36696454 0.37768064 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36189000\n_cell_length_b 4.50961000\n_cell_length_c 6.04734000\n_cell_angle_alpha 104.78889000\n_cell_angle_beta 92.79771000\n_cell_angle_gamma 97.73907000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.50628615\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25120859 0.82937099 0.22880380 1\n C C1 1 0.44324783 0.69372188 0.04116566 1\n C C2 1 0.60868772 1.16047123 0.88096808 1\n C C3 1 0.13289987 0.62422714 0.35474038 1\n C C4 1 0.78184641 0.62207895 0.70956348 1\n C C5 1 0.78383299 0.29396520 0.70719318 1\n C C6 1 0.94651842 0.76039924 0.54528885 1\n C C7 1 0.61190600 0.83270723 0.87847620 1\n C C8 1 0.14498841 0.10694111 0.33762065 1\n C C9 1 0.44027706 0.37361584 0.04708432 1\n C C10 1 0.24314818 0.34763096 0.24875488 1\n C C11 1 0.94968743 0.08036844 0.53999432 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48607000\n_cell_length_b 4.14632000\n_cell_length_c 6.67718000\n_cell_angle_alpha 78.61966000\n_cell_angle_beta 89.98733000\n_cell_angle_gamma 90.00287000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.47540407\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34206560 0.55305211 0.68460588 1\n C C1 1 0.84233906 0.79843734 1.06790654 1\n C C2 1 -0.15770761 0.49430031 0.37986176 1\n C C3 1 0.34234558 0.00123282 0.36166695 1\n C C4 1 0.34232154 0.36865241 0.29378308 1\n C C5 1 0.84143117 1.07079939 0.68758789 1\n C C6 1 0.34204407 0.34935962 0.91143320 1\n C C7 1 0.34151092 0.92076172 0.61556031 1\n C C8 1 0.34228050 0.57162747 0.06837876 1\n C C9 1 -0.15812347 0.42536902 0.59994114 1\n C C10 1 0.84238622 0.84954993 0.29154470 1\n C C11 1 0.84188072 0.12194726 0.91217130 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.67998000\n_cell_length_b 4.26451000\n_cell_length_c 5.48346000\n_cell_angle_alpha 57.58435000\n_cell_angle_beta 61.37859000\n_cell_angle_gamma 58.05081000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18852094\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66313531 0.07533484 0.85591188 1\n C C1 1 0.50645220 0.92132368 0.16607168 1\n C C2 1 0.45017059 0.47983261 0.66427279 1\n C C3 1 0.10449767 0.13387857 0.35685777 1\n C C4 1 0.71939659 0.51677651 0.35749501 1\n C C5 1 1.06540713 -0.13701180 0.66489495 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46343000\n_cell_length_b 3.38834000\n_cell_length_c 5.83169000\n_cell_angle_alpha 78.56572000\n_cell_angle_beta 65.00861000\n_cell_angle_gamma 68.70832000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.04984187\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70738354 0.69366992 0.21620713 1\n C C1 1 0.94764006 0.76260362 -0.05893679 1\n C C2 1 0.17484904 0.50761737 0.34214861 1\n C C3 1 0.32848122 0.05514925 0.41398447 1\n C C4 1 0.55495412 0.79953095 0.81503143 1\n C C5 1 0.79582343 0.86874709 0.53984654 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38932000\n_cell_length_b 4.78471000\n_cell_length_c 4.66932000\n_cell_angle_alpha 113.32842000\n_cell_angle_beta 119.65607000\n_cell_angle_gamma 91.88905000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.88442317\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43551344 0.56671048 1.09085278 1\n C C1 1 0.12129180 0.24953902 0.45792346 1\n C C2 1 0.41116553 0.54161678 0.58836510 1\n C C3 1 0.59627690 0.72775347 0.96218691 1\n C C4 1 0.12689701 0.25554357 0.77568437 1\n C C5 1 0.88669833 0.01964325 0.09243283 1\n C C6 1 0.57232215 0.70185500 0.45942133 1\n C C7 1 -0.11911016 1.01388723 0.77465242 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44969000\n_cell_length_b 5.72839000\n_cell_length_c 5.22004000\n_cell_angle_alpha 120.72669000\n_cell_angle_beta 90.02480000\n_cell_angle_gamma 90.02152000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.96816699\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96496123 0.21098598 -0.00973013 1\n C C1 1 0.46559751 0.82958892 0.27391413 1\n C C2 1 0.96503241 0.32047685 0.79072211 1\n C C3 1 0.46499840 0.37403487 0.70242956 1\n C C4 1 -0.03455172 0.66478742 0.56507770 1\n C C5 1 0.96523693 -0.10220680 0.88941418 1\n C C6 1 -0.03443764 0.77804898 0.36424314 1\n C C7 1 0.46516456 0.25434171 0.17752522 1\n C C8 1 0.46544702 0.94080875 1.07584840 1\n C C9 1 0.46512630 0.48723661 0.50185948 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43651000\n_cell_length_b 5.88557000\n_cell_length_c 7.47554000\n_cell_angle_alpha 99.82004000\n_cell_angle_beta 96.77182000\n_cell_angle_gamma 100.18163000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 102.74821856\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06255503 0.03459251 0.86116682 1\n C C1 1 0.73266820 0.64979361 0.99317193 1\n C C2 1 0.43205674 0.75889833 0.60293841 1\n C C3 1 0.02110129 0.29543672 0.86225231 1\n C C4 1 0.20447493 0.67681988 0.87781292 1\n C C5 1 0.45130138 0.49524724 0.61164800 1\n C C6 1 0.90615681 -0.15259871 0.34165905 1\n C C7 1 0.00145552 0.46006896 0.72469121 1\n C C8 1 0.30874248 0.36860618 0.41918646 1\n C C9 1 0.88498371 0.85247022 0.14845412 1\n C C10 1 0.61132707 0.22689495 1.12933210 1\n C C11 1 0.60905220 0.38210067 0.98291330 1\n C C12 1 0.35809434 0.88951177 0.79053867 1\n C C13 1 -0.24964040 0.32935091 0.32741855 1\n C C14 1 0.43808535 0.83449654 0.43279647 1\n C C15 1 1.02296050 0.07195331 0.07588857 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47570000\n_cell_length_b 4.18346000\n_cell_length_c 4.79419000\n_cell_angle_alpha 64.11018000\n_cell_angle_beta 90.00177000\n_cell_angle_gamma 90.00014000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.66994342\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91668702 0.72131855 0.71392384 1\n C C1 1 0.41682510 0.96588375 0.22542508 1\n C C2 1 0.41672759 0.66905640 0.55886522 1\n C C3 1 0.91689441 0.91361120 1.07036512 1\n C C4 1 0.41705914 0.29894016 0.55948841 1\n C C5 1 0.91663632 0.54228414 0.07065741 1\n C C6 1 0.41671708 0.33488726 0.22596713 1\n C C7 1 -0.08287286 0.09103804 0.71446319 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.91964000\n_cell_length_b 3.63887000\n_cell_length_c 4.81871000\n_cell_angle_alpha 112.21548000\n_cell_angle_beta 85.28348000\n_cell_angle_gamma 110.69384000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.25871119\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76075712 0.15634419 0.33202701 1\n C C1 1 0.76369562 0.37098267 0.14058462 1\n C C2 1 0.76421994 0.21735407 0.83166487 1\n C C3 1 0.76634814 0.43154251 0.64011034 1\n C C4 1 0.76495503 0.77718655 0.33252204 1\n C C5 1 -0.23659646 0.81136362 0.63989832 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.57064000\n_cell_length_b 4.49066000\n_cell_length_c 5.75146000\n_cell_angle_alpha 76.80847000\n_cell_angle_beta 81.78779000\n_cell_angle_gamma 75.63325000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.35843499\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11926245 0.51848278 0.76983526 1\n C C1 1 0.96747969 0.62896177 0.14682177 1\n C C2 1 0.01283720 0.41575081 0.57237652 1\n C C3 1 0.88748573 0.66424936 0.37818022 1\n C C4 1 0.89643922 0.90388127 0.98169727 1\n C C5 1 0.70567496 0.16627333 0.10557109 1\n C C6 1 0.11075472 1.08536131 0.52495062 1\n C C7 1 0.13678693 0.36001930 1.03225394 1\n C C8 1 1.05638185 0.85064109 0.75222710 1\n C C9 1 0.69630753 1.01213617 0.38235120 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43221000\n_cell_length_b 4.86087000\n_cell_length_c 6.11628000\n_cell_angle_alpha 67.70534000\n_cell_angle_beta 80.70909000\n_cell_angle_gamma 59.81146000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.79225101\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47409646 0.06569347 0.28672010 1\n C C1 1 0.47409646 0.56569347 0.28672010 1\n C C2 1 0.14043506 0.89867963 0.28679153 1\n C C3 1 0.88213536 0.95408587 0.78705573 1\n C C4 1 1.14043506 0.39867963 0.28679153 1\n C C5 1 0.21579676 0.62109972 0.78698430 1\n C C6 1 0.88213536 0.45408587 0.78705573 1\n C C7 1 0.21579676 0.12109972 0.78698430 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50463000\n_cell_length_b 7.90689000\n_cell_length_c 5.38018000\n_cell_angle_alpha 109.75378000\n_cell_angle_beta 90.00509000\n_cell_angle_gamma 89.99739000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 100.27822595\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46339506 0.67452014 0.87108767 1\n C C1 1 -0.03624208 -0.09106507 0.22276105 1\n C C2 1 0.96389902 0.41384774 0.10603672 1\n C C3 1 0.46379326 0.79863552 0.69389580 1\n C C4 1 0.46366957 0.37696818 0.49870488 1\n C C5 1 0.96368225 0.41579235 0.37944085 1\n C C6 1 -0.03620721 0.08456136 0.35406828 1\n C C7 1 0.46388595 0.37550388 0.94774233 1\n C C8 1 0.46346846 0.49556061 0.78331949 1\n C C9 1 0.96380703 0.58660120 0.32600433 1\n C C10 1 0.96382762 0.90828029 0.75232708 1\n C C11 1 0.46400840 0.17772170 0.77407877 1\n C C12 1 0.46372266 0.79939836 0.17012225 1\n C C13 1 0.46381311 0.17822321 0.47073848 1\n C C14 1 0.46378110 0.69277736 0.37954020 1\n C C15 1 0.96398890 1.08396637 0.79708961 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44185000\n_cell_length_b 4.53897000\n_cell_length_c 6.69269000\n_cell_angle_alpha 119.67556000\n_cell_angle_beta 111.41486000\n_cell_angle_gamma 90.03446000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.47203023\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14162940 0.23859992 0.72993179 1\n C C1 1 0.77805681 0.47002209 0.86637961 1\n C C2 1 0.12926566 0.85973322 0.71651931 1\n C C3 1 0.20005170 0.46197152 0.28383673 1\n C C4 1 0.05831216 0.62808782 0.14632015 1\n C C5 1 0.21766143 -0.00358878 0.30436280 1\n C C6 1 0.88046639 0.18484159 0.46857760 1\n C C7 1 0.87026469 0.52906184 0.45620208 1\n C C8 1 0.03369307 0.09213470 0.11944994 1\n C C9 1 0.76379600 0.82699709 0.85173800 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48266000\n_cell_length_b 4.26843000\n_cell_length_c 6.07414000\n_cell_angle_alpha 62.22895000\n_cell_angle_beta 90.00349000\n_cell_angle_gamma 90.00184000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.95389463\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21503434 0.80112314 0.65347429 1\n C C1 1 0.71540192 0.68058057 0.11531046 1\n C C2 1 0.71532593 0.38237497 1.04773450 1\n C C3 1 0.21547988 0.91117276 0.00458710 1\n C C4 1 0.71517834 0.63585266 0.38125987 1\n C C5 1 0.71503242 0.57020081 0.76446288 1\n C C6 1 0.21506764 0.09936604 0.72115642 1\n C C7 1 0.71509532 0.32639688 0.64071285 1\n C C8 1 1.21535914 0.15509036 1.12835366 1\n C C9 1 0.21522188 0.84593491 0.38754886 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52918000\n_cell_length_b 4.71337000\n_cell_length_c 8.25281000\n_cell_angle_alpha 82.60348000\n_cell_angle_beta 78.06127000\n_cell_angle_gamma 77.40589000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.57643415\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02939563 0.83615397 0.15837042 1\n C C1 1 0.36075893 0.63525190 0.80829581 1\n C C2 1 0.01393943 0.60531676 0.29704131 1\n C C3 1 0.86945389 0.28444537 0.01132614 1\n C C4 1 0.66324835 -0.04064167 0.51926310 1\n C C5 1 0.46804694 0.12909785 -0.04344138 1\n C C6 1 0.90901793 0.67258141 0.45265819 1\n C C7 1 1.01855270 0.41738474 0.57261743 1\n C C8 1 0.79315688 0.17675059 0.19643669 1\n C C9 1 0.78273367 0.59731568 0.92502857 1\n C C10 1 0.13859985 0.14731091 0.47029622 1\n C C11 1 0.47259096 -0.09364294 0.70649770 1\n C C12 1 0.19200470 0.27284849 0.28543718 1\n C C13 1 0.51196585 0.12788303 0.78141413 1\n C C14 1 0.47440739 0.40666004 0.68520543 1\n C C15 1 0.55342487 0.82836266 0.04795745 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45961000\n_cell_length_b 6.16752000\n_cell_length_c 6.70102000\n_cell_angle_alpha 88.55508000\n_cell_angle_beta 86.27873000\n_cell_angle_gamma 88.96876000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 101.39220358\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46200470 0.84750879 0.30093695 1\n C C1 1 0.48664914 0.87809059 0.91871849 1\n C C2 1 0.46838049 0.74220705 0.09500643 1\n C C3 1 0.45580628 0.10001548 0.29745370 1\n C C4 1 0.44441078 0.42852760 0.54780208 1\n C C5 1 -0.02815628 0.45716646 0.88664165 1\n C C6 1 -0.04244165 0.51651525 0.43681823 1\n C C7 1 0.96806621 0.58973660 0.07719345 1\n C C8 1 0.98422875 0.20263130 0.19399214 1\n C C9 1 -0.14864199 1.08704633 0.63366670 1\n C C10 1 0.46444242 0.51574319 0.76164866 1\n C C11 1 0.95316011 0.76540931 0.41353427 1\n C C12 1 0.39158476 0.17982395 0.52774525 1\n C C13 1 0.97130050 0.43231078 0.23785669 1\n C C14 1 0.04888037 0.21704201 0.95725652 1\n C C15 1 -0.06280875 0.84421407 0.62070155 1\n C C16 1 0.60476676 0.10556413 0.87196129 1\n C C17 1 0.44328362 0.76096403 0.73258215 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45147000\n_cell_length_b 4.17959000\n_cell_length_c 8.93398000\n_cell_angle_alpha 110.76153000\n_cell_angle_beta 102.94500000\n_cell_angle_gamma 98.71165000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.69788111\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.20930880 0.31924251 0.23124330 1\n C C1 1 0.09607218 0.19631575 0.96582437 1\n C C2 1 1.03230639 0.24012081 0.80462267 1\n C C3 1 0.90855770 0.80419272 0.93462817 1\n C C4 1 0.21269471 0.68106347 0.66889654 1\n C C5 1 -0.03521010 0.61432249 0.40099101 1\n C C6 1 0.24024783 0.10170175 0.24206077 1\n C C7 1 0.76307577 0.89843673 0.65777008 1\n C C8 1 1.03789925 0.38542438 0.49906273 1\n C C9 1 0.73992078 0.38712828 0.07375198 1\n C C10 1 0.54604533 0.84081363 0.46666683 1\n C C11 1 0.97195581 0.76026684 0.09585416 1\n C C12 1 0.26484213 0.61368851 0.82683580 1\n C C13 1 0.45634002 0.15893713 0.43298310 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44670000\n_cell_length_b 4.57235000\n_cell_length_c 6.37584000\n_cell_angle_alpha 92.43821000\n_cell_angle_beta 78.91238000\n_cell_angle_gamma 105.55115000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.43069087\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89108872 0.38955015 0.42071966 1\n C C1 1 0.37072232 0.08772896 0.16404693 1\n C C2 1 0.58641292 0.86252714 0.50588421 1\n C C3 1 0.58216381 0.39503460 0.05120246 1\n C C4 1 0.05010653 0.91545868 0.63122844 1\n C C5 1 0.36289699 0.87158380 -0.03264828 1\n C C6 1 0.44563062 0.53103353 0.45494503 1\n C C7 1 0.17148903 0.53778431 0.01706338 1\n C C8 1 0.79641916 0.08530169 0.30850237 1\n C C9 1 0.95241539 -0.07499256 0.84121070 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51212000\n_cell_length_b 4.63092000\n_cell_length_c 5.47580000\n_cell_angle_alpha 68.26051000\n_cell_angle_beta 87.19190000\n_cell_angle_gamma 81.50394000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.52116397\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25256352 0.97423318 0.27324271 1\n C C1 1 0.31661578 0.76583431 0.56012230 1\n C C2 1 0.22606750 0.28211197 0.32716675 1\n C C3 1 0.73958045 -0.01221515 0.10494316 1\n C C4 1 0.70277786 0.24089551 0.49961439 1\n C C5 1 0.78208909 0.74359328 0.97199716 1\n C C6 1 0.77658673 0.88190045 0.66627713 1\n C C7 1 0.54044486 0.31284061 0.91638335 1\n C C8 1 0.31513656 0.52949102 1.05519271 1\n C C9 1 0.52272524 0.42836283 0.65873095 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48828000\n_cell_length_b 4.30639000\n_cell_length_c 4.30489000\n_cell_angle_alpha 119.99513000\n_cell_angle_beta 73.20432000\n_cell_angle_gamma 125.28227000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61257529\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87930447 0.23435243 0.64694971 1\n C C1 1 0.12947217 0.65112847 -0.01966238 1\n C C2 1 0.12947217 -0.01553819 0.64700429 1\n C C3 1 -0.12069553 0.56768576 0.31361638 1\n C C4 1 0.87930447 0.90101909 0.98028305 1\n C C5 1 1.12947217 0.31779514 0.31367095 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.71516000\n_cell_length_b 3.93665000\n_cell_length_c 4.83951000\n_cell_angle_alpha 87.17417000\n_cell_angle_beta 110.73650000\n_cell_angle_gamma 49.10775000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.63063909\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05507653 0.73390519 0.20820150 1\n C C1 1 0.05091048 0.51044904 0.52042499 1\n C C2 1 0.69924233 0.22069729 0.99232135 1\n C C3 1 0.45404890 0.70561923 -0.03758144 1\n C C4 1 0.45458076 0.70631303 0.48143271 1\n C C5 1 0.70091858 0.21929519 0.69682162 1\n C C6 1 0.94610665 0.73385407 0.72763003 1\n C C7 1 0.30296113 1.00258554 0.64621858 1\n C C8 1 0.34767107 -0.07065479 0.16900533 1\n C C9 1 0.09702554 0.43724032 1.04390273 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48173000\n_cell_length_b 3.66505000\n_cell_length_c 5.57466000\n_cell_angle_alpha 109.28726000\n_cell_angle_beta 77.13485000\n_cell_angle_gamma 89.99625000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.50842550\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52054002 0.88246189 0.68017590 1\n C C1 1 0.40474652 0.73480425 0.90519177 1\n C C2 1 0.28603674 0.11766015 0.14697075 1\n C C3 1 0.78613628 0.35646664 0.14699620 1\n C C4 1 0.02027089 0.12206837 0.68075155 1\n C C5 1 0.17478256 0.96894084 0.37160882 1\n C C6 1 0.90477245 0.49536311 0.90497168 1\n C C7 1 0.67504494 0.73033117 0.37124773 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48127000\n_cell_length_b 4.21962000\n_cell_length_c 3.68793000\n_cell_angle_alpha 104.93822000\n_cell_angle_beta 70.35987000\n_cell_angle_gamma 90.01451000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97857398\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33062182 0.39177198 0.94019109 1\n C C1 1 0.53140601 0.46739729 0.54251393 1\n C C2 1 0.01077864 0.68926919 0.58278482 1\n C C3 1 0.78659152 0.89594373 0.02847778 1\n C C4 1 0.75260265 0.26094775 0.09661712 1\n C C5 1 0.20776936 0.76562046 0.18591696 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45846000\n_cell_length_b 5.43145000\n_cell_length_c 6.74185000\n_cell_angle_alpha 61.05593000\n_cell_angle_beta 68.94019000\n_cell_angle_gamma 63.10581000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.11207998\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46353152 0.29048113 0.84898425 1\n C C1 1 0.16552081 0.63112254 0.80732221 1\n C C2 1 0.67495699 0.20816918 0.22230755 1\n C C3 1 0.90275408 0.67389974 1.02582500 1\n C C4 1 0.06860935 0.67762787 0.35887489 1\n C C5 1 0.00339383 0.37944719 0.22239264 1\n C C6 1 0.73410609 0.92641207 0.44431331 1\n C C7 1 0.71062092 0.47648048 0.41904593 1\n C C8 1 0.20329649 0.81428072 1.08604966 1\n C C9 1 0.75307114 0.21479748 0.63800269 1\n C C10 1 1.09439389 0.91661883 0.59591421 1\n C C11 1 0.95561359 0.14858607 1.00051807 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44094000\n_cell_length_b 7.12511000\n_cell_length_c 6.03229000\n_cell_angle_alpha 78.64877000\n_cell_angle_beta 81.55356000\n_cell_angle_gamma 82.83881000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 101.24838184\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17817901 0.54565884 0.08355018 1\n C C1 1 0.08542960 0.85797159 0.31262293 1\n C C2 1 0.31485798 0.70382793 0.68034147 1\n C C3 1 0.11681457 0.24589285 0.45920374 1\n C C4 1 0.20528093 0.72675804 0.91953860 1\n C C5 1 0.61482008 0.85044060 0.20372241 1\n C C6 1 0.81169657 0.18981576 0.08577258 1\n C C7 1 0.64584206 0.84140013 0.96058497 1\n C C8 1 0.52349333 0.04310883 0.80104776 1\n C C9 1 0.09614072 0.87078645 0.54648705 1\n C C10 1 1.06994520 1.05639733 0.64452082 1\n C C11 1 0.67829391 0.26993647 0.30459937 1\n C C12 1 0.99525392 0.42617989 0.57380006 1\n C C13 1 0.67631505 0.46473218 0.15703081 1\n C C14 1 0.36282306 0.16661362 0.97861871 1\n C C15 1 0.44737582 0.51317580 0.61025454 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48600000\n_cell_length_b 3.49983000\n_cell_length_c 8.29783000\n_cell_angle_alpha 91.50226000\n_cell_angle_beta 107.38114000\n_cell_angle_gamma 85.10632000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.64817528\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81409071 0.47105948 0.26388016 1\n C C1 1 0.54624707 0.14640074 0.62463114 1\n C C2 1 0.67737063 0.91051822 0.78830151 1\n C C3 1 -0.15940981 0.15839311 0.94505688 1\n C C4 1 0.98675596 0.09596846 0.26393880 1\n C C5 1 -0.01846912 0.41843516 0.62455696 1\n C C6 1 1.02738951 0.78461323 0.38961025 1\n C C7 1 0.63788646 -0.21558183 0.50070024 1\n C C8 1 0.50650924 0.65487007 0.09946546 1\n C C9 1 0.18412501 0.65399387 0.78812702 1\n C C10 1 0.97044609 0.91112263 0.09953941 1\n C C11 1 0.33221816 0.40687156 0.94486118 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23763000\n_cell_length_b 4.23403000\n_cell_length_c 3.27624000\n_cell_angle_alpha 95.25241000\n_cell_angle_beta 124.03340000\n_cell_angle_gamma 119.87089000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.20280867\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.27752960 0.84215010 0.44696272 1\n C C1 1 0.02985853 0.21328245 0.61471655 1\n C C2 1 0.59341112 0.15841271 0.44571755 1\n C C3 1 0.84098770 0.78704819 0.27788559 1\n C C4 1 0.47961137 0.42609297 0.27741718 1\n C C5 1 0.39125727 0.57432869 0.61506471 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47015000\n_cell_length_b 4.09134000\n_cell_length_c 6.12567000\n_cell_angle_alpha 92.62717000\n_cell_angle_beta 78.35590000\n_cell_angle_gamma 89.99280000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.56683712\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04093672 0.19823569 0.84296737 1\n C C1 1 0.44603753 0.70665484 0.03319710 1\n C C2 1 0.10555927 0.86159599 0.71556043 1\n C C3 1 0.54054495 0.40479508 0.84376968 1\n C C4 1 0.78712730 0.22318329 0.35502492 1\n C C5 1 0.29355469 0.06861538 0.34116076 1\n C C6 1 0.63831794 0.67498288 0.64834701 1\n C C7 1 0.31845942 0.71359325 0.28931912 1\n C C8 1 0.98136958 0.87793480 0.96077421 1\n C C9 1 0.76691551 0.57523739 0.39481361 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47574000\n_cell_length_b 4.79601000\n_cell_length_c 4.86149000\n_cell_angle_alpha 67.89816000\n_cell_angle_beta 59.37862000\n_cell_angle_gamma 89.98974000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.67725849\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00192211 0.77075295 0.33345259 1\n C C1 1 0.29921193 0.10442720 0.03601296 1\n C C2 1 -0.07491699 0.61589389 0.91043711 1\n C C3 1 0.66861566 0.10444763 0.66657969 1\n C C4 1 0.74656400 0.25944086 0.08875839 1\n C C5 1 0.55443982 0.61567897 0.28082227 1\n C C6 1 0.63250647 0.77086665 0.70280401 1\n C C7 1 0.37623160 0.25947015 0.45879539 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47242000\n_cell_length_b 4.46761000\n_cell_length_c 4.24844000\n_cell_angle_alpha 111.39766000\n_cell_angle_beta 90.01234000\n_cell_angle_gamma 123.58843000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.14078735\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96644573 0.22666512 0.88694753 1\n C C1 1 0.37508985 0.63494099 0.88701378 1\n C C2 1 0.80934383 0.06981432 0.16469016 1\n C C3 1 0.85562527 0.61544460 0.66404946 1\n C C4 1 0.42032408 0.18067521 0.38622805 1\n C C5 1 0.26348723 0.02365226 0.66398842 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45599000\n_cell_length_b 2.53126000\n_cell_length_c 6.35088000\n_cell_angle_alpha 84.07601000\n_cell_angle_beta 89.74695000\n_cell_angle_gamma 89.38507000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.26850421\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11753534 0.34980639 0.64487335 1\n C C1 1 0.61800978 0.41993599 0.53867884 1\n C C2 1 1.11817466 0.25235861 0.87640223 1\n C C3 1 0.61834933 0.56440406 0.31780881 1\n C C4 1 0.11889141 0.63322573 0.21195394 1\n C C5 1 0.11899227 0.72665261 -0.01945468 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42497000\n_cell_length_b 3.86943000\n_cell_length_c 7.18163000\n_cell_angle_alpha 94.29301000\n_cell_angle_beta 102.80931000\n_cell_angle_gamma 114.23034000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.86970363\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29028600 0.34141008 0.55778739 1\n C C1 1 0.29033685 0.50808103 0.39063162 1\n C C2 1 0.79194608 0.25977686 0.64121725 1\n C C3 1 0.29104596 1.00876740 -0.10913900 1\n C C4 1 1.28954178 0.84051782 1.05745763 1\n C C5 1 0.79073934 1.09193868 0.80796811 1\n C C6 1 -0.21054581 0.59058250 0.30747149 1\n C C7 1 0.79068379 0.75832382 0.14068030 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31879000\n_cell_length_b 3.51643000\n_cell_length_c 3.51892000\n_cell_angle_alpha 60.01730000\n_cell_angle_beta 89.99435000\n_cell_angle_gamma 89.99190000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.57111287\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81722460 0.81427758 0.50298817 1\n C C1 1 -0.01734537 1.04610423 0.03907919 1\n C C2 1 0.31721089 0.35114691 1.03904379 1\n C C3 1 0.15065156 0.81465894 0.80723296 1\n C C4 1 0.48281753 0.11938110 0.50301903 1\n C C5 1 0.65059010 0.35077553 0.73515567 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42899000\n_cell_length_b 6.13617000\n_cell_length_c 4.15864000\n_cell_angle_alpha 68.69886000\n_cell_angle_beta 89.84623000\n_cell_angle_gamma 78.67960000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.46531676\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78455026 0.41210118 0.76047333 1\n C C1 1 0.47243645 1.02010393 0.39533757 1\n C C2 1 0.69173496 0.59546946 0.89444658 1\n C C3 1 0.45573483 0.06489702 0.72208905 1\n C C4 1 0.98831867 -0.01235880 0.25795715 1\n C C5 1 0.14324369 0.69080015 0.94907978 1\n C C6 1 0.33154735 0.31697769 0.70548632 1\n C C7 1 1.01576920 0.94352028 0.93077223 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48815000\n_cell_length_b 2.48766000\n_cell_length_c 6.57763000\n_cell_angle_alpha 112.25951000\n_cell_angle_beta 100.92777000\n_cell_angle_gamma 59.97821000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62407332\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70238413 0.67463510 0.43832351 1\n C C1 1 1.03606370 0.67427501 0.10504755 1\n C C2 1 0.36982228 0.67383774 0.77121431 1\n C C3 1 0.70317925 0.92421975 0.68826891 1\n C C4 1 0.36945804 0.92396465 0.02142592 1\n C C5 1 0.03579241 0.92482325 0.35528430 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49785000\n_cell_length_b 2.49986000\n_cell_length_c 11.01182000\n_cell_angle_alpha 96.01957000\n_cell_angle_beta 128.39467000\n_cell_angle_gamma 96.71529000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.11156950\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.37239025 0.11899708 0.31415650 1\n C C1 1 0.90396340 0.64677942 0.89344334 1\n C C2 1 0.17623341 0.54820166 0.81364925 1\n C C3 1 0.65881858 0.38069807 0.63962446 1\n C C4 1 0.40576654 0.81590175 0.56037732 1\n C C5 1 1.11053133 0.95200703 0.14015546 1\n C C6 1 0.38270344 -0.14628572 1.06033926 1\n C C7 1 0.88061995 0.68380601 0.39346891 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60729000\n_cell_length_b 4.94407000\n_cell_length_c 4.77734000\n_cell_angle_alpha 121.21863000\n_cell_angle_beta 106.88118000\n_cell_angle_gamma 89.81533000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.57306423\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56889241 0.44520609 0.07587402 1\n C C1 1 0.67350705 0.29904845 0.28294350 1\n C C2 1 0.56894428 0.94521207 0.07596645 1\n C C3 1 0.93999650 0.82495520 0.83533029 1\n C C4 1 -0.06008297 0.32495280 0.83524152 1\n C C5 1 0.83534851 -0.02814444 0.62835540 1\n C C6 1 0.67339162 0.79903943 0.28303104 1\n C C7 1 0.83549911 0.47187000 0.62827498 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43229000\n_cell_length_b 3.15240000\n_cell_length_c 6.41117000\n_cell_angle_alpha 65.03887000\n_cell_angle_beta 78.93603000\n_cell_angle_gamma 84.75866000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.73503791\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87245318 0.60683331 1.02480873 1\n C C1 1 0.53910204 0.60610766 0.69173057 1\n C C2 1 0.42832090 0.60824947 0.91323312 1\n C C3 1 0.20570533 0.60623338 0.35846666 1\n C C4 1 0.76171761 0.60812375 0.24649703 1\n C C5 1 0.09496976 0.60752382 0.58015496 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48257000\n_cell_length_b 4.48111000\n_cell_length_c 6.28431000\n_cell_angle_alpha 99.60005000\n_cell_angle_beta 101.37172000\n_cell_angle_gamma 89.97307000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.54060223\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.17231376 -0.03681914 0.93173018 1\n C C1 1 0.26853761 0.50870893 0.80995488 1\n C C2 1 0.14974995 0.31819203 0.57829693 1\n C C3 1 0.47228109 0.22820391 0.22670650 1\n C C4 1 0.47699701 0.86957586 0.23428808 1\n C C5 1 0.91280741 0.77357434 0.10451288 1\n C C6 1 0.26379771 0.86614752 0.80174594 1\n C C7 1 -0.09825472 0.25034225 0.08484710 1\n C C8 1 0.14888550 0.94388263 0.57582203 1\n C C9 1 0.59197004 0.79135700 0.46013132 1\n C C10 1 0.83862920 0.48622886 -0.04844217 1\n C C11 1 0.59028628 0.41731581 0.45801062 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42520000\n_cell_length_b 5.70383000\n_cell_length_c 10.68349000\n_cell_angle_alpha 82.41969000\n_cell_angle_beta 86.39125000\n_cell_angle_gamma 87.57327000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 146.11541846\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62095747 0.61917808 0.60404368 1\n C C1 1 0.61392052 0.41775711 0.11769194 1\n C C2 1 0.14906065 0.19943207 0.49843316 1\n C C3 1 1.10930036 0.51063099 0.06853672 1\n C C4 1 0.10173080 0.02705696 0.74313189 1\n C C5 1 0.18483747 0.66329123 0.34379766 1\n C C6 1 1.18227562 0.92414377 0.35540617 1\n C C7 1 1.05256532 0.66407116 -0.05308242 1\n C C8 1 0.69053534 0.08260175 0.31509646 1\n C C9 1 0.53239871 0.81938799 0.92989626 1\n C C10 1 0.66510634 0.27916925 0.41498713 1\n C C11 1 0.05984952 0.50126356 0.84992294 1\n C C12 1 0.57969858 0.44133920 0.79976625 1\n C C13 1 0.61125769 0.37686170 0.66937482 1\n C C14 1 0.87926552 1.03260993 0.08370634 1\n C C15 1 0.12472051 0.23979811 0.64009584 1\n C C16 1 0.14717038 0.94441892 0.49238357 1\n C C17 1 1.12242260 0.73796278 0.58244581 1\n C C18 1 0.41337631 -0.02852028 1.03242943 1\n C C19 1 0.72510449 0.18169181 0.18384390 1\n C C20 1 0.58958264 -0.03884614 0.80229570 1\n C C21 1 0.68704507 0.53957924 0.36115124 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44003000\n_cell_length_b 4.18529000\n_cell_length_c 6.72807000\n_cell_angle_alpha 68.52662000\n_cell_angle_beta 100.29293000\n_cell_angle_gamma 89.94165000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.74464440\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09459888 0.43294279 0.44045450 1\n C C1 1 -0.02820752 0.59695459 1.19961922 1\n C C2 1 0.31034266 -0.05045670 0.87770451 1\n C C3 1 0.63853846 0.22769707 0.53055490 1\n C C4 1 0.75643990 0.06069756 0.77096025 1\n C C5 1 1.11630614 0.75520306 0.47992218 1\n C C6 1 0.41731324 0.70610126 1.09246213 1\n C C7 1 0.62236954 0.90597087 0.49036411 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43944000\n_cell_length_b 4.23174000\n_cell_length_c 7.40680000\n_cell_angle_alpha 118.79685000\n_cell_angle_beta 99.52512000\n_cell_angle_gamma 89.90881000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.81096356\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03840368 0.42172272 0.22877015 1\n C C1 1 1.04538569 0.08506598 0.24516876 1\n C C2 1 0.49902211 0.85122451 0.15098268 1\n C C3 1 0.15972862 0.22554687 0.47616422 1\n C C4 1 0.35202531 0.94886539 0.84102030 1\n C C5 1 0.53291687 0.56797711 0.21532136 1\n C C6 1 0.37832149 0.66490414 0.90457693 1\n C C7 1 0.84638413 0.09517179 0.82755456 1\n C C8 1 0.71089702 0.29109468 0.57914929 1\n C C9 1 -0.16866801 0.43115871 0.81021085 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45298000\n_cell_length_b 4.16010000\n_cell_length_c 5.09692000\n_cell_angle_alpha 74.83161000\n_cell_angle_beta 104.01945000\n_cell_angle_gamma 89.99926000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.59314567\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38520164 0.30214035 0.42453740 1\n C C1 1 -0.06924475 0.77426068 0.50367813 1\n C C2 1 0.10216979 0.58882601 0.84098298 1\n C C3 1 0.89534810 0.13958549 0.44698261 1\n C C4 1 0.63059164 0.38596860 0.89876649 1\n C C5 1 0.36296126 0.66783184 0.36809783 1\n C C6 1 0.66765085 0.05331506 0.97324619 1\n C C7 1 0.19657408 0.85050758 0.03027728 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.59338000\n_cell_length_b 4.82517000\n_cell_length_c 5.11880000\n_cell_angle_alpha 118.16992000\n_cell_angle_beta 80.17979000\n_cell_angle_gamma 111.20910000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.94097566\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29357411 0.50172453 0.70959870 1\n C C1 1 0.91138093 0.25474728 0.53715797 1\n C C2 1 0.50936748 0.83062248 0.70937684 1\n C C3 1 0.55534197 0.32469121 0.71897718 1\n C C4 1 0.50993339 0.01039316 0.06828422 1\n C C5 1 0.24651472 0.18675193 0.05992686 1\n C C6 1 0.29373971 0.68130306 0.06826163 1\n C C7 1 0.24606506 1.01612809 0.71901839 1\n C C8 1 0.89075047 0.90475648 0.53657664 1\n C C9 1 0.55570207 0.49548459 1.05962971 1\n C C10 1 0.89114104 0.25825387 0.24246065 1\n C C11 1 0.91168095 0.60736461 0.24195582 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26534000\n_cell_length_b 3.42549000\n_cell_length_c 4.54556000\n_cell_angle_alpha 108.63089000\n_cell_angle_beta 89.98665000\n_cell_angle_gamma 90.02693000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.17944788\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56380554 0.94951352 0.88267197 1\n C C1 1 0.78345617 0.14253822 0.41246121 1\n C C2 1 0.06359660 0.78239031 0.24648893 1\n C C3 1 0.13276235 0.44974020 0.38248971 1\n C C4 1 0.28366531 0.58827854 0.71656261 1\n C C5 1 0.63246736 0.28209289 0.74662393 1\n C C6 1 0.41144056 0.08828631 0.21648247 1\n C C7 1 0.91148641 0.64265221 0.91248257 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42926000\n_cell_length_b 2.61016000\n_cell_length_c 9.49097000\n_cell_angle_alpha 106.29546000\n_cell_angle_beta 68.57443000\n_cell_angle_gamma 87.75043000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.08959207\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99136175 0.74706456 0.23256302 1\n C C1 1 0.23873182 0.45801806 0.06712921 1\n C C2 1 0.37122908 0.87971423 0.31372107 1\n C C3 1 1.11194063 0.10035363 0.48788091 1\n C C4 1 -0.14069320 0.31402275 0.98667885 1\n C C5 1 0.72898195 0.90112246 0.74002165 1\n C C6 1 0.99133950 0.68291623 0.56571518 1\n C C7 1 0.10938086 0.03061698 0.82106201 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50053000\n_cell_length_b 5.43786000\n_cell_length_c 6.81888000\n_cell_angle_alpha 88.97833000\n_cell_angle_beta 79.86990000\n_cell_angle_gamma 79.85720000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 89.83980933\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70086355 0.55353936 0.50174198 1\n C C1 1 0.26809238 0.39454083 0.52848555 1\n C C2 1 0.76119868 0.13662410 0.76198421 1\n C C3 1 1.04768315 1.02452561 0.39390166 1\n C C4 1 0.50678561 0.19108230 0.37110128 1\n C C5 1 0.54801872 0.65707506 0.86853746 1\n C C6 1 0.55518303 0.76483076 0.65205314 1\n C C7 1 0.66015760 0.36567095 0.19237147 1\n C C8 1 0.37294533 0.86023394 0.02631224 1\n C C9 1 0.69189929 0.63535617 0.28863619 1\n C C10 1 0.22457659 0.32632705 0.06844863 1\n C C11 1 0.17513858 0.79563730 0.24211271 1\n C C12 1 0.21869861 0.29452922 0.73017818 1\n C C13 1 0.49336055 0.08076829 0.96903393 1\n C C14 1 -0.00799127 0.92181103 0.61547258 1\n C C15 1 1.12007279 0.49471634 0.88746750 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47058000\n_cell_length_b 5.96722000\n_cell_length_c 5.16763000\n_cell_angle_alpha 145.74890000\n_cell_angle_beta 89.93048000\n_cell_angle_gamma 102.06216000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.84310923\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38877876 0.58687076 0.71386600 1\n C C1 1 0.34796588 0.50159589 0.35551073 1\n C C2 1 0.19298679 0.19003083 0.52442306 1\n C C3 1 0.77650966 0.35690889 0.81562802 1\n C C4 1 0.81555732 0.43934441 0.17238300 1\n C C5 1 -0.02758930 0.75411612 1.00495778 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43327000\n_cell_length_b 4.81739000\n_cell_length_c 6.44354000\n_cell_angle_alpha 40.97202000\n_cell_angle_beta 67.73299000\n_cell_angle_gamma 75.28548000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.76776983\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31788448 0.31882087 0.75247194 1\n C C1 1 0.12202904 -0.01702352 0.11724614 1\n C C2 1 0.18111781 0.54678301 0.27760519 1\n C C3 1 -0.03581161 0.24253016 0.64502460 1\n C C4 1 1.02450807 0.80629890 0.80559165 1\n C C5 1 0.82655008 0.47016406 0.17017158 1\n C C6 1 0.26634719 0.77326594 0.57938576 1\n C C7 1 0.88022252 0.01590558 0.34356464 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.08028000\n_cell_length_b 4.60182000\n_cell_length_c 3.37644000\n_cell_angle_alpha 66.49976000\n_cell_angle_beta 79.75411000\n_cell_angle_gamma 51.35947000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.18758956\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46705662 0.74982885 0.40361301 1\n C C1 1 0.94319164 0.92809541 -0.03037822 1\n C C2 1 0.32673693 0.60280953 0.86114316 1\n C C3 1 0.07368139 0.14535814 0.08406825 1\n C C4 1 0.80287196 0.78107609 0.42715193 1\n C C5 1 0.64616481 0.41303740 0.23178112 1\n C C6 1 0.19624718 0.38554679 0.74669669 1\n C C7 1 0.62376376 1.11786753 0.59898382 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.61259000\n_cell_length_b 4.83492000\n_cell_length_c 4.19814000\n_cell_angle_alpha 41.90432000\n_cell_angle_beta 75.57776000\n_cell_angle_gamma 68.07471000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.38289719\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10840924 0.01527699 0.11304911 1\n C C1 1 0.76180650 0.71178510 1.10521242 1\n C C2 1 0.16679559 0.51946718 0.10662652 1\n C C3 1 0.32263457 0.20702970 0.11325832 1\n C C4 1 0.38070568 0.71127078 1.10699069 1\n C C5 1 0.72761512 1.01446344 0.11469534 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42756000\n_cell_length_b 4.40545000\n_cell_length_c 4.87553000\n_cell_angle_alpha 77.63973000\n_cell_angle_beta 97.62498000\n_cell_angle_gamma 112.04264000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.54570801\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56367000 0.94972085 0.59323657 1\n C C1 1 0.48384176 0.27065442 0.49701689 1\n C C2 1 0.40904835 0.37847193 0.75925858 1\n C C3 1 0.21998874 0.10565889 0.99245950 1\n C C4 1 0.16841606 0.62567987 0.65609517 1\n C C5 1 0.75559245 0.90356673 0.35026119 1\n C C6 1 1.06490977 0.53393177 0.15826154 1\n C C7 1 0.87154790 0.57956206 0.40112426 1\n C C8 1 0.46028758 0.85817103 0.09538802 1\n C C9 1 0.84843369 0.58534208 0.87157493 1\n C C10 1 1.14349973 0.21274514 0.25467433 1\n C C11 1 -0.21910383 0.89883784 0.87991063 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45443000\n_cell_length_b 3.35461000\n_cell_length_c 7.56520000\n_cell_angle_alpha 73.99994000\n_cell_angle_beta 90.03963000\n_cell_angle_gamma 111.49937000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.35853878\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18992268 0.49212451 0.68274104 1\n C C1 1 0.07073811 0.25368251 0.87900495 1\n C C2 1 0.81094633 0.73625389 0.59301292 1\n C C3 1 0.50421922 0.12053722 0.96845872 1\n C C4 1 1.05462862 0.22386148 0.53554475 1\n C C5 1 0.36745633 0.84624299 0.15786480 1\n C C6 1 0.67826946 0.46990111 0.44466314 1\n C C7 1 0.79943115 0.71219649 0.24775698 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.81542000\n_cell_length_b 4.07321000\n_cell_length_c 4.66874000\n_cell_angle_alpha 81.39212000\n_cell_angle_beta 61.81534000\n_cell_angle_gamma 81.36074000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.96966887\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18909152 -0.18576442 0.84978388 1\n C C1 1 0.65443717 1.16881841 0.77579741 1\n C C2 1 0.82557147 0.69920644 0.40314065 1\n C C3 1 0.52162905 0.98387005 0.59098478 1\n C C4 1 0.15663019 0.87184167 0.14477319 1\n C C5 1 0.95016535 0.41933879 0.62004649 1\n C C6 1 0.95185462 0.56531855 0.88968541 1\n C C7 1 0.69187509 0.51664497 0.21808273 1\n C C8 1 0.39670598 0.26596687 0.37359144 1\n C C9 1 0.39412237 0.12087217 0.10439021 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.83749000\n_cell_length_b 4.84089000\n_cell_length_c 4.28891000\n_cell_angle_alpha 103.40757000\n_cell_angle_beta 103.05901000\n_cell_angle_gamma 78.80975000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 74.65002016\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49119292 0.66941418 0.98565414 1\n C C1 1 0.66766453 0.30176123 0.35624922 1\n C C2 1 0.27036380 0.10897670 0.54202853 1\n C C3 1 0.31402807 0.30168636 0.35582345 1\n C C4 1 0.64487903 0.98601686 0.66200742 1\n C C5 1 0.74424726 0.79001426 0.86264400 1\n C C6 1 0.12019291 0.67006026 -0.01412575 1\n C C7 1 0.89897967 0.10941423 0.54256701 1\n C C8 1 0.72427943 0.48136259 0.17712794 1\n C C9 1 1.07771617 0.48196405 0.17779094 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49346000\n_cell_length_b 3.94499000\n_cell_length_c 7.69026000\n_cell_angle_alpha 90.01753000\n_cell_angle_beta 90.00405000\n_cell_angle_gamma 90.00354000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 75.64658261\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51298959 0.82480115 0.50723637 1\n C C1 1 0.51411762 0.32909002 0.99658841 1\n C C2 1 0.01392580 0.32504176 0.10184964 1\n C C3 1 0.01383689 0.53498311 0.74999678 1\n C C4 1 0.51255885 -0.01223491 0.33144456 1\n C C5 1 0.51266838 0.62679186 0.34075086 1\n C C6 1 0.01268484 0.48751845 0.27777952 1\n C C7 1 0.51401636 0.62380476 0.85973439 1\n C C8 1 0.01263749 0.12640710 0.26749248 1\n C C9 1 1.01321425 0.82859267 0.61218164 1\n C C10 1 0.51405782 0.03506457 0.85910846 1\n C C11 1 1.01392561 0.12353048 0.74940069 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43088000\n_cell_length_b 4.05884000\n_cell_length_c 6.16275000\n_cell_angle_alpha 109.10250000\n_cell_angle_beta 91.26416000\n_cell_angle_gamma 91.86552000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.39192671\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79540336 0.42608183 0.54053994 1\n C C1 1 0.29531817 0.33814935 0.62168916 1\n C C2 1 0.29525304 0.17402880 0.78931871 1\n C C3 1 0.79542960 0.58942870 0.37280556 1\n C C4 1 0.29525108 0.67429236 0.28944802 1\n C C5 1 0.29531888 -0.16197809 0.12162890 1\n C C6 1 0.79539257 -0.07425234 0.04037624 1\n C C7 1 0.79542050 0.08897579 0.87258759 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48758000\n_cell_length_b 2.48721000\n_cell_length_c 6.57657000\n_cell_angle_alpha 100.89622000\n_cell_angle_beta 100.92085000\n_cell_angle_gamma 120.02668000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60622952\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06774412 0.83816436 0.38901200 1\n C C1 1 0.31789368 0.75518714 0.97264960 1\n C C2 1 0.31802757 1.08851761 0.63934987 1\n C C3 1 0.31760971 0.42136278 0.30548889 1\n C C4 1 0.06793438 0.50513571 0.72268283 1\n C C5 1 0.06740113 0.17135599 0.05541501 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34965000\n_cell_length_b 3.75087000\n_cell_length_c 4.71186000\n_cell_angle_alpha 93.39223000\n_cell_angle_beta 88.25682000\n_cell_angle_gamma 94.70028000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.87836133\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15912667 0.19022559 0.60256740 1\n C C1 1 0.53639616 0.00856271 0.22161142 1\n C C2 1 0.38987895 0.32081444 0.37020340 1\n C C3 1 0.78282928 0.00908998 -0.01597484 1\n C C4 1 0.15967338 0.82585224 0.60282043 1\n C C5 1 0.92992106 0.69532859 0.83547983 1\n C C6 1 -0.07172859 0.32201337 0.83395037 1\n C C7 1 0.39177870 0.69418038 0.37141869 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.82883000\n_cell_length_b 4.03287000\n_cell_length_c 4.82112000\n_cell_angle_alpha 97.04561000\n_cell_angle_beta 72.08284000\n_cell_angle_gamma 60.99693000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.25991298\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16667924 0.95940125 0.35380265 1\n C C1 1 0.82853777 0.30702978 1.04308071 1\n C C2 1 0.78549128 0.34109276 0.35452137 1\n C C3 1 0.44721247 0.68879812 0.04388777 1\n C C4 1 0.22959954 0.90331614 0.85358297 1\n C C5 1 0.38457559 0.74485694 0.54404503 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49083000\n_cell_length_b 5.63086000\n_cell_length_c 7.98475000\n_cell_angle_alpha 67.34876000\n_cell_angle_beta 98.98456000\n_cell_angle_gamma 116.28737000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.64973619\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74264926 0.98712109 0.24064004 1\n C C1 1 1.19641687 0.09240018 -0.06510188 1\n C C2 1 0.21405652 0.28517247 0.58988303 1\n C C3 1 0.29785469 0.63465554 0.05822153 1\n C C4 1 0.36517335 0.85955427 0.73742791 1\n C C5 1 0.51441930 -0.07914930 0.91300429 1\n C C6 1 0.79683699 0.41742985 0.49081479 1\n C C7 1 1.08358429 0.68826562 0.52193197 1\n C C8 1 0.80358368 0.52268639 0.29400809 1\n C C9 1 0.44579980 0.69547858 0.23133797 1\n C C10 1 -0.06539874 -0.01504988 0.62621771 1\n C C11 1 0.73734727 0.87128278 0.46300111 1\n C C12 1 0.05971146 0.56031584 0.73183003 1\n C C13 1 0.38991504 0.37258954 0.76789793 1\n C C14 1 0.63878425 0.44809885 0.11404123 1\n C C15 1 0.34001416 0.13774568 0.13291713 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48188000\n_cell_length_b 6.83316000\n_cell_length_c 6.35831000\n_cell_angle_alpha 63.61930000\n_cell_angle_beta 78.69019000\n_cell_angle_gamma 79.59080000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 94.18732707\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.39078924 0.53508753 0.53322511 1\n C C1 1 0.34480263 0.14168785 0.45366423 1\n C C2 1 0.25191609 0.89568478 0.88614244 1\n C C3 1 0.69339999 0.63960716 0.26212438 1\n C C4 1 0.37293358 0.71811230 0.81836777 1\n C C5 1 -0.36108337 0.28651859 0.71645921 1\n C C6 1 0.21706117 0.14489056 0.70172906 1\n C C7 1 -0.00137875 0.18228362 0.10564918 1\n C C8 1 0.82051834 0.48042712 0.16032812 1\n C C9 1 0.03658689 0.94951488 0.25978677 1\n C C10 1 0.38534982 0.50264016 0.00902713 1\n C C11 1 0.86270257 0.24747850 0.31327017 1\n C C12 1 0.47009086 0.92733360 0.41139746 1\n C C13 1 0.51672352 0.28863943 -0.03499288 1\n C C14 1 0.48067404 0.71164062 0.60235738 1\n C C15 1 1.17019106 0.79065212 0.15753067 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48262000\n_cell_length_b 4.89856000\n_cell_length_c 3.68907000\n_cell_angle_alpha 113.13504000\n_cell_angle_beta 70.33132000\n_cell_angle_gamma 120.50968000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00738673\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.09473244 0.75270634 0.91964406 1\n C C1 1 0.86612850 0.25728081 1.00844529 1\n C C2 1 0.59117637 0.18145025 0.40589552 1\n C C3 1 0.57468261 0.38790318 0.85176579 1\n C C4 1 0.88886951 0.95917138 0.36530222 1\n C C5 1 0.61494275 0.88325484 0.76236912 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41434000\n_cell_length_b 3.42056000\n_cell_length_c 4.88789000\n_cell_angle_alpha 110.41503000\n_cell_angle_beta 110.16800000\n_cell_angle_gamma 89.44502000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.82133459\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22776089 0.85641573 0.37307634 1\n C C1 1 0.56843130 0.51585936 0.37342494 1\n C C2 1 0.66755565 0.44647147 0.87682570 1\n C C3 1 0.15648598 0.95706948 0.87648639 1\n C C4 1 0.92698940 0.87479641 0.53950583 1\n C C5 1 0.99729306 0.77543641 1.03597490 1\n C C6 1 0.48616194 0.28645637 0.03607922 1\n C C7 1 0.58664069 0.21561606 0.53946099 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47546000\n_cell_length_b 3.72241000\n_cell_length_c 4.24799000\n_cell_angle_alpha 64.03576000\n_cell_angle_beta 89.99166000\n_cell_angle_gamma 89.98981000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.19296699\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65837996 0.70421260 0.22193515 1\n C C1 1 1.15827353 0.75053722 0.72102709 1\n C C2 1 0.15833448 0.59336080 0.44319305 1\n C C3 1 0.65776458 0.13926465 0.94393609 1\n C C4 1 0.65824919 0.54754013 0.94383271 1\n C C5 1 0.15795346 0.15867101 0.72123251 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68857000\n_cell_length_b 2.48218000\n_cell_length_c 4.89504000\n_cell_angle_alpha 120.45332000\n_cell_angle_beta 66.95395000\n_cell_angle_gamma 109.67847000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00643906\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83995177 0.85040212 0.67509532 1\n C C1 1 0.44186457 0.57553355 0.59953509 1\n C C2 1 0.35501075 0.53538505 0.10354261 1\n C C3 1 0.28565086 0.86686585 0.46858791 1\n C C4 1 0.80042963 0.55124548 -0.10318582 1\n C C5 1 0.19762762 0.82589335 0.97295220 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48798000\n_cell_length_b 4.30450000\n_cell_length_c 4.30592000\n_cell_angle_alpha 70.56437000\n_cell_angle_beta 89.96872000\n_cell_angle_gamma 90.00054000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.48650487\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30827943 0.55349574 0.39767721 1\n C C1 1 0.80819152 0.17852249 0.02277084 1\n C C2 1 -0.19172057 0.05349574 0.39767721 1\n C C3 1 0.30819152 0.67852249 0.02277084 1\n C C4 1 0.30827943 0.05349574 -0.10232279 1\n C C5 1 0.30819152 0.17852249 0.52277084 1\n C C6 1 0.80819152 0.67852249 0.52277084 1\n C C7 1 0.80827943 0.55349574 0.89767721 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48233000\n_cell_length_b 5.88247000\n_cell_length_c 5.92628000\n_cell_angle_alpha 65.62278000\n_cell_angle_beta 89.93735000\n_cell_angle_gamma 102.15051000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.67925399\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20324709 0.17132163 0.85503053 1\n C C1 1 0.55179523 0.87870427 0.52088636 1\n C C2 1 0.06239677 0.89693707 0.00820584 1\n C C3 1 0.50280725 0.77763743 0.09487519 1\n C C4 1 0.86083541 0.48956668 0.84441193 1\n C C5 1 0.25698248 0.28031496 0.26840948 1\n C C6 1 0.68123853 0.12902326 0.37094254 1\n C C7 1 0.76863871 0.30134900 0.72264116 1\n C C8 1 1.30012363 0.36887841 0.98793609 1\n C C9 1 0.87439542 0.51935414 0.46624452 1\n C C10 1 -0.02510365 0.72532900 0.58665931 1\n C C11 1 0.37830361 0.52733515 0.31873898 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51706000\n_cell_length_b 4.78419000\n_cell_length_c 5.08736000\n_cell_angle_alpha 88.87793000\n_cell_angle_beta 89.55411000\n_cell_angle_gamma 101.28506000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.06226328\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96943070 0.98983145 1.04710689 1\n C C1 1 0.89633437 0.87939248 0.33458818 1\n C C2 1 0.67886665 0.56050357 0.30836123 1\n C C3 1 0.38934632 0.69838723 0.70854577 1\n C C4 1 0.70300114 0.46292531 0.06307311 1\n C C5 1 0.49189601 0.19363997 0.66411415 1\n C C6 1 0.43069099 -0.06199842 0.50388118 1\n C C7 1 0.88689730 0.71300318 0.88119943 1\n C C8 1 0.52936487 0.16651337 0.96294980 1\n C C9 1 0.45551815 0.44946355 0.55124886 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45768000\n_cell_length_b 4.72466000\n_cell_length_c 7.48891000\n_cell_angle_alpha 68.98302000\n_cell_angle_beta 81.26338000\n_cell_angle_gamma 85.89201000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.21823519\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32045497 0.89353730 0.87214654 1\n C C1 1 0.64201697 0.40715567 0.51759532 1\n C C2 1 0.32224073 0.24405018 0.87252398 1\n C C3 1 0.44040264 0.50961422 0.68773357 1\n C C4 1 -0.13887117 1.02954765 0.56541295 1\n C C5 1 0.37733575 0.84694627 0.67874787 1\n C C6 1 0.18668850 0.36477957 0.24079075 1\n C C7 1 0.77656853 0.23285924 0.99719812 1\n C C8 1 0.72998422 0.43849216 0.10864305 1\n C C9 1 0.16320284 0.51764908 0.38730151 1\n C C10 1 0.72125085 0.91588365 0.13845208 1\n C C11 1 0.17790543 0.84540356 0.26773553 1\n C C12 1 1.07769615 0.05555132 0.36875477 1\n C C13 1 0.77978329 0.76556845 0.99168895 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.58291000\n_cell_length_b 4.06641000\n_cell_length_c 4.96104000\n_cell_angle_alpha 124.08225000\n_cell_angle_beta 103.99814000\n_cell_angle_gamma 89.00259000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.49222340\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58279702 0.83336697 0.41723190 1\n C C1 1 0.58324963 0.16334866 0.74505434 1\n C C2 1 1.00605621 1.08325956 0.24613483 1\n C C3 1 -0.23181308 0.52219482 -0.08306850 1\n C C4 1 0.38699755 0.13844460 0.91677786 1\n C C5 1 0.76711551 -0.15266092 0.24286338 1\n C C6 1 0.19037211 0.44211060 0.41779698 1\n C C7 1 1.00669270 0.75866588 0.91993310 1\n C C8 1 0.19069925 0.77211444 0.74551939 1\n C C9 1 0.38817971 0.46644159 0.24690973 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47522000\n_cell_length_b 5.39501000\n_cell_length_c 4.86244000\n_cell_angle_alpha 95.76468000\n_cell_angle_beta 59.38116000\n_cell_angle_gamma 62.69167000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.66098248\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12573607 0.82951365 0.83596694 1\n C C1 1 0.49671989 0.82945565 0.46590864 1\n C C2 1 1.26275110 0.31769798 0.71044608 1\n C C3 1 0.26318086 -0.01558112 1.04383282 1\n C C4 1 -0.10563617 0.98438924 0.41297432 1\n C C5 1 1.03137887 0.47257358 0.28745345 1\n C C6 1 0.66039505 0.47263158 0.65751175 1\n C C7 1 -0.10606592 0.31766835 0.07958757 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45247000\n_cell_length_b 5.93252000\n_cell_length_c 8.26664000\n_cell_angle_alpha 63.10143000\n_cell_angle_beta 90.14879000\n_cell_angle_gamma 82.68195000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 106.14087980\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87016249 1.14205633 0.32864595 1\n C C1 1 0.34644564 0.33068371 0.04598952 1\n C C2 1 0.23473879 0.81340175 0.54050147 1\n C C3 1 0.19047732 0.78374353 0.09428736 1\n C C4 1 0.75222607 0.83636072 0.42920252 1\n C C5 1 0.80117166 0.59984823 0.39376445 1\n C C6 1 -0.16989120 0.46149923 0.77095614 1\n C C7 1 0.57523379 1.00742813 0.80233237 1\n C C8 1 0.36079391 0.45490566 0.50592737 1\n C C9 1 0.50109014 0.15577055 0.59510846 1\n C C10 1 0.83525826 0.38167349 0.95022245 1\n C C11 1 1.02785111 0.07438496 0.53052082 1\n C C12 1 0.11539575 -0.07020166 0.89597579 1\n C C13 1 0.34672427 0.23093398 0.22749278 1\n C C14 1 0.72241837 0.71261986 0.18860572 1\n C C15 1 0.31547073 0.53011444 0.66633911 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48358000\n_cell_length_b 3.61922000\n_cell_length_c 3.91524000\n_cell_angle_alpha 72.80272000\n_cell_angle_beta 81.14024000\n_cell_angle_gamma 100.62215000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.19040383\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46704232 0.58248538 0.11728517 1\n C C1 1 0.77551467 0.73305840 0.81131550 1\n C C2 1 0.96954186 0.14015926 0.61832453 1\n C C3 1 0.96850623 0.52068729 0.62011486 1\n C C4 1 0.27468737 0.79512996 0.30893737 1\n C C5 1 0.27246365 0.17542100 0.31019207 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37322000\n_cell_length_b 6.92909000\n_cell_length_c 6.14962000\n_cell_angle_alpha 80.38885000\n_cell_angle_beta 76.58602000\n_cell_angle_gamma 77.57635000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 135.50141534\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68886514 0.35422708 0.73745388 1\n C C1 1 0.73344974 0.95743097 0.69488532 1\n C C2 1 1.18233434 0.81075192 0.28338027 1\n C C3 1 0.91815894 0.15278173 0.70125079 1\n C C4 1 0.02356475 0.62103897 0.25764626 1\n C C5 1 0.98128933 0.18203922 0.29199107 1\n C C6 1 0.25186419 0.19824719 0.05288684 1\n C C7 1 0.44166901 0.47851735 0.16718847 1\n C C8 1 0.35824543 0.90158169 0.86392115 1\n C C9 1 0.39194191 0.78724800 0.49983533 1\n C C10 1 0.04650653 0.58697477 0.86268302 1\n C C11 1 0.55330731 -0.02910698 0.48736877 1\n C C12 1 0.46081194 0.43920257 0.55193452 1\n C C13 1 0.53745636 0.31847130 0.36448811 1\n C C14 1 0.13791837 0.79104838 0.73957557 1\n C C15 1 0.23675510 0.16201937 0.46869733 1\n C C16 1 0.67365310 0.02620538 0.08216846 1\n C C17 1 -0.01656330 0.50379143 0.66567563 1\n C C18 1 0.75992542 0.62871794 0.08321852 1\n C C19 1 0.37776021 0.40213372 0.95598106 1\n C C20 1 0.05739508 0.08425721 0.91585876 1\n C C21 1 0.85302180 -0.00757004 0.28648857 1\n C C22 1 -0.27496954 0.60228216 0.48621489 1\n C C23 1 0.50929963 0.83391437 0.07562473 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50315000\n_cell_length_b 4.28183000\n_cell_length_c 6.65464000\n_cell_angle_alpha 73.69511000\n_cell_angle_beta 85.11563000\n_cell_angle_gamma 87.04610000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.17919268\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91928987 0.60382413 0.25086167 1\n C C1 1 -0.12123400 0.23611112 0.89416943 1\n C C2 1 0.66534577 0.20217776 0.11588229 1\n C C3 1 0.94720726 0.60075381 0.81236613 1\n C C4 1 0.70559961 0.93608225 0.26947554 1\n C C5 1 0.40377229 0.09563745 0.81874136 1\n C C6 1 0.45067848 0.20376504 0.56477608 1\n C C7 1 0.50590002 0.89818088 0.49188422 1\n C C8 1 0.43583839 0.72550543 0.89860828 1\n C C9 1 -0.01471860 0.69816009 0.57839687 1\n C C10 1 0.45535112 0.53601829 0.13501408 1\n C C11 1 -0.04689482 0.40894745 0.48793666 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46785000\n_cell_length_b 3.33561000\n_cell_length_c 5.77780000\n_cell_angle_alpha 78.83437000\n_cell_angle_beta 64.28012000\n_cell_angle_gamma 69.31169000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.04049048\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37218644 0.77094360 0.87377742 1\n C C1 1 0.69017296 0.68896941 0.60019750 1\n C C2 1 0.36023219 0.38234974 0.07919161 1\n C C3 1 0.66339851 -0.05784196 0.99799791 1\n C C4 1 0.65171286 0.55226472 0.20413135 1\n C C5 1 0.33902566 0.63448069 0.47750060 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48199000\n_cell_length_b 3.68809000\n_cell_length_c 4.21977000\n_cell_angle_alpha 74.99996000\n_cell_angle_beta 89.99369000\n_cell_angle_gamma 70.35523000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97838381\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23872785 0.42668033 1.01663081 1\n C C1 1 0.04175425 0.82378697 0.09281657 1\n C C2 1 0.46316182 0.98076308 0.22325682 1\n C C3 1 0.49630092 0.91359691 0.58803333 1\n C C4 1 0.71815339 0.46779317 0.79443082 1\n C C5 1 0.91798847 0.07066504 0.71846616 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48821000\n_cell_length_b 4.69561000\n_cell_length_c 4.76280000\n_cell_angle_alpha 103.58906000\n_cell_angle_beta 58.49900000\n_cell_angle_gamma 89.99765000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.60895274\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22252906 0.07000190 0.77014039 1\n C C1 1 -0.11099947 1.00069723 0.10308794 1\n C C2 1 -0.07601253 -0.04438394 0.56867844 1\n C C3 1 -0.04469271 0.42326980 0.53725066 1\n C C4 1 0.88168312 0.65277626 0.11064860 1\n C C5 1 0.15620952 0.64783195 0.33573851 1\n C C6 1 0.22977021 0.41805180 0.76247305 1\n C C7 1 0.18820060 0.11484289 0.30403621 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42770000\n_cell_length_b 4.83638000\n_cell_length_c 5.80419000\n_cell_angle_alpha 126.73027000\n_cell_angle_beta 90.11130000\n_cell_angle_gamma 120.03385000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.59475605\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69731706 0.06617808 0.23923241 1\n C C1 1 0.29072453 0.65974068 0.17953387 1\n C C2 1 0.88487084 0.25353130 0.83329029 1\n C C3 1 0.19740866 0.06668356 0.67849578 1\n C C4 1 0.79171196 0.66020108 0.33224923 1\n C C5 1 0.38528905 0.25370411 0.27242092 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48134000\n_cell_length_b 4.22007000\n_cell_length_c 3.68946000\n_cell_angle_alpha 104.81458000\n_cell_angle_beta 70.32541000\n_cell_angle_gamma 89.96778000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00950672\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69710202 0.84958322 0.38575013 1\n C C1 1 0.37463796 0.14734794 1.02741427 1\n C C2 1 0.91843227 0.64310428 0.94008690 1\n C C3 1 0.49636917 0.77428781 0.78392751 1\n C C4 1 0.17689658 0.07136173 0.42455699 1\n C C5 1 0.95349981 0.27790063 -0.13003120 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48193000\n_cell_length_b 3.68726000\n_cell_length_c 4.89652000\n_cell_angle_alpha 66.83800000\n_cell_angle_beta 59.52296000\n_cell_angle_gamma 70.35293000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97376075\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91212280 -0.00989527 0.66612250 1\n C C1 1 0.20347834 0.14700811 0.79674966 1\n C C2 1 1.18750362 0.59285795 0.59018402 1\n C C3 1 0.88814977 0.63391409 0.36801234 1\n C C4 1 0.16295070 0.23681031 0.29198859 1\n C C5 1 0.87214076 0.07966712 0.16137558 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45660000\n_cell_length_b 3.66372000\n_cell_length_c 6.39227000\n_cell_angle_alpha 105.23203000\n_cell_angle_beta 89.99428000\n_cell_angle_gamma 70.37742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.03984842\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27412272 0.07016560 0.35848603 1\n C C1 1 0.49371619 0.62933516 0.55501463 1\n C C2 1 0.87206570 0.87327080 0.64229550 1\n C C3 1 0.77205205 0.07242544 0.87881723 1\n C C4 1 0.49764286 0.62181252 0.30602565 1\n C C5 1 1.12075861 0.37581177 0.21970511 1\n C C6 1 0.71740047 1.18165140 0.50446898 1\n C C7 1 0.21933630 0.17610842 0.98376826 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27404000\n_cell_length_b 3.27828000\n_cell_length_c 5.97447000\n_cell_angle_alpha 76.58317000\n_cell_angle_beta 103.40852000\n_cell_angle_gamma 81.11123000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.18604305\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76677265 0.62813477 0.27461989 1\n C C1 1 0.79963727 0.05166271 0.88504175 1\n C C2 1 0.71155758 0.65882672 0.50901530 1\n C C3 1 0.39473407 -0.02439601 0.50892499 1\n C C4 1 0.16102176 0.69096708 0.88502804 1\n C C5 1 0.36009331 1.03128016 0.74292859 1\n C C6 1 0.78541417 0.06839792 0.13171280 1\n C C7 1 0.99901019 0.39332319 0.74318328 1\n C C8 1 0.12801601 0.26647533 0.27458519 1\n C C9 1 0.42412068 0.42910863 0.13169338 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45666000\n_cell_length_b 3.66307000\n_cell_length_c 6.46582000\n_cell_angle_alpha 98.74943000\n_cell_angle_beta 79.02554000\n_cell_angle_gamma 70.36279000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.30921279\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.31330308 0.34310219 0.93979315 1\n C C1 1 0.02809478 0.78108580 1.07666940 1\n C C2 1 0.19087824 0.87663023 0.65614133 1\n C C3 1 0.72790975 0.71427654 0.74265055 1\n C C4 1 0.90106865 0.31485433 0.79392504 1\n C C5 1 0.49055399 -0.05777161 0.98924953 1\n C C6 1 -0.11325127 0.82451514 0.31349359 1\n C C7 1 0.32738708 0.83739787 0.41986200 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48851000\n_cell_length_b 4.97559000\n_cell_length_c 5.56125000\n_cell_angle_alpha 47.82126000\n_cell_angle_beta 63.38363000\n_cell_angle_gamma 59.94570000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.49173064\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39739744 0.29161901 0.42370267 1\n C C1 1 0.02306472 0.54143964 0.54859536 1\n C C2 1 0.89691362 0.79153471 0.92364006 1\n C C3 1 0.89691362 0.29153471 0.92364006 1\n C C4 1 0.02306472 0.04143964 0.54859536 1\n C C5 1 0.52246987 0.04145825 0.04867241 1\n C C6 1 0.39739744 0.79161901 0.42370267 1\n C C7 1 0.52246987 0.54145825 1.04867241 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44968000\n_cell_length_b 3.37274000\n_cell_length_c 8.05549000\n_cell_angle_alpha 96.54601000\n_cell_angle_beta 108.90405000\n_cell_angle_gamma 88.26263000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 88.08908324\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58807370 0.57877126 0.50488657 1\n C C1 1 0.53623207 0.84137626 0.22548895 1\n C C2 1 0.72416028 0.75354504 0.82894612 1\n C C3 1 0.07952095 0.08302416 0.50244297 1\n C C4 1 0.28876459 0.47666830 0.11058577 1\n C C5 1 0.79992933 0.98094532 0.12630880 1\n C C6 1 0.21114766 0.17057978 0.22576428 1\n C C7 1 0.86571796 0.62213127 0.00974162 1\n C C8 1 0.56070348 0.28331731 1.00966150 1\n C C9 1 0.26594157 0.30847440 0.41338018 1\n C C10 1 0.76452096 0.80251109 0.41276161 1\n C C11 1 0.43546416 0.06779969 0.82786375 1\n C C12 1 0.12842329 0.22720597 0.68884612 1\n C C13 1 0.82327299 0.52548036 0.68985336 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48656000\n_cell_length_b 4.30581000\n_cell_length_c 4.30708000\n_cell_angle_alpha 99.61872000\n_cell_angle_beta 125.25187000\n_cell_angle_gamma 106.76120000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61319183\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57303070 0.68079687 0.28275261 1\n C C1 1 0.98977894 0.34743393 0.86622679 1\n C C2 1 0.32311227 0.68076726 0.53289345 1\n C C3 1 0.90636403 1.01413021 0.94941928 1\n C C4 1 0.65644560 0.01410059 0.19956012 1\n C C5 1 0.23969736 0.34746354 0.61608595 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46296000\n_cell_length_b 3.39110000\n_cell_length_c 5.84335000\n_cell_angle_alpha 84.79833000\n_cell_angle_beta 114.95933000\n_cell_angle_gamma 111.23480000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.13058763\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63416277 0.20889215 0.62469093 1\n C C1 1 0.94633145 0.27750074 0.90022432 1\n C C2 1 0.89563519 0.37545276 0.30218905 1\n C C3 1 0.91399277 1.01984264 0.49863254 1\n C C4 1 0.61642233 0.56547736 0.42818901 1\n C C5 1 0.58817899 0.30885045 0.02652035 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44464000\n_cell_length_b 4.90400000\n_cell_length_c 9.48314000\n_cell_angle_alpha 111.61734000\n_cell_angle_beta 89.98404000\n_cell_angle_gamma 60.06252000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 89.16555055\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47039411 0.16655332 0.06929887 1\n C C1 1 0.98770462 0.15030385 0.57583253 1\n C C2 1 0.75930818 0.88634348 0.79948880 1\n C C3 1 0.70809759 0.92960056 0.50654650 1\n C C4 1 0.42094921 0.72251562 0.79438986 1\n C C5 1 0.18394920 0.45597728 1.01773748 1\n C C6 1 0.36142362 0.77816673 0.25907898 1\n C C7 1 0.46265443 0.67675620 0.08770123 1\n C C8 1 0.81213709 0.82680978 0.33515258 1\n C C9 1 0.12407460 1.01385135 0.07514797 1\n C C10 1 0.79491000 0.34627479 0.76097905 1\n C C11 1 0.69818877 0.43964505 0.52461896 1\n C C12 1 0.37938556 0.26194019 0.83241595 1\n C C13 1 1.04515642 0.59153989 0.51816214 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46984000\n_cell_length_b 5.18276000\n_cell_length_c 3.23541000\n_cell_angle_alpha 89.42183000\n_cell_angle_beta 112.40492000\n_cell_angle_gamma 90.01089000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.28660875\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21211326 0.33820392 0.14743065 1\n C C1 1 1.03249830 0.11949344 0.78940584 1\n C C2 1 0.02945867 0.55710960 0.78240727 1\n C C3 1 0.85056766 0.33889949 0.42394280 1\n C C4 1 0.52973956 0.70982758 0.78313150 1\n C C5 1 0.53227235 0.96681957 0.78915233 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30750000\n_cell_length_b 3.91633000\n_cell_length_c 5.27336000\n_cell_angle_alpha 74.96357000\n_cell_angle_beta 97.34929000\n_cell_angle_gamma 73.71891000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.82191003\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89222598 0.77879482 0.72508284 1\n C C1 1 0.26653176 0.59285701 0.62205001 1\n C C2 1 0.45321666 0.90953501 0.50416855 1\n C C3 1 0.29470051 1.14855470 -0.00764895 1\n C C4 1 0.89778371 0.47733151 -0.01092974 1\n C C5 1 0.53064681 0.86058729 0.24395634 1\n C C6 1 0.12427027 0.29792742 0.50467830 1\n C C7 1 0.96716300 0.11179658 0.76166518 1\n C C8 1 0.83172583 0.54930910 0.24316604 1\n C C9 1 0.59000718 0.32674366 0.85474793 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64455000\n_cell_length_b 2.44257000\n_cell_length_c 9.02199000\n_cell_angle_alpha 97.75926000\n_cell_angle_beta 108.34165000\n_cell_angle_gamma 109.61937000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.15783848\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08322837 0.57122016 0.14341529 1\n C C1 1 0.46646636 0.47496816 0.57008962 1\n C C2 1 0.38473515 0.81084081 0.32395611 1\n C C3 1 0.69710195 0.39423531 0.17887057 1\n C C4 1 0.01331146 0.91286301 0.89778753 1\n C C5 1 0.77198402 -0.01340646 0.28963594 1\n C C6 1 0.88330442 0.30711759 0.81743246 1\n C C7 1 0.59898425 0.08170376 0.65006547 1\n C C8 1 0.25688496 0.28120329 0.39171824 1\n C C9 1 0.21345008 1.10365899 0.07631918 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46328000\n_cell_length_b 4.44849000\n_cell_length_c 6.83117000\n_cell_angle_alpha 100.96993000\n_cell_angle_beta 117.85202000\n_cell_angle_gamma 95.86055000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.38159158\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71868058 0.24033555 0.70289416 1\n C C1 1 0.21772711 0.10802321 0.73743343 1\n C C2 1 0.18495183 0.74522692 0.18823424 1\n C C3 1 0.87669784 0.83695514 0.96688616 1\n C C4 1 0.17514617 0.08805080 0.18896786 1\n C C5 1 0.77482805 0.27082789 0.25350178 1\n C C6 1 0.75505002 0.52975543 0.61897226 1\n C C7 1 0.18848935 0.82123924 0.82484381 1\n C C8 1 0.76861290 0.61415494 0.25778129 1\n C C9 1 0.06872476 0.51833518 0.47742901 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48501000\n_cell_length_b 4.08691000\n_cell_length_c 4.67797000\n_cell_angle_alpha 83.30868000\n_cell_angle_beta 105.44102000\n_cell_angle_gamma 90.01320000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45919330\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46857933 0.73583664 0.97450252 1\n C C1 1 0.69952386 0.44891790 0.43152492 1\n C C2 1 0.81124608 0.14221411 0.66205602 1\n C C3 1 0.20031238 0.67467251 0.43325083 1\n C C4 1 0.30993979 0.91736329 0.65962768 1\n C C5 1 0.04110474 0.85519273 0.11835461 1\n C C6 1 0.98365429 0.21099098 0.00390426 1\n C C7 1 0.52811653 0.38022104 0.09041947 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46609000\n_cell_length_b 3.30950000\n_cell_length_c 6.52497000\n_cell_angle_alpha 101.34700000\n_cell_angle_beta 82.58802000\n_cell_angle_gamma 76.21469000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.83625051\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40239041 0.90417381 0.38117843 1\n C C1 1 0.54751195 0.40724280 0.66907372 1\n C C2 1 0.07810856 0.71972661 0.04217322 1\n C C3 1 0.97202216 0.67963657 0.66933243 1\n C C4 1 -0.16205942 0.96875165 0.50990940 1\n C C5 1 0.51360127 0.78421411 0.17071448 1\n C C6 1 0.94415642 0.00881433 0.88268798 1\n C C7 1 0.36871055 0.28124532 0.88289363 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45422000\n_cell_length_b 7.98624000\n_cell_length_c 9.49752000\n_cell_angle_alpha 131.24790000\n_cell_angle_beta 95.43011000\n_cell_angle_gamma 94.00232000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 137.14224034\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.28476167 0.30979178 0.44835262 1\n C C1 1 1.18952190 0.19000882 0.43867615 1\n C C2 1 0.66981128 0.39929651 0.18867663 1\n C C3 1 0.72346568 0.43602663 0.37955001 1\n C C4 1 0.29252499 0.58520239 0.48266751 1\n C C5 1 0.10467986 0.08369733 0.63032515 1\n C C6 1 0.79978612 0.41547908 0.73759546 1\n C C7 1 -0.08823948 0.52177717 -0.06401234 1\n C C8 1 -0.24456899 0.66810399 0.31788288 1\n C C9 1 0.02060036 1.05810312 0.91937312 1\n C C10 1 0.55370197 0.92887759 0.03785391 1\n C C11 1 0.33684127 0.73491679 0.44119488 1\n C C12 1 0.62592955 0.78761678 0.23707302 1\n C C13 1 0.54609533 0.97803033 0.59368864 1\n C C14 1 0.36474600 0.66638013 0.68669401 1\n C C15 1 0.22422919 0.27323335 0.64260730 1\n C C16 1 1.10947788 0.28114385 0.07674317 1\n C C17 1 1.14184391 -0.07078857 0.26921199 1\n C C18 1 1.08779491 -0.07133196 0.10808733 1\n C C19 1 0.82728379 0.54164229 0.66884181 1\n C C20 1 0.46543803 0.58948900 1.02860889 1\n C C21 1 0.47839344 0.92385910 0.87339245 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52458000\n_cell_length_b 4.44888000\n_cell_length_c 4.36976000\n_cell_angle_alpha 73.85791000\n_cell_angle_beta 85.81429000\n_cell_angle_gamma 80.87429000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.52592926\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82681795 0.88336854 0.93917244 1\n C C1 1 0.30846467 0.35810086 0.66678146 1\n C C2 1 -0.25124501 0.86316043 0.57981392 1\n C C3 1 0.78748447 0.24888358 0.87350075 1\n C C4 1 0.58647960 0.37827827 0.14178709 1\n C C5 1 0.28600306 0.70770311 0.48667068 1\n C C6 1 0.53582181 0.19384924 0.42963092 1\n C C7 1 0.36376336 0.72235816 0.11878324 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.04816000\n_cell_length_b 4.11339000\n_cell_length_c 5.53222000\n_cell_angle_alpha 58.93029000\n_cell_angle_beta 47.49508000\n_cell_angle_gamma 74.20840000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.00484363\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64597879 0.09705385 0.93653060 1\n C C1 1 0.30100203 0.74695281 0.91594997 1\n C C2 1 0.65061053 0.09265038 0.20033230 1\n C C3 1 0.14624811 0.59745753 0.44704690 1\n C C4 1 0.90298329 0.34719323 1.07239923 1\n C C5 1 0.99531324 0.44284026 0.22124257 1\n C C6 1 0.15063107 0.59198158 0.68986738 1\n C C7 1 0.39358681 0.84250821 0.06460626 1\n C C8 1 0.90214075 0.35158488 0.55582258 1\n C C9 1 0.39433649 0.83832708 0.58118522 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42709000\n_cell_length_b 4.70683000\n_cell_length_c 8.43811000\n_cell_angle_alpha 128.10213000\n_cell_angle_beta 87.98831000\n_cell_angle_gamma 122.38151000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.38455334\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87472131 0.35743017 1.05309899 1\n C C1 1 0.12474515 0.10742860 0.30312978 1\n C C2 1 0.62468084 0.60742374 -0.19691753 1\n C C3 1 0.87498519 0.35718063 0.38572517 1\n C C4 1 0.12494462 0.10717515 0.63569545 1\n C C5 1 0.62494472 0.60717420 0.13570865 1\n C C6 1 0.37492087 0.85717576 0.88567786 1\n C C7 1 0.37472141 0.85742922 0.55311220 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46683000\n_cell_length_b 3.51491000\n_cell_length_c 8.92121000\n_cell_angle_alpha 53.75460000\n_cell_angle_beta 75.54930000\n_cell_angle_gamma 65.02296000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.55019605\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03368275 -0.00144413 0.62711391 1\n C C1 1 0.71112384 1.04307569 0.35740529 1\n C C2 1 0.18882657 0.64958665 0.95092798 1\n C C3 1 0.87757093 0.37605233 0.95093363 1\n C C4 1 0.18911364 0.43060270 0.76360540 1\n C C5 1 1.03341103 0.80771676 0.08754376 1\n C C6 1 0.53363122 0.62801619 0.20720387 1\n C C7 1 0.35629421 0.76227051 0.35737411 1\n C C8 1 0.53386391 0.17775821 0.50747552 1\n C C9 1 0.87761431 0.15723679 0.76358503 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43082000\n_cell_length_b 5.79699000\n_cell_length_c 4.85520000\n_cell_angle_alpha 102.88529000\n_cell_angle_beta 120.14884000\n_cell_angle_gamma 88.77014000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.33818763\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02984646 0.51210724 0.33257080 1\n C C1 1 0.07430642 0.01018198 0.01694874 1\n C C2 1 0.07416160 0.01017596 0.51694405 1\n C C3 1 0.69607018 0.51115581 0.49929272 1\n C C4 1 0.40783874 0.01109893 0.85020451 1\n C C5 1 0.69618910 0.51114712 0.99940203 1\n C C6 1 0.02994860 0.51210514 0.83268653 1\n C C7 1 0.40791150 0.01109432 0.35013822 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36830000\n_cell_length_b 3.46705000\n_cell_length_c 6.55588000\n_cell_angle_alpha 98.32345000\n_cell_angle_beta 81.73766000\n_cell_angle_gamma 92.20229000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.95512277\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73808444 0.38516895 1.02618761 1\n C C1 1 0.08512739 0.06817753 0.02916021 1\n C C2 1 0.49934139 0.17709062 0.68152434 1\n C C3 1 0.19411261 0.13107629 0.25289185 1\n C C4 1 0.54775170 0.45175284 0.25134022 1\n C C5 1 0.78502144 0.41456814 0.59071988 1\n C C6 1 0.89415077 0.43860669 0.36962708 1\n C C7 1 0.00712578 0.67544122 0.70847907 1\n C C8 1 0.04861398 0.65605166 0.92558059 1\n C C9 1 0.39271262 0.30452782 0.90585744 1\n C C10 1 0.26650314 0.89237299 0.58458387 1\n C C11 1 0.23355604 0.77304855 0.35686275 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42592000\n_cell_length_b 4.87168000\n_cell_length_c 4.22138000\n_cell_angle_alpha 89.29968000\n_cell_angle_beta 89.99282000\n_cell_angle_gamma 119.88789000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.25001030\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77552133 0.42370796 0.88371121 1\n C C1 1 -0.23003894 -0.08109977 -0.03044313 1\n C C2 1 0.12244921 0.77168131 0.82220079 1\n C C3 1 0.11876390 0.26736043 -0.09083943 1\n C C4 1 0.18139676 0.83093958 0.47397077 1\n C C5 1 0.70759584 0.85740380 0.31757840 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.62235000\n_cell_length_b 2.47124000\n_cell_length_c 7.68545000\n_cell_angle_alpha 90.00653000\n_cell_angle_beta 91.90401000\n_cell_angle_gamma 90.10774000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.77763562\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96757314 0.15856101 0.23846348 1\n C C1 1 0.49316896 0.65915198 0.46306081 1\n C C2 1 0.49032640 0.15933277 0.56666528 1\n C C3 1 0.44364236 1.15912759 0.73793815 1\n C C4 1 0.44093600 0.65905254 0.84154901 1\n C C5 1 0.95925836 0.65864232 0.96243798 1\n C C6 1 -0.02528963 0.65870105 0.34216020 1\n C C7 1 0.96616550 0.15859805 0.06606959 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45007000\n_cell_length_b 5.43392000\n_cell_length_c 5.76844000\n_cell_angle_alpha 112.51290000\n_cell_angle_beta 115.13012000\n_cell_angle_gamma 90.00772000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.00253172\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28920664 0.67157109 0.52419255 1\n C C1 1 1.21914475 0.96084348 0.95301233 1\n C C2 1 0.60459202 0.78363278 0.83799367 1\n C C3 1 0.53434086 0.07330927 0.26672681 1\n C C4 1 0.12692525 0.19415943 0.86191876 1\n C C5 1 0.48253314 0.23647275 0.71753834 1\n C C6 1 0.17553906 0.12610951 0.40861122 1\n C C7 1 0.64624374 0.61778610 0.38204765 1\n C C8 1 0.33916865 0.50715009 1.07288996 1\n C C9 1 0.69529287 0.54981892 0.92862360 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48678000\n_cell_length_b 6.21184000\n_cell_length_c 5.72427000\n_cell_angle_alpha 113.19673000\n_cell_angle_beta 89.98113000\n_cell_angle_gamma 78.44174000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.31988973\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12868729 0.84790551 0.89751709 1\n C C1 1 1.02361183 1.06220217 0.84278839 1\n C C2 1 0.35227949 0.40681437 0.92608969 1\n C C3 1 0.78185071 0.54505175 0.50872761 1\n C C4 1 0.45776867 0.19203207 0.98085996 1\n C C5 1 0.11929968 -0.13049786 0.36143332 1\n C C6 1 1.05077012 0.99867076 0.18623835 1\n C C7 1 0.47058523 0.15915838 0.22078374 1\n C C8 1 0.70330309 0.70007014 0.82053392 1\n C C9 1 1.42786669 0.25568680 0.63721848 1\n C C10 1 0.36166092 0.38522478 0.46186279 1\n C C11 1 -0.30063923 0.71047215 0.31558177 1\n C C12 1 0.00798952 0.09497882 0.60271045 1\n C C13 1 0.77836449 0.55442437 0.00298875 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44205000\n_cell_length_b 4.18927000\n_cell_length_c 6.55770000\n_cell_angle_alpha 109.46101000\n_cell_angle_beta 100.66483000\n_cell_angle_gamma 90.03258000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.02213581\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55258408 -0.11817437 0.68453408 1\n C C1 1 1.05931664 0.73112992 0.69664320 1\n C C2 1 0.53926527 0.20673408 0.64542085 1\n C C3 1 0.86963846 0.93319370 0.29596208 1\n C C4 1 0.76476929 0.68390886 0.08530321 1\n C C5 1 0.21024069 0.57058690 0.97955185 1\n C C6 1 0.42332565 1.04495112 0.40205002 1\n C C7 1 0.08438732 0.40626798 0.73601301 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26468000\n_cell_length_b 3.42598000\n_cell_length_c 4.74006000\n_cell_angle_alpha 65.36583000\n_cell_angle_beta 90.01239000\n_cell_angle_gamma 90.04720000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.19113217\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15753333 0.31052527 0.00302531 1\n C C1 1 1.00658294 0.50630324 0.66896133 1\n C C2 1 0.78527846 0.16922340 0.19880735 1\n C C3 1 0.65724320 0.16919278 0.69877027 1\n C C4 1 0.93694682 0.97431913 0.53292385 1\n C C5 1 0.43743585 0.50611441 0.16905841 1\n C C6 1 0.28523973 0.31081094 0.50289287 1\n C C7 1 0.50603297 -0.02572267 1.03283791 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44972000\n_cell_length_b 3.36593000\n_cell_length_c 7.72279000\n_cell_angle_alpha 105.34227000\n_cell_angle_beta 89.99407000\n_cell_angle_gamma 111.28656000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.89284358\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15044125 0.75083617 0.13109388 1\n C C1 1 0.35744108 0.16199422 0.08225994 1\n C C2 1 0.59723127 0.64344556 0.22209168 1\n C C3 1 0.84017332 1.12828835 0.79428880 1\n C C4 1 0.29642824 0.04356187 0.70266061 1\n C C5 1 0.20857988 -0.13259296 0.51024113 1\n C C6 1 0.66619271 0.78437481 0.41821883 1\n C C7 1 0.91014515 0.26852068 0.99050522 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46260000\n_cell_length_b 4.26909000\n_cell_length_c 6.60990000\n_cell_angle_alpha 101.48402000\n_cell_angle_beta 79.23745000\n_cell_angle_gamma 89.98783000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.85073325\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44307748 0.50925158 0.20563418 1\n C C1 1 0.55947583 0.06600576 0.96515950 1\n C C2 1 0.92623315 0.69197229 0.54155908 1\n C C3 1 0.53293521 0.42893980 0.96191669 1\n C C4 1 0.38052179 0.88384678 0.63084027 1\n C C5 1 0.06634781 0.53336648 0.86013381 1\n C C6 1 0.03984569 0.38902235 0.61983293 1\n C C7 1 0.84373509 1.04147991 0.31062643 1\n C C8 1 0.12740273 0.89688800 0.86424522 1\n C C9 1 -0.09141894 0.67833152 0.30662327 1\n C C10 1 0.57389952 0.18633350 0.55091100 1\n C C11 1 0.41032495 1.14622064 0.20859672 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48412000\n_cell_length_b 4.67514000\n_cell_length_c 4.08559000\n_cell_angle_alpha 83.31715000\n_cell_angle_beta 89.99789000\n_cell_angle_gamma 105.32674000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.42648223\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.14632031 0.18406116 0.24147729 1\n C C1 1 -0.02271815 0.84335269 0.17333879 1\n C C2 1 0.49009607 0.87110392 0.64755937 1\n C C3 1 0.76542393 0.41284504 0.71040491 1\n C C4 1 0.26693695 0.41565172 -0.06468803 1\n C C5 1 0.43558271 0.75735930 0.00354159 1\n C C6 1 -0.08042230 0.72727822 0.52880417 1\n C C7 1 0.64695908 0.18562055 0.46822449 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.49970000\n_cell_length_b 4.56016000\n_cell_length_c 6.42495000\n_cell_angle_alpha 94.40475000\n_cell_angle_beta 85.67556000\n_cell_angle_gamma 94.54491000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 130.71402324\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28823411 1.04856484 0.66314992 1\n C C1 1 0.73163731 0.26500875 0.90976120 1\n C C2 1 0.89745570 0.06251301 -0.00354537 1\n C C3 1 0.28598863 0.28038643 0.34618546 1\n C C4 1 0.18173623 0.25249719 0.55165049 1\n C C5 1 0.73491478 0.83318117 0.39345144 1\n C C6 1 0.94085196 0.62087324 0.40897866 1\n C C7 1 0.32478148 0.72544415 0.90927944 1\n C C8 1 -0.04028934 0.45466499 0.58529349 1\n C C9 1 0.54411565 0.67288708 0.74463460 1\n C C10 1 1.15105691 0.51012362 0.25823335 1\n C C11 1 0.52602792 0.86290630 0.58142647 1\n C C12 1 0.75818855 0.46570962 0.75342815 1\n C C13 1 0.47984094 0.14533059 0.20879974 1\n C C14 1 0.72997583 0.98457147 0.20303130 1\n C C15 1 0.43829730 0.25946564 0.01306097 1\n C C16 1 0.28164616 0.53066363 0.05695624 1\n C C17 1 0.20436587 0.00879979 -0.10588053 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46070000\n_cell_length_b 5.70596000\n_cell_length_c 8.56747000\n_cell_angle_alpha 89.71497000\n_cell_angle_beta 81.74516000\n_cell_angle_gamma 64.44650000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 107.18301628\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22017584 0.13472500 0.59884262 1\n C C1 1 1.28673476 0.74038860 0.25435173 1\n C C2 1 0.02568723 -0.06528270 0.39237208 1\n C C3 1 0.28976695 0.82433680 0.07932439 1\n C C4 1 0.36691339 0.38111792 0.81081492 1\n C C5 1 0.47396322 0.86200829 0.63712435 1\n C C6 1 0.34347871 0.10337391 0.41861667 1\n C C7 1 0.13750650 1.03742236 0.95583214 1\n C C8 1 0.42062245 0.48116423 0.50540361 1\n C C9 1 1.11626743 0.76573789 0.54711651 1\n C C10 1 0.18255656 0.42643301 0.09005317 1\n C C11 1 1.04926703 0.40181482 0.40607053 1\n C C12 1 0.54354233 0.28944243 0.64266354 1\n C C13 1 0.06751774 0.66080805 0.85075526 1\n C C14 1 0.96657118 0.67680450 0.02181232 1\n C C15 1 0.97346089 0.55143793 0.25773562 1\n C C16 1 0.46064797 0.21232868 0.95647088 1\n C C17 1 0.43261632 0.81586978 0.81039647 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.16350000\n_cell_length_b 6.63158000\n_cell_length_c 7.42590000\n_cell_angle_alpha 104.42883000\n_cell_angle_beta 108.95073000\n_cell_angle_gamma 116.54396000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 116.62415590\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10682953 0.64419629 0.06367501 1\n C C1 1 0.23115761 0.31393925 0.33146556 1\n C C2 1 0.36668034 0.87992821 0.11509409 1\n C C3 1 -0.20819897 0.09896074 0.94398672 1\n C C4 1 0.79669148 0.09632442 0.31223694 1\n C C5 1 0.79486502 0.09629193 0.49402767 1\n C C6 1 0.14850811 0.27168808 0.71665360 1\n C C7 1 0.69866753 0.54991721 0.19275826 1\n C C8 1 0.36131129 0.87996079 0.92494683 1\n C C9 1 0.78615604 0.10142537 0.76161513 1\n C C10 1 0.96768559 0.68635919 0.42180351 1\n C C11 1 0.69751998 0.55011982 0.51539969 1\n C C12 1 0.22801009 0.31356070 0.14157966 1\n C C13 1 -0.37872918 0.50884373 0.83454035 1\n C C14 1 0.43293164 0.92567904 0.53885404 1\n C C15 1 0.88993216 0.64502674 0.74066254 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54519000\n_cell_length_b 2.45047000\n_cell_length_c 6.96506000\n_cell_angle_alpha 68.96246000\n_cell_angle_beta 102.70584000\n_cell_angle_gamma 94.47529000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.55207862\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03659642 0.19493488 0.51769492 1\n C C1 1 0.82568256 0.62499834 0.08076761 1\n C C2 1 -0.12316888 1.02002473 0.18819484 1\n C C3 1 -0.01648628 0.79970766 0.41017927 1\n C C4 1 0.70879334 0.85647344 0.85096046 1\n C C5 1 0.15496734 -0.03713944 0.74754010 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49383000\n_cell_length_b 3.41833000\n_cell_length_c 7.16287000\n_cell_angle_alpha 117.68918000\n_cell_angle_beta 80.11731000\n_cell_angle_gamma 111.32887000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.36534048\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23955381 0.77976383 0.44919956 1\n C C1 1 0.65155847 0.26434466 0.11020024 1\n C C2 1 0.23834754 0.33331134 0.00429487 1\n C C3 1 0.46297951 0.28154332 0.50573285 1\n C C4 1 1.04956937 0.55912690 0.61046677 1\n C C5 1 0.05025083 0.79653682 0.84438369 1\n C C6 1 0.65275222 0.50192049 0.34413387 1\n C C7 1 0.46376595 0.72811304 -0.04939695 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38236000\n_cell_length_b 3.63121000\n_cell_length_c 3.88833000\n_cell_angle_alpha 109.63642000\n_cell_angle_beta 97.23124000\n_cell_angle_gamma 98.80408000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.63538629\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.16451663 0.16100327 0.75555494 1\n C C1 1 0.52686595 0.00864937 0.44863579 1\n C C2 1 0.33390877 0.22100204 0.25654593 1\n C C3 1 0.33354733 0.60202211 0.25608877 1\n C C4 1 1.02860464 0.56774340 0.94852727 1\n C C5 1 1.02829204 0.94886051 -0.05194561 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52316000\n_cell_length_b 4.45638000\n_cell_length_c 4.81133000\n_cell_angle_alpha 105.79056000\n_cell_angle_beta 116.79696000\n_cell_angle_gamma 82.41049000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.46452615\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54595669 0.15957782 0.13261943 1\n C C1 1 -0.05552328 0.32696404 0.05603332 1\n C C2 1 0.80017073 0.35840031 0.72309473 1\n C C3 1 -0.05090753 0.66706595 0.23452002 1\n C C4 1 0.87962160 0.69900726 0.75321034 1\n C C5 1 0.61046150 0.78752789 0.43487317 1\n C C6 1 0.69027313 0.12859479 0.46588290 1\n C C7 1 0.54041965 0.81973134 0.95315878 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45431000\n_cell_length_b 3.34014000\n_cell_length_c 7.43769000\n_cell_angle_alpha 96.83569000\n_cell_angle_beta 80.51611000\n_cell_angle_gamma 111.64370000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.78586401\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37862121 0.25400581 0.26776386 1\n C C1 1 0.69358134 0.50643711 0.89235214 1\n C C2 1 1.06538312 0.34153201 0.98226366 1\n C C3 1 -0.05968317 0.94481679 0.83669589 1\n C C4 1 0.56575925 0.10657584 0.74573819 1\n C C5 1 0.24572438 0.17977406 0.45848046 1\n C C6 1 0.94306244 0.29244847 0.17773141 1\n C C7 1 0.68472553 0.14768450 0.54934079 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53302000\n_cell_length_b 3.76709000\n_cell_length_c 5.05308000\n_cell_angle_alpha 90.18822000\n_cell_angle_beta 89.93273000\n_cell_angle_gamma 90.02430000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.21676933\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26112405 0.46710840 0.88902437 1\n C C1 1 0.26088181 0.59206655 0.61243897 1\n C C2 1 0.26231299 0.78990365 1.07339362 1\n C C3 1 0.26103910 -0.01919131 0.61309149 1\n C C4 1 0.76172195 0.48511373 0.45250710 1\n C C5 1 0.26144467 1.11071522 0.88944909 1\n C C6 1 0.76217241 0.78852851 0.24394957 1\n C C7 1 0.76191460 0.08700846 0.45356747 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.89193000\n_cell_length_b 3.63568000\n_cell_length_c 4.81714000\n_cell_angle_alpha 112.13133000\n_cell_angle_beta 91.52214000\n_cell_angle_gamma 109.54268000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.53307970\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70163038 0.72400598 0.85789642 1\n C C1 1 -0.29782521 0.31742569 0.66632143 1\n C C2 1 0.69930823 0.10344776 0.85702254 1\n C C3 1 0.70708702 0.37963692 0.16656695 1\n C C4 1 0.70510438 0.75924578 0.16568470 1\n C C5 1 0.70430761 0.16583897 0.35738166 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48142000\n_cell_length_b 3.68913000\n_cell_length_c 4.21757000\n_cell_angle_alpha 104.75273000\n_cell_angle_beta 90.01785000\n_cell_angle_gamma 109.65849000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00283320\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67821012 0.81144005 0.56182655 1\n C C1 1 0.09987222 0.65435676 0.69260759 1\n C C2 1 0.55410401 0.56879775 0.18892393 1\n C C3 1 0.35711830 0.17092157 0.26431797 1\n C C4 1 0.87616290 0.20905047 0.48614455 1\n C C5 1 1.13238525 0.72540359 1.05798801 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45570000\n_cell_length_b 3.77936000\n_cell_length_c 11.54643000\n_cell_angle_alpha 70.58146000\n_cell_angle_beta 83.79245000\n_cell_angle_gamma 108.91764000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 92.76503623\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52529009 0.14904635 0.84135706 1\n C C1 1 0.63190446 0.15111131 0.62529888 1\n C C2 1 0.05921740 0.43655445 0.05979246 1\n C C3 1 0.67527996 0.61677273 0.00698987 1\n C C4 1 0.47761287 0.73456848 0.52009246 1\n C C5 1 0.73134364 0.43449971 0.70857200 1\n C C6 1 0.34186924 0.34683193 0.40738388 1\n C C7 1 -0.00121380 0.61034622 0.35674361 1\n C C8 1 0.38819449 0.69773220 0.65784930 1\n C C9 1 1.25234291 0.30981726 0.54521061 1\n C C10 1 0.82021451 0.07038035 0.16969313 1\n C C11 1 0.09853515 0.89329756 0.44008840 1\n C C12 1 0.20922324 -0.09970391 0.22431399 1\n C C13 1 0.91421323 -0.01923434 0.89645803 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.72975000\n_cell_length_b 5.26467000\n_cell_length_c 4.15698000\n_cell_angle_alpha 119.97944000\n_cell_angle_beta 120.20251000\n_cell_angle_gamma 65.41099000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.62701544\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24114828 0.11627846 0.49420388 1\n C C1 1 0.62345620 0.11659519 -0.12368359 1\n C C2 1 0.18291860 0.61455610 0.93419928 1\n C C3 1 0.02909297 0.92480118 0.08925035 1\n C C4 1 0.97152464 0.42327241 0.52943332 1\n C C5 1 0.58910802 0.42304316 0.14748435 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43012000\n_cell_length_b 3.15786000\n_cell_length_c 5.78706000\n_cell_angle_alpha 86.48266000\n_cell_angle_beta 97.24274000\n_cell_angle_gamma 80.87747000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34794677\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28813926 0.69237909 0.38684922 1\n C C1 1 0.95510545 0.35792594 0.72021842 1\n C C2 1 0.62116668 0.02818304 1.05415326 1\n C C3 1 0.06462165 0.13967443 0.94288854 1\n C C4 1 0.73170914 0.80277863 0.27532971 1\n C C5 1 0.39850103 0.46912586 0.60866176 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.23382000\n_cell_length_b 2.46965000\n_cell_length_c 5.18445000\n_cell_angle_alpha 90.01236000\n_cell_angle_beta 90.71962000\n_cell_angle_gamma 67.57277000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.26993949\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31387897 0.74679074 0.61981973 1\n C C1 1 1.03686251 0.38500470 0.62044853 1\n C C2 1 0.68020978 0.56218800 0.83904981 1\n C C3 1 0.67933641 0.06251259 0.99174627 1\n C C4 1 0.66979890 0.06776836 0.24860405 1\n C C5 1 0.66971933 0.56805481 0.40129041 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52410000\n_cell_length_b 4.20635000\n_cell_length_c 4.98690000\n_cell_angle_alpha 82.59299000\n_cell_angle_beta 108.62327000\n_cell_angle_gamma 107.05069000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.93299756\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.29052803 0.73172225 0.77146150 1\n C C1 1 0.67527520 0.16889770 1.02877415 1\n C C2 1 0.25769321 0.18568887 0.52010330 1\n C C3 1 0.35892262 0.97139806 0.77540437 1\n C C4 1 0.95284686 1.01579615 0.27553177 1\n C C5 1 0.43770191 0.54826629 0.49208504 1\n C C6 1 0.72410881 0.50861454 1.02718392 1\n C C7 1 0.88565481 0.65584243 0.30713986 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43220000\n_cell_length_b 4.63043000\n_cell_length_c 5.84986000\n_cell_angle_alpha 112.80374000\n_cell_angle_beta 78.78579000\n_cell_angle_gamma 106.46516000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.97445549\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55357834 0.75877648 0.80174402 1\n C C1 1 0.30348467 0.00863195 0.55157507 1\n C C2 1 0.97076972 0.67589910 0.88597654 1\n C C3 1 0.47082986 0.17618795 0.38611742 1\n C C4 1 0.80342681 0.50836782 1.05144361 1\n C C5 1 0.05361907 0.25904272 0.30189269 1\n C C6 1 0.72097817 0.92672981 0.63655555 1\n C C7 1 1.22096536 0.42664488 0.13649350 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47848000\n_cell_length_b 2.47793000\n_cell_length_c 6.31279000\n_cell_angle_alpha 78.67388000\n_cell_angle_beta 78.67739000\n_cell_angle_gamma 59.98557000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.69670139\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69365649 0.39426492 0.51749043 1\n C C1 1 0.33142841 0.03372330 0.60177887 1\n C C2 1 0.24611521 0.95087959 0.85275560 1\n C C3 1 0.77690651 0.47754492 0.26635138 1\n C C4 1 0.55148234 0.25629706 0.93580725 1\n C C5 1 0.47014114 0.17283530 0.18289907 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48102000\n_cell_length_b 3.68833000\n_cell_length_c 4.21877000\n_cell_angle_alpha 75.14866000\n_cell_angle_beta 90.02582000\n_cell_angle_gamma 70.36171000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98568740\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.31073488 0.32347115 0.19509351 1\n C C1 1 0.11411769 0.72123752 0.27067745 1\n C C2 1 0.63369544 0.68238311 0.49264555 1\n C C3 1 -0.14236006 0.23679585 0.69902694 1\n C C4 1 0.88883486 0.16702806 0.06419420 1\n C C5 1 0.43618009 1.07957432 0.56845016 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44531000\n_cell_length_b 3.35432000\n_cell_length_c 9.44276000\n_cell_angle_alpha 82.51617000\n_cell_angle_beta 82.52746000\n_cell_angle_gamma 68.58981000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.20749043\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03391879 0.89431802 0.22911698 1\n C C1 1 0.17458016 0.05815873 0.78262812 1\n C C2 1 0.40977294 0.62345773 0.74519876 1\n C C3 1 0.55087927 0.63620619 0.44544254 1\n C C4 1 1.02885955 0.05618058 0.08237389 1\n C C5 1 0.54344456 0.80305793 0.29938259 1\n C C6 1 0.02136239 0.47431747 0.67197006 1\n C C7 1 0.56302458 0.20708468 0.85576662 1\n C C8 1 0.52851098 0.12816505 0.01087021 1\n C C9 1 0.05263710 0.56080732 0.51694034 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67809000\n_cell_length_b 4.31063000\n_cell_length_c 4.66594000\n_cell_angle_alpha 93.28776000\n_cell_angle_beta 103.68720000\n_cell_angle_gamma 136.90955000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.57861895\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71011681 0.77752086 0.88029786 1\n C C1 1 0.02187826 0.77703947 0.87530936 1\n C C2 1 0.46815560 0.77600764 0.63800426 1\n C C3 1 0.70499459 0.77681818 0.19194978 1\n C C4 1 0.47140477 0.77430977 0.32516494 1\n C C5 1 0.15605041 -0.22398744 0.64274068 1\n C C6 1 0.99523399 0.77572119 0.35280192 1\n C C7 1 0.18156877 0.77585634 0.16484060 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42835000\n_cell_length_b 3.03874000\n_cell_length_c 5.89306000\n_cell_angle_alpha 94.39369000\n_cell_angle_beta 102.19401000\n_cell_angle_gamma 89.53471000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.37813663\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97160407 0.60368942 0.36019456 1\n C C1 1 0.30493550 0.27025303 1.02689478 1\n C C2 1 0.52851927 -0.28939501 0.47299423 1\n C C3 1 0.86182167 0.37734952 0.13964313 1\n C C4 1 0.63830333 -0.06324172 0.69359756 1\n C C5 1 0.19520256 1.04379505 0.80637384 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.21199000\n_cell_length_b 2.61841000\n_cell_length_c 6.51801000\n_cell_angle_alpha 58.49092000\n_cell_angle_beta 75.34714000\n_cell_angle_gamma 89.52307000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.62049605\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61756245 0.24223041 0.03400944 1\n C C1 1 0.41378333 -0.05198602 0.50364094 1\n C C2 1 0.36349723 0.21237164 0.24935854 1\n C C3 1 0.22568401 0.27883323 0.62935808 1\n C C4 1 1.02270047 -0.02628271 0.29029771 1\n C C5 1 0.16052367 0.90703674 0.91040303 1\n C C6 1 0.46693612 0.79273089 -0.00175683 1\n C C7 1 0.76863587 0.94373695 0.50578606 1\n C C8 1 -0.08023278 0.39373186 0.54107692 1\n C C9 1 0.97252242 0.23754750 0.03613161 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43056000\n_cell_length_b 5.57037000\n_cell_length_c 4.20173000\n_cell_angle_alpha 87.90743000\n_cell_angle_beta 90.01447000\n_cell_angle_gamma 88.42175000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.82817262\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94924623 0.48998648 0.55952939 1\n C C1 1 0.44919871 0.49016688 0.39218510 1\n C C2 1 -0.05202259 -0.01689110 0.82043234 1\n C C3 1 0.94792988 0.98328930 0.15308806 1\n C C4 1 0.44797741 -0.01689110 0.32043234 1\n C C5 1 0.44924623 0.48998648 0.05952939 1\n C C6 1 0.44792988 -0.01671070 0.65308806 1\n C C7 1 -0.05080129 0.49016688 0.89218510 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48095000\n_cell_length_b 4.84162000\n_cell_length_c 7.37834000\n_cell_angle_alpha 57.36753000\n_cell_angle_beta 70.34174000\n_cell_angle_gamma 75.17369000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.97635888\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45550496 0.99470710 0.93603853 1\n C C1 1 -0.22313623 0.69730844 0.26421067 1\n C C2 1 1.03389227 0.12575115 0.29220901 1\n C C3 1 0.77686377 0.69730844 0.76421067 1\n C C4 1 0.25746068 0.91941535 0.17274407 1\n C C5 1 -0.42499183 0.62152560 1.00095243 1\n C C6 1 0.25746068 0.91941535 0.67274407 1\n C C7 1 0.45550496 -0.00529290 0.43603853 1\n C C8 1 0.99704356 0.49065991 0.14484199 1\n C C9 1 0.57500817 0.62152560 0.50095243 1\n C C10 1 1.03389227 0.12575115 0.79220901 1\n C C11 1 0.99704356 0.49065991 0.64484199 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43165000\n_cell_length_b 6.00234000\n_cell_length_c 4.20125000\n_cell_angle_alpha 71.24365000\n_cell_angle_beta 89.99552000\n_cell_angle_gamma 100.66812000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.94256953\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44122526 0.51144289 0.10577327 1\n C C1 1 -0.05874836 0.51155292 0.27297508 1\n C C2 1 0.68960421 0.01127362 0.56283122 1\n C C3 1 0.18960421 1.01127362 1.06283122 1\n C C4 1 0.94122526 0.51144289 0.60577327 1\n C C5 1 0.18965954 0.01150587 0.72997032 1\n C C6 1 0.68965954 1.01150587 0.22997032 1\n C C7 1 0.44125164 0.51155292 0.77297508 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68138000\n_cell_length_b 4.86006000\n_cell_length_c 4.86160000\n_cell_angle_alpha 79.33420000\n_cell_angle_beta 76.94078000\n_cell_angle_gamma 57.89880000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.55503419\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72860015 0.72383087 0.02621575 1\n C C1 1 0.85269841 0.55561000 0.27183714 1\n C C2 1 0.63093254 0.70035485 0.54791861 1\n C C3 1 0.65220031 0.25105757 0.85108693 1\n C C4 1 1.09080309 0.20566350 0.80183442 1\n C C5 1 0.39871075 0.52377382 0.70127602 1\n C C6 1 0.19810473 0.22144805 0.28066828 1\n C C7 1 0.32254858 1.05309257 0.52628648 1\n C C8 1 0.41999015 0.07541201 1.00582102 1\n C C9 1 -0.04028521 0.56947094 0.75230125 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47264000\n_cell_length_b 3.23497000\n_cell_length_c 6.09932000\n_cell_angle_alpha 58.21275000\n_cell_angle_beta 78.25087000\n_cell_angle_gamma 67.44619000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.29850830\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73371188 0.25645466 0.73511902 1\n C C1 1 0.05135086 0.24938356 0.10701656 1\n C C2 1 0.37353384 0.97814128 0.73529105 1\n C C3 1 0.55180461 0.40193063 0.95384282 1\n C C4 1 0.55440790 0.83323705 0.51621572 1\n C C5 1 0.05495421 0.98527761 0.36326243 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.10828000\n_cell_length_b 5.66528000\n_cell_length_c 4.71734000\n_cell_angle_alpha 50.33595000\n_cell_angle_beta 60.87089000\n_cell_angle_gamma 41.09787000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.03231001\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89382657 0.61331438 0.04371198 1\n C C1 1 0.22614569 -0.05346648 1.04356551 1\n C C2 1 0.89382882 0.94664747 0.37704144 1\n C C3 1 0.22613877 0.27985900 0.37689535 1\n C C4 1 0.22614345 0.61320043 0.71023606 1\n C C5 1 0.89383349 0.27998890 0.71038214 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46798000\n_cell_length_b 3.37759000\n_cell_length_c 5.74881000\n_cell_angle_alpha 78.60036000\n_cell_angle_beta 64.81469000\n_cell_angle_gamma 67.94368000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.15086486\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33260165 1.01766111 0.64356124 1\n C C1 1 1.02037163 0.09461320 0.91766035 1\n C C2 1 0.29839966 -0.12183446 0.24736796 1\n C C3 1 1.01016466 0.70614471 0.12249053 1\n C C4 1 0.98163604 0.96277195 0.52076089 1\n C C5 1 0.30893407 0.26557809 1.04267184 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47494000\n_cell_length_b 4.29226000\n_cell_length_c 4.81393000\n_cell_angle_alpha 63.39262000\n_cell_angle_beta 74.93643000\n_cell_angle_gamma 89.62295000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.79326827\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80001176 0.67319100 0.71447529 1\n C C1 1 -0.01276993 0.86025649 0.34031546 1\n C C2 1 0.05139502 0.25639702 0.21451422 1\n C C3 1 1.23827227 0.44324199 0.84036362 1\n C C4 1 1.30019099 0.17332346 0.71445775 1\n C C5 1 0.73843489 -0.05665274 0.84026680 1\n C C6 1 0.48750715 0.36029973 0.34026688 1\n C C7 1 0.55143385 0.75645704 0.21442238 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43200000\n_cell_length_b 3.18821000\n_cell_length_c 6.41462000\n_cell_angle_alpha 69.84652000\n_cell_angle_beta 79.09174000\n_cell_angle_gamma 69.00514000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.46918938\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65661640 0.28943877 0.15124235 1\n C C1 1 0.54678397 0.28748704 0.37341663 1\n C C2 1 0.88025904 0.28714065 0.70689684 1\n C C3 1 0.32358328 0.28833589 0.81843781 1\n C C4 1 -0.01040559 1.29001831 0.48455104 1\n C C5 1 0.21402610 0.28565845 1.04073663 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42669000\n_cell_length_b 4.22453000\n_cell_length_c 4.22882000\n_cell_angle_alpha 93.62672000\n_cell_angle_beta 90.02538000\n_cell_angle_gamma 90.07309000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.26541445\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55017576 0.77928629 0.03527210 1\n C C1 1 -0.44993459 0.42925571 -0.02538252 1\n C C2 1 1.05042762 -0.13974822 0.54284751 1\n C C3 1 0.05022013 0.92173178 0.89291601 1\n C C4 1 0.04987448 0.27209060 0.95270080 1\n C C5 1 0.55039900 0.84040705 0.38586769 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47533000\n_cell_length_b 4.24805000\n_cell_length_c 4.24932000\n_cell_angle_alpha 51.94820000\n_cell_angle_beta 90.03094000\n_cell_angle_gamma 89.97144000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18576142\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50389385 0.85079899 0.42569343 1\n C C1 1 0.00388414 0.89732375 0.88000036 1\n C C2 1 0.50388577 1.00776661 -0.00910865 1\n C C3 1 1.00376467 1.05420667 0.44522963 1\n C C4 1 0.00434291 0.46252193 1.03681831 1\n C C5 1 0.50397005 0.44273715 0.83385092 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04099000\n_cell_length_b 4.21067000\n_cell_length_c 4.85496000\n_cell_angle_alpha 90.12436000\n_cell_angle_beta 107.24257000\n_cell_angle_gamma 74.83846000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.11361719\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01853325 0.14862693 0.45715872 1\n C C1 1 1.01853222 0.64861668 0.70715392 1\n C C2 1 0.01414684 -0.01723175 0.70617721 1\n C C3 1 0.01851391 0.64861837 0.20719348 1\n C C4 1 0.01415687 0.48277830 0.95620204 1\n C C5 1 0.01851475 0.14859128 -0.04281090 1\n C C6 1 1.01416328 0.48276403 0.45620572 1\n C C7 1 1.01415257 -0.01724134 0.20621962 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48204000\n_cell_length_b 4.57918000\n_cell_length_c 3.73922000\n_cell_angle_alpha 89.97605000\n_cell_angle_beta 89.99496000\n_cell_angle_gamma 57.17996000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.71508317\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49572995 0.48698580 0.54117963 1\n C C1 1 0.99554094 0.48720010 0.77059568 1\n C C2 1 0.79156176 0.19183824 0.27462988 1\n C C3 1 0.70207776 0.78257819 0.03726687 1\n C C4 1 0.20217474 0.78236292 0.27433804 1\n C C5 1 0.29142225 0.19205055 0.03755209 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48130000\n_cell_length_b 3.68819000\n_cell_length_c 4.21722000\n_cell_angle_alpha 75.08580000\n_cell_angle_beta 90.05618000\n_cell_angle_gamma 109.62519000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97218271\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92559316 0.80404776 0.20986277 1\n C C1 1 0.44563547 0.84410133 0.98738970 1\n C C2 1 0.12274904 0.20128760 0.28553013 1\n C C3 1 0.24363209 0.44633920 0.91169341 1\n C C4 1 0.70155044 0.35854771 0.41610488 1\n C C5 1 0.66561619 0.28981089 0.78100401 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27646000\n_cell_length_b 3.26844000\n_cell_length_c 3.63515000\n_cell_angle_alpha 75.44362000\n_cell_angle_beta 75.37827000\n_cell_angle_gamma 80.78443000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.26376724\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08691582 0.41118627 0.86385491 1\n C C1 1 0.64739233 0.46694518 0.24545133 1\n C C2 1 0.70112300 0.19993691 0.62718265 1\n C C3 1 1.06178788 0.83813920 0.62660874 1\n C C4 1 0.27496238 0.04943890 -0.13694692 1\n C C5 1 0.32943774 0.78266334 0.24490259 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46089000\n_cell_length_b 3.39600000\n_cell_length_c 6.03671000\n_cell_angle_alpha 109.54011000\n_cell_angle_beta 101.77408000\n_cell_angle_gamma 111.23956000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.16559893\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86358085 0.46228099 0.39635548 1\n C C1 1 0.49169120 0.91669120 0.20121287 1\n C C2 1 0.33305455 0.52855696 0.26976177 1\n C C3 1 0.71891881 0.77210925 0.79878825 1\n C C4 1 0.96176768 -0.01675480 0.07462491 1\n C C5 1 0.10718901 0.67339060 0.67224742 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.71578000\n_cell_length_b 6.82726000\n_cell_length_c 5.60707000\n_cell_angle_alpha 41.80272000\n_cell_angle_beta 82.23269000\n_cell_angle_gamma 74.49499000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.44254551\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56237974 0.09933875 0.25690984 1\n C C1 1 1.09406599 0.40083975 0.51157140 1\n C C2 1 0.61032951 0.60547050 0.72622140 1\n C C3 1 0.30190340 0.52186854 0.18960018 1\n C C4 1 0.17943012 0.06418664 0.88279609 1\n C C5 1 0.30021793 0.84081493 0.88258739 1\n C C6 1 0.71740287 -0.02487620 0.11772233 1\n C C7 1 0.49723516 0.38669346 0.07678563 1\n C C8 1 0.46549734 0.88032823 0.60768506 1\n C C9 1 0.82934435 0.63277809 0.46793107 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45261000\n_cell_length_b 7.41386000\n_cell_length_c 9.06936000\n_cell_angle_alpha 71.26803000\n_cell_angle_beta 77.16121000\n_cell_angle_gamma 87.74591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 152.17966070\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96469069 0.40107151 0.15355873 1\n C C1 1 0.64785609 0.15797373 0.49880623 1\n C C2 1 0.06571534 0.32114360 0.00641207 1\n C C3 1 0.20500171 0.23740307 0.42764430 1\n C C4 1 0.38528985 0.30855999 0.24895454 1\n C C5 1 0.25380016 0.75667439 0.93889403 1\n C C6 1 0.19899101 0.95640807 -0.04192559 1\n C C7 1 0.53187734 -0.01415121 0.62878861 1\n C C8 1 0.50702918 0.65402080 0.19227829 1\n C C9 1 0.56604615 0.19575645 0.03822532 1\n C C10 1 0.91361355 1.00808960 0.27310638 1\n C C11 1 0.41352262 0.70724332 0.33949721 1\n C C12 1 1.06893629 0.62149324 0.11782672 1\n C C13 1 0.68596566 0.46093194 0.75355064 1\n C C14 1 -0.09166573 0.82071515 0.32378181 1\n C C15 1 0.33896762 0.56815417 0.50497258 1\n C C16 1 1.13358062 0.43475098 0.83572026 1\n C C17 1 0.84179360 0.76085893 0.84608378 1\n C C18 1 -0.01919405 -0.10081276 0.69321442 1\n C C19 1 0.78467112 0.53153459 0.58533204 1\n C C20 1 0.67369891 0.03805707 0.97169865 1\n C C21 1 0.44089918 0.11457276 0.22019407 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44265000\n_cell_length_b 4.19818000\n_cell_length_c 6.50122000\n_cell_angle_alpha 70.82210000\n_cell_angle_beta 79.19783000\n_cell_angle_gamma 89.93987000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.72058391\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84782938 0.68311033 0.43776106 1\n C C1 1 0.18449049 0.70850177 0.77199141 1\n C C2 1 0.63025066 0.71589908 0.87819522 1\n C C3 1 0.30244884 0.79095352 0.52729619 1\n C C4 1 -0.17701986 0.31759476 0.47899002 1\n C C5 1 -0.02927572 0.76473018 0.19316422 1\n C C6 1 1.31737023 0.15551382 0.48870641 1\n C C7 1 0.52564259 -0.24148665 0.08661827 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44222000\n_cell_length_b 4.04697000\n_cell_length_c 6.87030000\n_cell_angle_alpha 65.83762000\n_cell_angle_beta 66.07645000\n_cell_angle_gamma 78.05999000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.56338572\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50932312 0.88603055 0.50554243 1\n C C1 1 -0.00197411 0.45921450 0.30361483 1\n C C2 1 0.69277730 0.50964265 0.52309641 1\n C C3 1 0.93814483 0.57502010 -0.07157361 1\n C C4 1 0.60337064 0.63568238 0.15652877 1\n C C5 1 0.62558355 0.19035048 0.73368556 1\n C C6 1 0.48371716 0.32968462 0.92888296 1\n C C7 1 0.17372807 -0.05411492 0.73378526 1\n C C8 1 0.11379666 0.06438401 0.35811221 1\n C C9 1 0.41904367 1.01285642 0.13898758 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42973000\n_cell_length_b 2.42959000\n_cell_length_c 8.46884000\n_cell_angle_alpha 81.28734000\n_cell_angle_beta 82.93415000\n_cell_angle_gamma 59.99201000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.72746620\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79381115 0.81771820 0.52324040 1\n C C1 1 0.53215244 0.61945598 0.19063189 1\n C C2 1 0.19867818 0.28620802 0.19055954 1\n C C3 1 0.96669243 0.06434288 0.85678779 1\n C C4 1 0.29958368 0.39750681 0.85756604 1\n C C5 1 0.12709212 0.15094931 0.52334345 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46540000\n_cell_length_b 3.38157000\n_cell_length_c 6.27744000\n_cell_angle_alpha 56.78482000\n_cell_angle_beta 78.63584000\n_cell_angle_gamma 68.60657000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.76699116\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42520023 0.31879170 0.45255613 1\n C C1 1 0.02264655 0.45046115 0.12699277 1\n C C2 1 0.61256120 0.14578343 0.25227596 1\n C C3 1 0.83579479 0.62334556 0.32726324 1\n C C4 1 0.45910125 -0.02939313 0.72737538 1\n C C5 1 -0.01934151 0.80052669 0.85239682 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47574000\n_cell_length_b 5.39382000\n_cell_length_c 4.18436000\n_cell_angle_alpha 112.85048000\n_cell_angle_beta 89.99499000\n_cell_angle_gamma 117.32659000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.64874657\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11005229 0.10343761 0.40960798 1\n C C1 1 0.75234843 0.74642560 0.23110160 1\n C C2 1 0.09799522 0.59163021 0.02397978 1\n C C3 1 0.76506191 0.25821350 0.35700126 1\n C C4 1 1.09828824 0.59187426 0.65457935 1\n C C5 1 0.10989783 0.10350223 0.77944765 1\n C C6 1 -0.23527093 0.25813158 -0.01329691 1\n C C7 1 0.75281141 0.74700251 0.60190290 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47826000\n_cell_length_b 2.47781000\n_cell_length_c 6.31210000\n_cell_angle_alpha 101.30509000\n_cell_angle_beta 78.69138000\n_cell_angle_gamma 120.00576000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.69412382\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71930304 0.25905494 0.09226531 1\n C C1 1 0.63765994 0.34335588 0.33939568 1\n C C2 1 0.94399911 0.03805986 0.42284303 1\n C C3 1 0.86140213 0.12066890 0.67393454 1\n C C4 1 0.49939154 0.48113849 0.75816110 1\n C C5 1 0.41360044 0.56407453 0.00915644 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43169000\n_cell_length_b 4.67416000\n_cell_length_c 6.69094000\n_cell_angle_alpha 99.39299000\n_cell_angle_beta 83.42015000\n_cell_angle_gamma 102.30707000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.05438747\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40961205 0.62584933 0.66760113 1\n C C1 1 0.80699512 0.22644761 0.46653670 1\n C C2 1 0.20642920 0.82597217 0.26674916 1\n C C3 1 0.33986299 0.35878553 0.53513454 1\n C C4 1 0.54377762 0.15954416 -0.06632047 1\n C C5 1 1.01234411 1.02702553 0.86548346 1\n C C6 1 0.60877123 0.42560049 0.06798107 1\n C C7 1 0.94388442 0.76004672 0.73383471 1\n C C8 1 0.73904247 -0.03998478 0.33329324 1\n C C9 1 0.13972591 0.55823992 0.13578646 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.67193000\n_cell_length_b 4.77604000\n_cell_length_c 6.04269000\n_cell_angle_alpha 94.83250000\n_cell_angle_beta 113.93679000\n_cell_angle_gamma 108.11665000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 89.31524298\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03725825 0.31346503 0.16501279 1\n C C1 1 0.14844205 0.15331088 0.78158789 1\n C C2 1 0.40026795 0.96082850 0.82443328 1\n C C3 1 0.49511252 0.48154355 0.88139821 1\n C C4 1 0.12759976 0.82266301 0.28194485 1\n C C5 1 0.85516239 0.17776396 0.89019638 1\n C C6 1 0.79015365 0.45849728 0.77353120 1\n C C7 1 0.11811951 0.12217840 0.35714244 1\n C C8 1 0.52528858 0.51201732 0.30625370 1\n C C9 1 0.77991845 0.52429363 0.16009575 1\n C C10 1 0.24567545 0.67577673 0.83928315 1\n C C11 1 0.51585145 -0.18890026 0.38229432 1\n C C12 1 -0.13712467 0.10947807 0.50295144 1\n C C13 1 0.60537967 0.32038680 0.49822789 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47740000\n_cell_length_b 2.47800000\n_cell_length_c 6.31113000\n_cell_angle_alpha 101.31525000\n_cell_angle_beta 101.32328000\n_cell_angle_gamma 59.98433000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67517175\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16779016 0.36869705 0.60723689 1\n C C1 1 0.38734144 0.59326839 0.27591222 1\n C C2 1 0.94522031 0.14567561 0.94155078 1\n C C3 1 0.30522494 0.50761670 1.02504540 1\n C C4 1 0.86293925 1.06235320 0.69067594 1\n C C5 1 0.08250171 0.28769705 0.35954897 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52332000\n_cell_length_b 4.96906000\n_cell_length_c 4.66587000\n_cell_angle_alpha 83.86814000\n_cell_angle_beta 90.06644000\n_cell_angle_gamma 89.91673000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.16831760\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78300189 0.09395594 0.32981744 1\n C C1 1 0.28433085 0.64868948 0.44890091 1\n C C2 1 0.78131500 0.11273650 0.65390380 1\n C C3 1 0.78198963 0.83675523 0.82099975 1\n C C4 1 -0.21724288 0.35217605 0.12024934 1\n C C5 1 0.28394469 0.93232621 0.27779551 1\n C C6 1 0.78263145 0.32995759 0.79701924 1\n C C7 1 0.28266536 0.79613364 1.00134228 1\n C C8 1 0.28320580 0.51388579 0.17222829 1\n C C9 1 0.78370022 0.60667267 0.62937624 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33924000\n_cell_length_b 3.36521000\n_cell_length_c 9.54938000\n_cell_angle_alpha 75.95978000\n_cell_angle_beta 103.23271000\n_cell_angle_gamma 83.88493000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 99.83554009\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74932519 0.40808725 0.50039604 1\n C C1 1 0.91026129 0.20689482 0.83739246 1\n C C2 1 0.14654306 0.98518959 0.35289509 1\n C C3 1 0.26334346 0.86604212 0.09118316 1\n C C4 1 0.68078323 0.93666284 0.75376170 1\n C C5 1 0.88950985 0.71955571 0.58210142 1\n C C6 1 0.65052991 0.28426131 0.93800206 1\n C C7 1 0.32085971 -0.02341798 0.93788169 1\n C C8 1 0.45947478 0.66464733 0.35359032 1\n C C9 1 -0.14458340 0.25466358 0.22023302 1\n C C10 1 0.93497394 0.16394468 1.09091725 1\n C C11 1 0.41778662 0.69921834 0.84694945 1\n C C12 1 1.10468779 0.05296808 0.49929121 1\n C C13 1 0.53847535 0.06479751 0.58272239 1\n C C14 1 0.01818574 0.60510743 0.75368825 1\n C C15 1 0.53777556 0.58306300 0.22060609 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.22298000\n_cell_length_b 4.93799000\n_cell_length_c 4.87189000\n_cell_angle_alpha 119.60844000\n_cell_angle_beta 90.03099000\n_cell_angle_gamma 89.57006000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 88.32472665\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77224592 0.68119119 0.09305265 1\n C C1 1 0.70432913 0.98853092 0.24657957 1\n C C2 1 0.67209194 0.67111080 0.58807071 1\n C C3 1 0.32645303 0.23209777 0.70891152 1\n C C4 1 0.81251535 0.49861079 0.74255106 1\n C C5 1 0.14966883 0.43703601 0.63027555 1\n C C6 1 -0.18765144 0.49864350 0.26089391 1\n C C7 1 0.31410409 0.68098381 0.59290926 1\n C C8 1 0.66422774 0.17112050 0.07869155 1\n C C9 1 0.14962272 0.43653926 0.31132276 1\n C C10 1 0.66411831 0.17110501 0.59695948 1\n C C11 1 0.32645518 0.23188042 0.02753076 1\n C C12 1 0.80527216 -0.00115849 0.75182399 1\n C C13 1 0.16270595 0.98777460 0.74593684 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51828000\n_cell_length_b 3.51762000\n_cell_length_c 4.30625000\n_cell_angle_alpha 114.08889000\n_cell_angle_beta 114.10333000\n_cell_angle_gamma 90.01969000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.50957324\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57400101 0.06937574 0.00122169 1\n C C1 1 -0.05091462 0.94382970 0.25130585 1\n C C2 1 0.07400101 0.56937574 1.00122169 1\n C C3 1 0.82330815 0.81851542 0.50088613 1\n C C4 1 0.32330815 0.31851542 0.50088613 1\n C C5 1 0.44908538 0.44382970 0.25130585 1\n C C6 1 0.19862701 0.69403199 0.75110928 1\n C C7 1 0.69862701 0.19403199 0.75110928 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48576000\n_cell_length_b 3.95309000\n_cell_length_c 5.93897000\n_cell_angle_alpha 104.51631000\n_cell_angle_beta 90.01770000\n_cell_angle_gamma 90.00968000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.49585612\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92265546 0.59898089 0.71170060 1\n C C1 1 -0.07760733 0.61578600 0.17415137 1\n C C2 1 0.42317637 0.04345864 0.97895529 1\n C C3 1 0.92242374 0.90651727 0.61966400 1\n C C4 1 0.42192380 0.19218201 0.38042694 1\n C C5 1 0.42244322 0.38131449 0.17968436 1\n C C6 1 0.92182472 0.95294448 0.37461515 1\n C C7 1 -0.07686388 0.80436759 -0.02666419 1\n C C8 1 0.42261324 1.08820966 0.73306378 1\n C C9 1 0.42255646 0.39636238 0.64223521 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32303000\n_cell_length_b 4.41661000\n_cell_length_c 4.33850000\n_cell_angle_alpha 90.05432000\n_cell_angle_beta 89.52011000\n_cell_angle_gamma 131.69986000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.53904960\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51370831 0.27288481 0.09666681 1\n C C1 1 0.46946275 0.89802525 0.44576730 1\n C C2 1 0.51377306 0.92021696 1.09647830 1\n C C3 1 0.01499145 0.52447224 0.61275862 1\n C C4 1 0.96812564 0.64637886 0.92963654 1\n C C5 1 0.46954203 0.25033608 0.44584927 1\n C C6 1 0.96817053 1.00101220 0.92969231 1\n C C7 1 0.01518233 0.16943330 0.61286724 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.60230000\n_cell_length_b 3.59269000\n_cell_length_c 4.20580000\n_cell_angle_alpha 89.95082000\n_cell_angle_beta 89.96651000\n_cell_angle_gamma 84.22528000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.15498708\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43372334 0.61405401 0.86732425 1\n C C1 1 0.08651850 0.76431980 0.38977987 1\n C C2 1 0.58680189 0.26601692 0.70572974 1\n C C3 1 0.43312896 0.61367493 0.22763373 1\n C C4 1 0.74137397 0.91918305 0.86744937 1\n C C5 1 1.08698531 0.76489846 0.70573271 1\n C C6 1 0.74099951 0.91890637 0.22786101 1\n C C7 1 0.58642410 0.26557287 0.38976481 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47106000\n_cell_length_b 3.22680000\n_cell_length_c 5.74469000\n_cell_angle_alpha 80.07180000\n_cell_angle_beta 115.46633000\n_cell_angle_gamma 112.62932000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.17021906\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93840148 -0.15179454 0.77189272 1\n C C1 1 0.62722632 0.48391823 0.14393901 1\n C C2 1 -0.01218994 0.20707345 0.14342064 1\n C C3 1 0.02641141 0.84296116 0.36264340 1\n C C4 1 0.59055257 0.84830049 0.92431063 1\n C C5 1 0.67954096 0.84331301 0.51556671 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43651000\n_cell_length_b 6.48201000\n_cell_length_c 6.76324000\n_cell_angle_alpha 78.50329000\n_cell_angle_beta 122.80136000\n_cell_angle_gamma 100.89294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.55596850\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59266090 0.50490559 0.33013577 1\n C C1 1 0.19900635 0.83547674 0.29098688 1\n C C2 1 0.82981536 0.17619358 0.26570427 1\n C C3 1 0.34065273 0.89283998 0.70086259 1\n C C4 1 0.38017369 0.67894751 0.79894792 1\n C C5 1 0.65211784 0.72736210 0.29589478 1\n C C6 1 0.48768754 0.26673906 0.00878613 1\n C C7 1 0.89637879 0.35386563 0.91928311 1\n C C8 1 0.86363040 0.56850332 0.82483499 1\n C C9 1 0.39390323 0.05768580 0.34789063 1\n C C10 1 0.74301739 -0.02268560 0.60801406 1\n C C11 1 0.04114147 0.39599459 0.33247497 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48757000\n_cell_length_b 5.84596000\n_cell_length_c 4.76130000\n_cell_angle_alpha 51.29212000\n_cell_angle_beta 58.48017000\n_cell_angle_gamma 64.81852000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.55089135\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70370077 0.66040700 0.71173555 1\n C C1 1 0.39592007 0.19841894 -0.01925866 1\n C C2 1 0.35465229 0.89534264 0.82510603 1\n C C3 1 0.42880677 0.66530159 0.48160487 1\n C C4 1 0.69535081 0.31299341 0.06727058 1\n C C5 1 0.36208699 0.24283849 0.46993761 1\n C C6 1 0.62911480 0.89031054 0.05541167 1\n C C7 1 0.66056670 0.35731159 0.55687015 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.76671000\n_cell_length_b 4.84241000\n_cell_length_c 6.68727000\n_cell_angle_alpha 108.60331000\n_cell_angle_beta 116.51613000\n_cell_angle_gamma 96.08232000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.64793570\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06378999 0.11875097 0.60412137 1\n C C1 1 0.45465579 0.16497725 -0.00576425 1\n C C2 1 0.81112555 0.99129368 0.34914804 1\n C C3 1 0.69836216 0.19434093 0.23683267 1\n C C4 1 0.45580482 0.46401473 -0.00532731 1\n C C5 1 0.21332202 0.43423854 0.75218810 1\n C C6 1 0.84791186 0.50989775 0.38533878 1\n C C7 1 0.70029438 0.67710497 0.23730054 1\n C C8 1 0.10096914 0.63740757 0.64028779 1\n C C9 1 0.21114218 0.95152481 0.75203548 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48824000\n_cell_length_b 4.30453000\n_cell_length_c 4.97322000\n_cell_angle_alpha 73.17217000\n_cell_angle_beta 120.05237000\n_cell_angle_gamma 106.82145000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.45605413\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63059722 0.44390139 0.97904368 1\n C C1 1 0.13054487 -0.05610820 0.72906060 1\n C C2 1 0.50591979 0.06898767 0.54161831 1\n C C3 1 0.63113472 0.44388443 0.47901626 1\n C C4 1 1.13058378 0.94389403 0.22907594 1\n C C5 1 0.50577150 0.06899260 0.04164478 1\n C C6 1 0.00646533 0.56900904 0.29160314 1\n C C7 1 0.00585958 0.56897533 0.79158829 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41134000\n_cell_length_b 3.60714000\n_cell_length_c 7.13585000\n_cell_angle_alpha 93.80966000\n_cell_angle_beta 70.28098000\n_cell_angle_gamma 70.02389000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.74215038\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38708950 0.28839172 0.06943722 1\n C C1 1 0.55262767 0.06056649 0.52043376 1\n C C2 1 0.88337811 0.64641034 0.39736333 1\n C C3 1 0.52510677 0.36674434 0.39404976 1\n C C4 1 1.06159612 0.70912534 0.18476379 1\n C C5 1 0.87276984 0.12576424 0.16495524 1\n C C6 1 0.28541931 0.15421875 0.74130425 1\n C C7 1 0.65785060 0.19811579 0.84597054 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47249000\n_cell_length_b 3.40819000\n_cell_length_c 9.34349000\n_cell_angle_alpha 66.18777000\n_cell_angle_beta 74.61904000\n_cell_angle_gamma 68.73295000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.47228649\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40041569 0.70420334 0.47979937 1\n C C1 1 0.27303596 1.20294681 0.35855773 1\n C C2 1 0.97471272 -0.35514340 0.93495937 1\n C C3 1 0.36459005 0.36458365 0.18607636 1\n C C4 1 0.68265221 0.63263920 0.73433658 1\n C C5 1 0.43009505 0.89447078 0.85565074 1\n C C6 1 -0.35518281 0.29877915 0.43780051 1\n C C7 1 0.89954055 0.45125837 0.10694954 1\n C C8 1 0.77326367 0.80184516 0.55901880 1\n C C9 1 1.22814231 0.38190784 0.81321410 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48501000\n_cell_length_b 4.78165000\n_cell_length_c 4.67721000\n_cell_angle_alpha 87.77238000\n_cell_angle_beta 74.58862000\n_cell_angle_gamma 58.66536000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.42945163\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21165566 0.96608378 0.39841856 1\n C C1 1 0.35927581 0.43396027 0.16890711 1\n C C2 1 0.83528555 0.67188857 0.74073362 1\n C C3 1 0.46194158 0.50202457 0.82693291 1\n C C4 1 0.93734966 0.74007221 0.39999568 1\n C C5 1 0.42112969 0.02730039 0.85692852 1\n C C6 1 -0.12568788 0.14627591 0.71295140 1\n C C7 1 1.08356532 0.20826952 0.17174380 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50304000\n_cell_length_b 4.73711000\n_cell_length_c 10.61055000\n_cell_angle_alpha 78.08296000\n_cell_angle_beta 79.60145000\n_cell_angle_gamma 74.31320000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 117.47229764\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78824903 0.16173962 0.28430323 1\n C C1 1 0.85407530 0.01345602 0.98209429 1\n C C2 1 0.29563770 0.30704762 0.09812556 1\n C C3 1 0.28934437 0.88206993 0.46388505 1\n C C4 1 0.47754807 0.60577648 0.39998106 1\n C C5 1 0.80838762 0.34446941 0.01006004 1\n C C6 1 1.04405305 0.61200743 0.31004153 1\n C C7 1 0.45883518 0.07927205 0.77351015 1\n C C8 1 0.21645889 0.34315986 0.24119047 1\n C C9 1 0.46146673 0.92224241 0.91441340 1\n C C10 1 0.55659358 -0.03744251 0.12749829 1\n C C11 1 0.72733738 0.06388991 0.42354144 1\n C C12 1 -0.10220156 0.26678633 0.73157420 1\n C C13 1 0.64237013 0.83413211 0.68684639 1\n C C14 1 0.01429297 0.25322894 0.58509253 1\n C C15 1 0.17201393 0.90253036 0.60563046 1\n C C16 1 0.54250567 0.32270463 0.50167234 1\n C C17 1 0.70570935 0.59547804 0.90080449 1\n C C18 1 0.73812082 0.55412280 0.77894069 1\n C C19 1 1.00493680 0.89529786 0.21157228 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35189000\n_cell_length_b 5.02266000\n_cell_length_c 4.02497000\n_cell_angle_alpha 64.80562000\n_cell_angle_beta 71.57172000\n_cell_angle_gamma 87.64529000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.82552539\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14405623 0.31626241 0.30464052 1\n C C1 1 -0.15951162 0.79446620 0.45219630 1\n C C2 1 -0.09079932 0.52423315 0.78698271 1\n C C3 1 0.99790524 0.60108731 0.06904147 1\n C C4 1 0.25584389 0.38525891 0.59258204 1\n C C5 1 0.25299099 0.82698311 0.10843444 1\n C C6 1 0.76618762 1.09595488 0.43938313 1\n C C7 1 0.57333401 0.65678146 0.30689507 1\n C C8 1 0.57289222 0.25862538 0.07266094 1\n C C9 1 0.46040633 1.12692680 0.81500138 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44118000\n_cell_length_b 6.23789000\n_cell_length_c 6.25571000\n_cell_angle_alpha 122.35216000\n_cell_angle_beta 101.33194000\n_cell_angle_gamma 89.94793000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.27780056\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38964200 0.85809844 0.85849168 1\n C C1 1 0.17355604 0.65034807 0.40983169 1\n C C2 1 0.15632493 0.03977528 0.38624033 1\n C C3 1 0.46034000 0.35190318 -0.00530307 1\n C C4 1 0.93917155 0.22766904 0.95218667 1\n C C5 1 0.69721137 0.17205619 0.46643652 1\n C C6 1 0.77806373 0.46306087 0.62359437 1\n C C7 1 0.49181213 0.61686953 1.05777456 1\n C C8 1 0.07828484 0.74815867 0.22965336 1\n C C9 1 0.91092663 0.98249465 0.90062315 1\n C C10 1 0.36329705 0.59318288 0.79560252 1\n C C11 1 0.69044744 0.56240541 0.44493482 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26276000\n_cell_length_b 3.76117000\n_cell_length_c 4.75675000\n_cell_angle_alpha 93.50529000\n_cell_angle_beta 91.51228000\n_cell_angle_gamma 85.20108000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.04711714\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33971570 0.02616067 0.39637492 1\n C C1 1 0.71018091 0.20907128 0.78014880 1\n C C2 1 0.93405148 0.71488936 1.01404828 1\n C C3 1 0.70916860 0.84473660 0.77993325 1\n C C4 1 0.48262267 0.71193134 0.54896227 1\n C C5 1 0.48298828 0.33918609 0.54812358 1\n C C6 1 1.08151874 1.02768145 0.16350892 1\n C C7 1 -0.06572807 0.34217471 1.01324598 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47374000\n_cell_length_b 4.80328000\n_cell_length_c 4.80268000\n_cell_angle_alpha 127.07184000\n_cell_angle_beta 75.07122000\n_cell_angle_gamma 104.92724000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60579737\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66205442 0.94011791 0.73162736 1\n C C1 1 0.16203012 0.44008868 0.23171952 1\n C C2 1 0.47477468 0.75326272 0.91888093 1\n C C3 1 -0.08786798 -0.14309363 0.14842504 1\n C C4 1 0.22469762 0.16968549 0.83537775 1\n C C5 1 0.97470345 0.25321483 0.41896572 1\n C C6 1 0.72474221 0.66964311 0.33532609 1\n C C7 1 0.41206308 0.35690318 0.64851399 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43057000\n_cell_length_b 3.25080000\n_cell_length_c 5.57657000\n_cell_angle_alpha 89.30628000\n_cell_angle_beta 78.96573000\n_cell_angle_gamma 92.68807000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18997685\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40875569 0.45182012 0.64881259 1\n C C1 1 0.18742436 1.00645800 0.09322664 1\n C C2 1 0.85370187 0.34182884 0.76045123 1\n C C3 1 0.74248645 0.11474244 -0.01872671 1\n C C4 1 1.07588398 0.78107044 0.31444225 1\n C C5 1 0.52077546 0.67146436 0.42614359 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48663000\n_cell_length_b 5.30600000\n_cell_length_c 5.29427000\n_cell_angle_alpha 126.65560000\n_cell_angle_beta 90.09292000\n_cell_angle_gamma 117.81347000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.53691784\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50891070 -0.11033681 -0.00733406 1\n C C1 1 0.74085417 0.62082489 0.18601468 1\n C C2 1 0.08563032 0.46531632 0.72778554 1\n C C3 1 0.85368685 0.73415462 0.53443679 1\n C C4 1 0.09584428 0.97626436 0.19382335 1\n C C5 1 0.49869674 0.37871516 0.52662813 1\n C C6 1 0.58356969 -0.03570524 0.75952540 1\n C C7 1 1.01097133 0.39068475 0.96092608 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45889000\n_cell_length_b 4.18052000\n_cell_length_c 5.64513000\n_cell_angle_alpha 99.92113000\n_cell_angle_beta 86.15940000\n_cell_angle_gamma 114.01629000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.44630818\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18591462 0.23083654 0.47381085 1\n C C1 1 -0.01803887 0.43153064 0.87256926 1\n C C2 1 0.38325457 1.03123526 0.07294471 1\n C C3 1 0.05016888 0.69805802 0.07285548 1\n C C4 1 0.58370653 0.83124380 0.67306719 1\n C C5 1 0.45309251 0.29738737 0.27371944 1\n C C6 1 0.64911706 0.09838580 -0.12744929 1\n C C7 1 0.78582340 0.63080228 0.27373142 1\n C C8 1 0.25081555 0.49808098 0.67320717 1\n C C9 1 0.85313014 0.89747192 0.47384938 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56183000\n_cell_length_b 3.78688000\n_cell_length_c 6.95012000\n_cell_angle_alpha 74.25638000\n_cell_angle_beta 98.69523000\n_cell_angle_gamma 89.84691000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.08249743\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.21374143 0.64310121 0.95675243 1\n C C1 1 -0.11066782 1.04059983 0.17220520 1\n C C2 1 0.53189677 0.87287282 0.49907352 1\n C C3 1 0.43504642 1.10326867 0.28416245 1\n C C4 1 0.88969820 0.65935734 0.17194091 1\n C C5 1 0.71689088 0.01968883 0.83321624 1\n C C6 1 0.43443303 0.48460214 0.28423239 1\n C C7 1 0.53042218 0.50171581 0.49876912 1\n C C8 1 0.59653780 0.12531632 0.62254219 1\n C C9 1 0.78595557 0.27183645 0.95675124 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36557000\n_cell_length_b 4.84518000\n_cell_length_c 5.26279000\n_cell_angle_alpha 90.81750000\n_cell_angle_beta 88.71083000\n_cell_angle_gamma 151.66755000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.71559030\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81672292 0.67932732 0.79813192 1\n C C1 1 0.70057463 0.30898847 0.39798429 1\n C C2 1 0.14777740 0.12367952 0.19870539 1\n C C3 1 0.92740228 0.71789725 0.52385832 1\n C C4 1 0.25753585 0.16201236 0.92396054 1\n C C5 1 0.37399321 0.53238408 0.32325723 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45679000\n_cell_length_b 3.66348000\n_cell_length_c 6.40897000\n_cell_angle_alpha 105.51692000\n_cell_angle_beta 90.02518000\n_cell_angle_gamma 70.38453000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.10088264\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07047360 0.28821569 0.89632122 1\n C C1 1 0.29024043 0.84930451 0.09368349 1\n C C2 1 0.29496491 0.83954466 0.84533924 1\n C C3 1 0.56779240 0.29513829 0.41676597 1\n C C4 1 0.51536635 0.40075957 0.04251613 1\n C C5 1 0.66776645 1.09432526 0.18025452 1\n C C6 1 -0.08168256 0.59335677 0.75850399 1\n C C7 1 0.01822142 0.39617816 0.52180565 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45561000\n_cell_length_b 3.35166000\n_cell_length_c 8.98318000\n_cell_angle_alpha 53.61601000\n_cell_angle_beta 81.99381000\n_cell_angle_gamma 68.37049000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.01877094\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63089326 0.39144321 0.84808939 1\n C C1 1 0.94263901 0.39608607 0.22447016 1\n C C2 1 0.38774126 -0.06356870 0.78951673 1\n C C3 1 0.37387085 0.62070907 0.13539960 1\n C C4 1 0.76740894 0.26870267 0.69902685 1\n C C5 1 0.64627523 0.70544289 0.50203429 1\n C C6 1 0.25264722 0.05858405 0.93853428 1\n C C7 1 0.07888743 0.92877893 0.41272921 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48124000\n_cell_length_b 3.68782000\n_cell_length_c 4.21912000\n_cell_angle_alpha 75.09138000\n_cell_angle_beta 89.96479000\n_cell_angle_gamma 70.36933000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98198967\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63505801 0.50747478 0.60527894 1\n C C1 1 0.83611188 0.10957858 0.52976485 1\n C C2 1 0.15514929 0.46771970 0.82722183 1\n C C3 1 0.37908395 1.02212818 1.03371715 1\n C C4 1 0.41410796 -0.04666045 0.39881488 1\n C C5 1 -0.04209498 0.86475722 0.90321866 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48616000\n_cell_length_b 4.76153000\n_cell_length_c 5.31412000\n_cell_angle_alpha 87.86620000\n_cell_angle_beta 62.07195000\n_cell_angle_gamma 58.50817000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.56356230\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00494356 0.10383772 0.99097025 1\n C C1 1 0.71520492 0.87840298 0.99617960 1\n C C2 1 0.15079553 0.91011203 0.52944478 1\n C C3 1 0.69142810 0.67733258 0.22153178 1\n C C4 1 0.41177239 0.45173934 0.22657963 1\n C C5 1 0.33481700 0.11134902 0.64402449 1\n C C6 1 1.07217028 0.44383420 0.57392393 1\n C C7 1 0.25602604 0.64523292 0.68836484 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48227000\n_cell_length_b 4.57997000\n_cell_length_c 5.91243000\n_cell_angle_alpha 39.18563000\n_cell_angle_beta 65.16002000\n_cell_angle_gamma 57.15918000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.68237995\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88671929 0.12641617 0.12074146 1\n C C1 1 0.68249566 0.33467394 0.61711048 1\n C C2 1 0.18288141 0.09755867 0.85405423 1\n C C3 1 0.09227992 0.92561274 0.61672067 1\n C C4 1 0.59264184 0.68862466 0.85358322 1\n C C5 1 0.38622219 -0.10264937 0.34995915 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47874000\n_cell_length_b 3.68389000\n_cell_length_c 5.81873000\n_cell_angle_alpha 83.22366000\n_cell_angle_beta 77.77437000\n_cell_angle_gamma 90.10595000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.54571825\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58757670 0.65740186 0.47068335 1\n C C1 1 0.48980534 -0.08438624 0.66547209 1\n C C2 1 0.15436353 0.73994390 0.33658481 1\n C C3 1 0.25405346 -0.02648928 0.13894211 1\n C C4 1 0.91871383 0.79562344 0.80936317 1\n C C5 1 -0.08353029 0.38759673 0.81416149 1\n C C6 1 0.82083333 1.05297901 1.00455370 1\n C C7 1 0.49221100 0.32286918 0.66065467 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43013000\n_cell_length_b 2.42985000\n_cell_length_c 8.54233000\n_cell_angle_alpha 81.50520000\n_cell_angle_beta 91.47794000\n_cell_angle_gamma 59.98658000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.90464995\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21946941 0.63045214 0.85815481 1\n C C1 1 0.37281432 1.18926198 0.52460985 1\n C C2 1 0.21251840 0.43595536 0.19178692 1\n C C3 1 0.54562203 0.76953588 0.19163140 1\n C C4 1 0.88642196 0.29693292 0.85826338 1\n C C5 1 0.03948518 0.85566392 0.52526844 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.88262000\n_cell_length_b 4.30601000\n_cell_length_c 4.72491000\n_cell_angle_alpha 102.06914000\n_cell_angle_beta 88.72587000\n_cell_angle_gamma 75.07103000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 74.39788926\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35257354 0.81401267 0.14670987 1\n C C1 1 0.54916321 0.31295859 0.34400142 1\n C C2 1 0.54591063 0.64332965 0.34537086 1\n C C3 1 0.16545374 0.64213162 0.96196312 1\n C C4 1 0.16616961 0.31635390 0.96340566 1\n C C5 1 0.73918078 0.81462397 0.54168584 1\n C C6 1 -0.07035599 0.31423178 0.72700776 1\n C C7 1 0.35687188 0.14125226 0.14637343 1\n C C8 1 0.92875986 0.64012830 0.72580630 1\n C C9 1 0.74352694 0.14172454 0.54120894 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47404000\n_cell_length_b 4.11755000\n_cell_length_c 4.28050000\n_cell_angle_alpha 90.01697000\n_cell_angle_beta 89.99476000\n_cell_angle_gamma 90.02495000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60537622\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30593002 0.73819354 0.04828021 1\n C C1 1 0.30594756 0.11330036 0.04781821 1\n C C2 1 -0.19410077 0.61328430 0.88162988 1\n C C3 1 0.30611375 0.61331580 0.38164270 1\n C C4 1 0.80616286 0.73822232 0.54828020 1\n C C5 1 0.30621693 0.23823096 0.38122724 1\n C C6 1 0.80612170 0.11330201 0.54781807 1\n C C7 1 0.80605905 0.23820810 0.88121379 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47781000\n_cell_length_b 2.47815000\n_cell_length_c 6.31069000\n_cell_angle_alpha 90.00068000\n_cell_angle_beta 101.32042000\n_cell_angle_gamma 59.96180000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67190670\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59718647 0.02595960 0.15610411 1\n C C1 1 0.76202703 0.94286832 0.40690908 1\n C C2 1 0.15014719 0.24813356 0.49001835 1\n C C3 1 0.70562437 0.46962614 0.82137612 1\n C C4 1 0.31549490 1.16445517 0.73756602 1\n C C5 1 0.87487764 0.38679641 1.07243592 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45667000\n_cell_length_b 3.66418000\n_cell_length_c 6.46938000\n_cell_angle_alpha 98.87395000\n_cell_angle_beta 100.94470000\n_cell_angle_gamma 109.58868000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.35072939\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23700390 0.25383924 0.02475639 1\n C C1 1 0.22392247 0.74623241 0.50545492 1\n C C2 1 0.06354062 0.85457991 0.07571909 1\n C C3 1 0.52685189 0.69297019 0.16276197 1\n C C4 1 0.65035534 0.22701080 0.87951672 1\n C C5 1 0.82656330 0.62703837 0.82898029 1\n C C6 1 0.66519231 0.73463779 0.39899319 1\n C C7 1 0.36446316 0.78877711 0.74185552 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44013000\n_cell_length_b 8.97958000\n_cell_length_c 7.34146000\n_cell_angle_alpha 63.35168000\n_cell_angle_beta 65.63149000\n_cell_angle_gamma 75.73180000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 130.59222280\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80709000 0.51886320 0.14318094 1\n C C1 1 0.46270344 0.09618799 0.36431479 1\n C C2 1 0.60290639 0.96472515 0.96382250 1\n C C3 1 0.51927694 0.32186368 0.66818020 1\n C C4 1 0.13703956 0.29561774 0.58153906 1\n C C5 1 0.38516455 0.40913843 0.16838104 1\n C C6 1 0.39912246 0.75561276 0.89544177 1\n C C7 1 0.50783517 0.60579857 0.29435631 1\n C C8 1 0.95919316 -0.00690434 0.43710737 1\n C C9 1 0.21129419 0.89677907 -0.07067983 1\n C C10 1 -0.11763929 0.64803142 0.35796754 1\n C C11 1 1.01460663 0.82844246 0.49391361 1\n C C12 1 0.37485488 0.08163536 1.04634712 1\n C C13 1 0.56704623 0.72323907 0.52297464 1\n C C14 1 0.29921577 0.39804029 0.83713996 1\n C C15 1 0.29976692 0.58465578 0.74552465 1\n C C16 1 0.32258594 0.26169215 0.38286893 1\n C C17 1 0.74131628 0.14792306 0.10111347 1\n C C18 1 0.67655300 0.33970840 0.98743317 1\n C C19 1 0.97637067 0.65834386 0.90990475 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48248000\n_cell_length_b 3.84394000\n_cell_length_c 3.74736000\n_cell_angle_alpha 90.04109000\n_cell_angle_beta 90.01116000\n_cell_angle_gamma 90.00556000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.75918839\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18443048 0.81478055 0.93370648 1\n C C1 1 0.18442376 0.51998343 0.20098469 1\n C C2 1 0.68434578 0.81465431 0.69758381 1\n C C3 1 0.68448163 0.51978042 0.42986788 1\n C C4 1 0.68442523 0.22474020 0.69729822 1\n C C5 1 0.18455352 0.22489229 0.93342062 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34646000\n_cell_length_b 5.92239000\n_cell_length_c 4.66040000\n_cell_angle_alpha 114.95648000\n_cell_angle_beta 91.13394000\n_cell_angle_gamma 108.51150000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.12753714\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03434302 -0.02311460 0.35353873 1\n C C1 1 0.58829561 0.63820377 0.49845824 1\n C C2 1 0.17237033 0.86090236 0.07673612 1\n C C3 1 0.76775204 0.36314314 0.75367278 1\n C C4 1 0.27433098 0.52872606 0.22936244 1\n C C5 1 -0.04340236 0.85804571 0.57434133 1\n C C6 1 1.01150374 0.24927191 0.47001927 1\n C C7 1 0.20209161 0.59038559 -0.03643065 1\n C C8 1 0.62395189 0.20097051 0.93451521 1\n C C9 1 0.25550670 -0.01957684 0.85636486 1\n C C10 1 0.44653363 0.47648402 0.68019609 1\n C C11 1 0.93783431 0.31075087 0.20391299 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29557000\n_cell_length_b 4.86400000\n_cell_length_c 5.79305000\n_cell_angle_alpha 64.96475000\n_cell_angle_beta 83.01217000\n_cell_angle_gamma 87.00065000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 83.51110662\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74334941 0.65429276 0.41135285 1\n C C1 1 0.53652092 0.14000735 0.18163919 1\n C C2 1 0.06125639 0.78666638 0.16325216 1\n C C3 1 0.83976168 0.17935543 0.34576418 1\n C C4 1 0.91382218 0.12010202 1.00598401 1\n C C5 1 1.15617354 0.31169721 0.09853950 1\n C C6 1 -0.01251871 0.84666652 0.50309926 1\n C C7 1 0.90359844 0.13221121 0.75044938 1\n C C8 1 0.78874484 0.32671543 0.52227461 1\n C C9 1 0.36356792 0.82616158 0.32698486 1\n C C10 1 1.00937573 0.83738045 0.75616898 1\n C C11 1 0.11069687 0.63951606 0.98671340 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48739000\n_cell_length_b 2.48710000\n_cell_length_c 6.57669000\n_cell_angle_alpha 100.88339000\n_cell_angle_beta 67.77676000\n_cell_angle_gamma 120.00178000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61712437\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15781362 0.49174709 0.18875593 1\n C C1 1 0.90780479 0.49179051 0.43876488 1\n C C2 1 0.49189295 0.82553369 0.52166636 1\n C C3 1 0.24224975 0.82544682 0.77176956 1\n C C4 1 0.57502332 1.15895235 0.10554316 1\n C C5 1 0.82528966 0.15871144 0.85534811 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48446000\n_cell_length_b 3.82392000\n_cell_length_c 5.78593000\n_cell_angle_alpha 73.89418000\n_cell_angle_beta 115.49620000\n_cell_angle_gamma 108.96390000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.30941819\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65528686 0.32094746 0.41906897 1\n C C1 1 0.56148837 0.91226071 1.03152098 1\n C C2 1 0.22332305 0.56254838 0.86873176 1\n C C3 1 0.03709393 0.41537510 0.25406537 1\n C C4 1 0.71835926 0.33976659 -0.02519847 1\n C C5 1 0.18117729 0.81849515 0.19665999 1\n C C6 1 0.49815388 -0.10743751 0.47652525 1\n C C7 1 -0.00724614 0.67028633 0.58233275 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49212000\n_cell_length_b 6.53435000\n_cell_length_c 6.46189000\n_cell_angle_alpha 59.92718000\n_cell_angle_beta 84.73684000\n_cell_angle_gamma 88.11067000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.66884479\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07974852 0.37569870 0.35322174 1\n C C1 1 0.72040092 0.97449805 0.54809006 1\n C C2 1 0.72591886 0.10205939 0.27520718 1\n C C3 1 0.09143431 0.67646163 0.90390683 1\n C C4 1 0.59765327 0.53121550 0.28314278 1\n C C5 1 0.80103786 -0.06249871 0.17055271 1\n C C6 1 0.22724801 0.40283665 0.76320930 1\n C C7 1 0.17588017 0.42943391 0.95331520 1\n C C8 1 0.33743166 0.17464598 0.75827350 1\n C C9 1 0.19663493 0.64492723 0.54232936 1\n C C10 1 0.36784569 -0.04487180 1.01854220 1\n C C11 1 1.20748077 0.25402357 0.20495089 1\n C C12 1 0.70917527 0.68648910 0.38902423 1\n C C13 1 0.86433029 0.17266588 0.61382141 1\n C C14 1 0.19081571 0.82123530 0.63582334 1\n C C15 1 0.53782868 0.71654922 1.01674408 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51775000\n_cell_length_b 3.51781000\n_cell_length_c 3.31904000\n_cell_angle_alpha 89.99733000\n_cell_angle_beta 90.01687000\n_cell_angle_gamma 120.04893000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.55216940\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26712227 0.72895478 0.69958312 1\n C C1 1 0.49871922 0.19252725 0.53214306 1\n C C2 1 0.80332430 0.19274512 0.19969318 1\n C C3 1 0.57221715 0.72918347 0.03221300 1\n C C4 1 -0.19654653 0.49707556 -0.13495369 1\n C C5 1 0.26710629 0.42431152 0.36506162 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33299000\n_cell_length_b 4.88150000\n_cell_length_c 4.79808000\n_cell_angle_alpha 101.11470000\n_cell_angle_beta 106.26610000\n_cell_angle_gamma 82.30616000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.26934315\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04782434 0.34049210 0.88289089 1\n C C1 1 1.21212827 1.07107325 0.88128702 1\n C C2 1 0.57983687 0.70415283 0.22846366 1\n C C3 1 0.82830505 0.46623382 0.62984905 1\n C C4 1 0.20009348 0.08207815 0.38030363 1\n C C5 1 0.33509685 -0.05485806 1.13396972 1\n C C6 1 0.96431822 0.32882203 0.38405444 1\n C C7 1 0.33733778 0.94571115 0.62554310 1\n C C8 1 0.58170281 0.70562538 0.53298067 1\n C C9 1 0.82645120 0.46496537 0.13814582 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54747000\n_cell_length_b 2.43854000\n_cell_length_c 6.53815000\n_cell_angle_alpha 89.02214000\n_cell_angle_beta 103.06185000\n_cell_angle_gamma 90.98291000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.55537839\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06189978 0.67656659 0.47762719 1\n C C1 1 0.33057976 0.16522171 1.03640647 1\n C C2 1 1.16199094 0.66496704 0.69901602 1\n C C3 1 0.20933536 1.16118949 0.80650340 1\n C C4 1 0.01333510 0.18041454 0.36938259 1\n C C5 1 0.89132606 0.17777153 0.13996723 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43384000\n_cell_length_b 4.16876000\n_cell_length_c 6.48551000\n_cell_angle_alpha 98.25656000\n_cell_angle_beta 100.79576000\n_cell_angle_gamma 89.96846000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 63.94449089\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43893137 0.70454423 0.51156842 1\n C C1 1 0.11070721 0.77686012 0.85366777 1\n C C2 1 0.89100949 0.83233625 0.41760208 1\n C C3 1 0.90968238 0.18807608 0.45716813 1\n C C4 1 0.22128760 0.77338433 0.07574886 1\n C C5 1 0.41871061 0.34823737 0.47419911 1\n C C6 1 0.55570028 0.77229943 0.74604371 1\n C C7 1 0.77570787 0.77429940 0.18256733 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48718000\n_cell_length_b 2.48753000\n_cell_length_c 6.57601000\n_cell_angle_alpha 100.90847000\n_cell_angle_beta 79.09177000\n_cell_angle_gamma 59.97893000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60480463\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16336153 0.14470936 0.50787200 1\n C C1 1 0.41368378 0.22755680 0.92388913 1\n C C2 1 0.41325372 0.89469887 0.25774322 1\n C C3 1 0.41377911 0.56090741 0.59068569 1\n C C4 1 0.16365617 0.81095381 0.84065555 1\n C C5 1 1.16342850 0.47783607 0.17419240 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32081000\n_cell_length_b 3.78528000\n_cell_length_c 3.91982000\n_cell_angle_alpha 91.96246000\n_cell_angle_beta 74.17784000\n_cell_angle_gamma 84.11875000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.05691471\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75888874 0.81390335 0.81386450 1\n C C1 1 0.19674533 0.29308384 0.89211030 1\n C C2 1 0.62597826 0.16108507 0.65382017 1\n C C3 1 0.94724399 0.44896077 0.63508305 1\n C C4 1 0.57409339 0.10650321 0.30217633 1\n C C5 1 0.99878076 -0.01579163 0.03715891 1\n C C6 1 0.37254716 0.80288970 0.14572994 1\n C C7 1 0.27719016 0.43952008 0.25241720 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49702000\n_cell_length_b 6.24455000\n_cell_length_c 5.82538000\n_cell_angle_alpha 112.58114000\n_cell_angle_beta 102.41729000\n_cell_angle_gamma 90.04589000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.55740082\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.15381122 0.14797294 0.06318324 1\n C C1 1 0.05270401 0.71897913 0.85746904 1\n C C2 1 0.85954037 0.33394491 0.44887136 1\n C C3 1 -0.23936982 0.91265649 0.27038829 1\n C C4 1 0.63536066 0.47878587 1.03258234 1\n C C5 1 0.73046964 0.13551846 0.21356743 1\n C C6 1 0.62765309 0.70783454 0.00866509 1\n C C7 1 0.13889644 0.37801911 0.04077657 1\n C C8 1 0.02742252 -0.05685384 0.80108203 1\n C C9 1 0.45547142 0.94102401 0.65730610 1\n C C10 1 0.94379166 0.51884038 0.62366228 1\n C C11 1 0.33279939 0.91495909 0.41411622 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44750000\n_cell_length_b 7.53839000\n_cell_length_c 6.12201000\n_cell_angle_alpha 93.53500000\n_cell_angle_beta 101.77569000\n_cell_angle_gamma 89.94668000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 110.35694131\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.35116635 0.98165561 0.55827242 1\n C C1 1 0.96307683 0.22038696 0.77756641 1\n C C2 1 1.07690044 0.77294273 1.00221166 1\n C C3 1 0.60457387 0.04764171 0.05110690 1\n C C4 1 0.88028701 1.06243977 0.61636014 1\n C C5 1 0.03448858 0.60315680 0.91736883 1\n C C6 1 0.09182477 0.15203100 1.02740247 1\n C C7 1 0.30570691 0.79747137 0.47564552 1\n C C8 1 0.49611627 0.51899167 0.84252894 1\n C C9 1 0.59130308 0.86904746 1.02917250 1\n C C10 1 0.16964074 0.31150953 0.18846518 1\n C C11 1 0.36868653 0.46624910 0.59233221 1\n C C12 1 0.80375047 0.50852244 0.46601030 1\n C C13 1 0.70726355 0.37931284 0.26527086 1\n C C14 1 0.45056268 0.32719816 0.75254670 1\n C C15 1 0.79442083 0.70781317 0.45291897 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48437000\n_cell_length_b 3.92611000\n_cell_length_c 6.87794000\n_cell_angle_alpha 66.16070000\n_cell_angle_beta 89.99712000\n_cell_angle_gamma 108.43283000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.57962191\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63211971 0.61866531 0.46582870 1\n C C1 1 0.04393789 0.44172747 0.82155982 1\n C C2 1 0.84164226 1.03434485 0.64950694 1\n C C3 1 0.45967688 0.27228198 0.95863150 1\n C C4 1 0.04761307 0.44935739 0.60281112 1\n C C5 1 0.23404682 0.82101217 1.00597624 1\n C C6 1 0.25244780 -0.14300460 0.77524242 1\n C C7 1 0.60369468 0.55802362 0.09409258 1\n C C8 1 0.48974240 0.33238974 0.33085549 1\n C C9 1 0.85916460 1.06949795 0.41915599 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42633000\n_cell_length_b 4.22567000\n_cell_length_c 4.22237000\n_cell_angle_alpha 92.90587000\n_cell_angle_beta 89.95294000\n_cell_angle_gamma 89.98296000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.23572771\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17279868 0.82797530 0.31087505 1\n C C1 1 0.17273587 0.41869942 0.89946268 1\n C C2 1 0.67273195 0.91178656 0.81744684 1\n C C3 1 0.67273930 0.26181347 -0.12233017 1\n C C4 1 0.17270463 0.76828693 0.96088505 1\n C C5 1 0.67270256 0.85107611 0.46783865 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34200000\n_cell_length_b 4.26020000\n_cell_length_c 6.83963000\n_cell_angle_alpha 133.33613000\n_cell_angle_beta 66.01636000\n_cell_angle_gamma 122.03233000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.90194814\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07217732 0.34576017 0.34742436 1\n C C1 1 0.09075350 0.17390589 0.61553377 1\n C C2 1 0.58393104 0.73027263 0.97037866 1\n C C3 1 0.06442327 0.58908898 1.09691912 1\n C C4 1 0.51186317 0.63876238 0.73496379 1\n C C5 1 1.03145117 0.78005782 0.60845785 1\n C C6 1 0.02402857 0.02348378 0.35790663 1\n C C7 1 0.76382351 0.38347880 0.87628584 1\n C C8 1 0.00499537 0.19512474 0.08981748 1\n C C9 1 0.33179677 -0.01444578 0.82912950 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33663000\n_cell_length_b 3.31756000\n_cell_length_c 4.68035000\n_cell_angle_alpha 89.78622000\n_cell_angle_beta 69.11491000\n_cell_angle_gamma 89.99741000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.40462015\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04083386 0.15009258 1.00812113 1\n C C1 1 0.88329025 0.31380246 0.32408010 1\n C C2 1 0.86468284 0.41545967 0.82091073 1\n C C3 1 0.17845213 0.37325039 0.49049211 1\n C C4 1 0.72322752 0.79594955 0.99462383 1\n C C5 1 0.55128056 0.66567656 0.33862153 1\n C C6 1 0.52109261 0.04614326 0.51155292 1\n C C7 1 0.50312733 0.08990512 0.84243415 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39279000\n_cell_length_b 2.45979000\n_cell_length_c 5.30908000\n_cell_angle_alpha 90.08701000\n_cell_angle_beta 95.34926000\n_cell_angle_gamma 110.94277000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17102689\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52634386 0.30363846 0.10221987 1\n C C1 1 0.62017216 0.85503777 0.50487675 1\n C C2 1 0.46617306 0.27712397 0.82690089 1\n C C3 1 0.81559874 0.45205150 0.63142024 1\n C C4 1 0.55069335 0.81571068 0.22950833 1\n C C5 1 0.27297433 0.68169462 0.69966103 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43784000\n_cell_length_b 4.20030000\n_cell_length_c 8.43826000\n_cell_angle_alpha 98.70421000\n_cell_angle_beta 90.00367000\n_cell_angle_gamma 90.00150000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.40976247\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79227445 0.40254494 0.36455211 1\n C C1 1 0.79228717 0.78092440 0.18079421 1\n C C2 1 -0.20774195 0.69481053 0.86765826 1\n C C3 1 0.29228261 0.37121903 0.44127138 1\n C C4 1 0.29227398 0.85489659 0.87757394 1\n C C5 1 0.79229673 0.43373097 0.19151003 1\n C C6 1 0.29228200 0.26120182 0.11665828 1\n C C7 1 0.29228124 0.29969046 0.59959188 1\n C C8 1 0.79228011 1.28207821 0.67882212 1\n C C9 1 0.29228106 -0.06717959 0.16548547 1\n C C10 1 0.79227918 0.34071536 0.85673622 1\n C C11 1 0.29227824 0.20900716 0.92700201 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.11432000\n_cell_length_b 2.43122000\n_cell_length_c 6.32349000\n_cell_angle_alpha 89.77674000\n_cell_angle_beta 77.63709000\n_cell_angle_gamma 112.52138000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.00569191\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01505785 0.65945834 0.53183156 1\n C C1 1 0.12790077 0.21557632 0.42073494 1\n C C2 1 0.79348966 0.54865630 0.75387557 1\n C C3 1 0.67928305 -0.00829903 0.86447207 1\n C C4 1 0.45833657 0.88092150 0.08657581 1\n C C5 1 0.34661190 0.32520257 0.19823984 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48584000\n_cell_length_b 4.14601000\n_cell_length_c 6.67763000\n_cell_angle_alpha 101.38760000\n_cell_angle_beta 90.00612000\n_cell_angle_gamma 90.00111000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.46694412\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34965052 0.86102732 0.78690352 1\n C C1 1 1.34970248 0.50564317 0.69905865 1\n C C2 1 0.34955486 0.43381409 0.47868558 1\n C C3 1 0.34982044 0.80895334 0.01104450 1\n C C4 1 0.34949012 0.07873370 0.38969283 1\n C C5 1 0.84966196 0.35902389 0.16743571 1\n C C6 1 0.84964913 1.01132863 0.71501353 1\n C C7 1 0.84953434 0.56088706 0.39269383 1\n C C8 1 0.34966326 1.13106371 0.16652272 1\n C C9 1 -0.15019853 0.58081439 1.01036120 1\n C C10 1 0.84952290 -0.07225846 0.46011356 1\n C C11 1 -0.15022927 0.37847655 0.78441087 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46523000\n_cell_length_b 3.36512000\n_cell_length_c 6.40656000\n_cell_angle_alpha 119.30254000\n_cell_angle_beta 95.28344000\n_cell_angle_gamma 101.04218000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.40409078\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68655227 0.00247953 0.60200404 1\n C C1 1 -0.14570274 0.01291669 0.84155261 1\n C C2 1 0.73322724 0.71773413 0.18177558 1\n C C3 1 0.61297853 0.53211721 0.36174418 1\n C C4 1 0.20728466 0.27413288 0.60205971 1\n C C5 1 0.15340228 0.55782328 1.02100605 1\n C C6 1 0.28033091 0.74466546 0.84175270 1\n C C7 1 0.03878815 0.26370523 0.36184603 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.23026000\n_cell_length_b 4.66142000\n_cell_length_c 5.62977000\n_cell_angle_alpha 100.15935000\n_cell_angle_beta 93.50041000\n_cell_angle_gamma 107.51004000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.98507282\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49871632 0.39596013 0.02262182 1\n C C1 1 0.77766040 0.64284656 0.41354215 1\n C C2 1 0.72872727 0.93521911 0.83760010 1\n C C3 1 0.17559666 0.42269649 0.81458669 1\n C C4 1 0.26543217 0.75247680 0.82074180 1\n C C5 1 0.34327227 0.20547627 0.62795109 1\n C C6 1 0.78913415 0.67395914 0.17962336 1\n C C7 1 0.03228722 -0.10516492 0.04722329 1\n C C8 1 0.31511277 0.18908954 0.17918662 1\n C C9 1 0.72058244 0.24684534 0.82930826 1\n C C10 1 1.01635080 0.86822844 0.63357077 1\n C C11 1 0.46878383 0.32601569 0.41154285 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51304000\n_cell_length_b 4.18900000\n_cell_length_c 4.11162000\n_cell_angle_alpha 60.60072000\n_cell_angle_beta 90.00357000\n_cell_angle_gamma 72.38890000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.36205245\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62571038 0.37864415 0.76562849 1\n C C1 1 0.23811208 0.15529258 0.37716327 1\n C C2 1 0.43532425 0.76672601 0.72178799 1\n C C3 1 0.43524013 0.76681290 0.05223585 1\n C C4 1 0.62552195 0.37889059 0.39642709 1\n C C5 1 0.23846141 0.15513298 1.00837810 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.19215000\n_cell_length_b 5.89585000\n_cell_length_c 3.74509000\n_cell_angle_alpha 88.35928000\n_cell_angle_beta 88.50238000\n_cell_angle_gamma 55.22570000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.86824634\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33301095 0.15724889 0.26342333 1\n C C1 1 0.25384136 0.69223522 0.26392979 1\n C C2 1 0.03921112 0.30772120 0.95135630 1\n C C3 1 0.25429448 0.69178399 0.63827809 1\n C C4 1 0.79322074 0.92435418 0.76879160 1\n C C5 1 0.33308674 0.15698625 0.63771610 1\n C C6 1 0.54968819 0.54245764 0.95156335 1\n C C7 1 0.79280262 0.92405773 0.13301565 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43173000\n_cell_length_b 4.11280000\n_cell_length_c 4.52106000\n_cell_angle_alpha 95.96027000\n_cell_angle_beta 74.10138000\n_cell_angle_gamma 89.85137000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.22864209\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97848866 0.35316430 0.55892396 1\n C C1 1 0.31182200 0.01983097 0.89225729 1\n C C2 1 0.75804134 0.90698963 1.00248834 1\n C C3 1 0.64515533 0.68649764 0.22559063 1\n C C4 1 0.09137467 0.57365630 0.33582167 1\n C C5 1 0.42470800 0.24032296 0.66915501 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39831000\n_cell_length_b 3.39891000\n_cell_length_c 4.11493000\n_cell_angle_alpha 78.51529000\n_cell_angle_beta 101.46586000\n_cell_angle_gamma 86.11502000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.36255738\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22176182 1.02679900 0.37719714 1\n C C1 1 0.48173828 0.24747379 0.16396982 1\n C C2 1 0.19249706 0.57599839 0.92854080 1\n C C3 1 0.00153478 0.76573761 0.16460858 1\n C C4 1 0.45349985 0.79638807 0.71591495 1\n C C5 1 0.67387501 0.05639013 0.92896609 1\n C C6 1 0.86460352 0.38315575 0.37409380 1\n C C7 1 0.80989559 0.43871456 0.71921672 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43185000\n_cell_length_b 4.60359000\n_cell_length_c 4.04153000\n_cell_angle_alpha 95.77665000\n_cell_angle_beta 89.92711000\n_cell_angle_gamma 74.44172000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34779118\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80529077 0.01961459 0.24136246 1\n C C1 1 -0.08311563 0.79867509 0.46471787 1\n C C2 1 0.25091568 1.13056140 1.12938223 1\n C C3 1 0.58329569 0.46572103 0.79827881 1\n C C4 1 0.13744587 0.35525133 -0.08854799 1\n C C5 1 0.47114281 0.68802306 0.57705762 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20592000\n_cell_length_b 4.45943000\n_cell_length_c 4.28102000\n_cell_angle_alpha 68.67435000\n_cell_angle_beta 119.62878000\n_cell_angle_gamma 129.54702000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.67650578\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.18409033 1.00469316 0.69790931 1\n C C1 1 0.51151407 -0.03567420 1.03625667 1\n C C2 1 0.73103344 0.81975715 0.70033396 1\n C C3 1 0.78549110 0.90602775 0.03721323 1\n C C4 1 0.56597173 0.05059640 0.37313594 1\n C C5 1 0.32226800 0.42070193 0.61928768 1\n C C6 1 0.97473717 0.44965162 0.45418221 1\n C C7 1 0.11291484 0.86566039 0.37556058 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48785000\n_cell_length_b 4.06266000\n_cell_length_c 5.31350000\n_cell_angle_alpha 75.90096000\n_cell_angle_beta 62.08229000\n_cell_angle_gamma 89.99249000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.61694033\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56133368 0.49494300 0.07069616 1\n C C1 1 0.03028583 0.46397964 0.60349077 1\n C C2 1 -0.16781152 0.92172211 0.30101835 1\n C C3 1 1.06647183 0.27039743 0.06550917 1\n C C4 1 0.48447637 0.92920451 0.64888564 1\n C C5 1 0.87066323 0.72817104 0.76293753 1\n C C6 1 0.33777229 0.69594321 0.29575917 1\n C C7 1 0.41550789 0.26279976 0.71819021 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43267000\n_cell_length_b 5.40724000\n_cell_length_c 6.36692000\n_cell_angle_alpha 88.56350000\n_cell_angle_beta 100.89048000\n_cell_angle_gamma 90.00940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 82.21558190\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81527981 0.52989247 0.75650718 1\n C C1 1 -0.03397932 0.91417805 0.06370117 1\n C C2 1 0.45853176 0.32294202 1.05051370 1\n C C3 1 0.40751941 0.83040547 0.94524459 1\n C C4 1 0.96983384 0.19729630 0.07447576 1\n C C5 1 0.38631737 0.54947999 0.90255499 1\n C C6 1 0.26909250 0.16440478 0.64534476 1\n C C7 1 0.29036877 0.90084523 0.70061896 1\n C C8 1 0.77271450 0.28747547 0.65365194 1\n C C9 1 0.07734612 0.80554402 0.28405520 1\n C C10 1 0.75068765 0.76733494 0.62281498 1\n C C11 1 0.62928899 0.77317175 0.38749887 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.23267000\n_cell_length_b 4.10902000\n_cell_length_c 5.52576000\n_cell_angle_alpha 92.02072000\n_cell_angle_beta 87.49730000\n_cell_angle_gamma 99.16192000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.36390750\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53135855 0.61921714 0.44082068 1\n C C1 1 0.13400337 0.21995383 0.19918321 1\n C C2 1 0.62030874 0.71222379 0.68272950 1\n C C3 1 0.37602878 0.46626974 0.81929675 1\n C C4 1 0.87771739 -0.03424161 0.80769115 1\n C C5 1 0.13110244 0.22058443 0.68283839 1\n C C6 1 0.22119589 0.31393230 0.44068547 1\n C C7 1 0.37976434 0.46552792 0.06256100 1\n C C8 1 0.62389943 0.71183499 0.19911523 1\n C C9 1 0.87821476 0.96582197 1.07326523 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46315000\n_cell_length_b 4.21904000\n_cell_length_c 6.07021000\n_cell_angle_alpha 98.42969000\n_cell_angle_beta 113.56431000\n_cell_angle_gamma 89.31006000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.12192629\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24076743 0.21483209 0.25713267 1\n C C1 1 0.24617895 0.48853019 0.89188125 1\n C C2 1 0.88531510 0.64729439 0.02466726 1\n C C3 1 0.24357905 0.66593948 0.52875749 1\n C C4 1 0.34585259 0.11783987 0.88312646 1\n C C5 1 0.85170862 0.51247501 0.62634225 1\n C C6 1 0.96181082 0.01140301 0.01697275 1\n C C7 1 0.62231380 0.16762098 0.50991605 1\n C C8 1 0.20743047 1.01534418 0.60556664 1\n C C9 1 0.09837768 0.53938270 0.26576198 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44653000\n_cell_length_b 4.58616000\n_cell_length_c 6.15628000\n_cell_angle_alpha 97.46691000\n_cell_angle_beta 78.46510000\n_cell_angle_gamma 105.63587000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.96282552\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25860338 0.55929943 0.36692059 1\n C C1 1 0.82215392 0.93561524 0.61424725 1\n C C2 1 0.50471749 0.41052025 0.72258507 1\n C C3 1 0.46922186 0.76874607 0.15241578 1\n C C4 1 0.15383153 0.24364513 0.26128726 1\n C C5 1 0.60636111 0.09948109 0.21837326 1\n C C6 1 0.37189217 0.08043894 0.65531049 1\n C C7 1 0.98620923 0.49800817 0.84550924 1\n C C8 1 0.71652394 0.61963399 0.50990248 1\n C C9 1 -0.01412443 0.68067939 1.03022618 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43123000\n_cell_length_b 3.26355000\n_cell_length_c 8.04781000\n_cell_angle_alpha 107.07577000\n_cell_angle_beta 101.73089000\n_cell_angle_gamma 97.10344000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.60692505\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45105727 0.35467108 0.49309011 1\n C C1 1 0.70105480 0.85444707 0.24315737 1\n C C2 1 0.11803696 0.68837813 0.15978367 1\n C C3 1 0.36803449 0.18815412 0.90985093 1\n C C4 1 0.61803363 0.68855778 0.65972571 1\n C C5 1 0.86803747 0.18877888 0.40965934 1\n C C6 1 0.20105813 0.85426742 0.74321533 1\n C C7 1 0.95105429 0.35404632 0.99328170 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27380000\n_cell_length_b 3.27538000\n_cell_length_c 3.63118000\n_cell_angle_alpha 75.48035000\n_cell_angle_beta 75.53534000\n_cell_angle_gamma 80.80237000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.30171380\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77494407 0.81484343 0.45116092 1\n C C1 1 1.14680681 0.22946330 0.83217499 1\n C C2 1 0.56199673 0.60154092 0.21353698 1\n C C3 1 0.41309732 0.17515434 0.45115099 1\n C C4 1 0.20152341 -0.03670501 0.21340440 1\n C C5 1 0.83021346 0.54634531 0.83241273 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46946000\n_cell_length_b 3.23585000\n_cell_length_c 5.18732000\n_cell_angle_alpha 90.19330000\n_cell_angle_beta 90.00254000\n_cell_angle_gamma 112.48307000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.30001740\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10056349 0.85604470 0.92855762 1\n C C1 1 0.28025489 0.21631401 0.70866795 1\n C C2 1 1.09896655 0.85259997 0.49060538 1\n C C3 1 0.91826157 0.49286523 0.70853593 1\n C C4 1 0.60058504 0.85569055 0.08121052 1\n C C5 1 0.59896226 0.85242064 0.33776511 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48057000\n_cell_length_b 3.68693000\n_cell_length_c 4.21924000\n_cell_angle_alpha 75.16962000\n_cell_angle_beta 89.88579000\n_cell_angle_gamma 70.42786000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99819433\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.30496647 0.10907057 0.80430667 1\n C C1 1 0.65606676 0.18060183 0.43893787 1\n C C2 1 1.11681979 0.26555668 0.93537410 1\n C C3 1 0.43600072 0.62548376 0.23249134 1\n C C4 1 0.23453782 0.02338580 0.30813285 1\n C C5 1 -0.08312983 0.66367667 0.01060218 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48749000\n_cell_length_b 3.51729000\n_cell_length_c 4.30473000\n_cell_angle_alpha 114.09146000\n_cell_angle_beta 106.78789000\n_cell_angle_gamma 90.01677000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61467063\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23368757 0.40872931 0.17800874 1\n C C1 1 0.73350324 0.15845483 0.17796216 1\n C C2 1 0.90054471 1.07538737 0.51133337 1\n C C3 1 0.56741808 0.74204493 0.84467250 1\n C C4 1 0.06723374 0.49177046 0.84462592 1\n C C5 1 0.40037661 0.82511240 0.51130130 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42912000\n_cell_length_b 3.01297000\n_cell_length_c 6.41069000\n_cell_angle_alpha 76.21641000\n_cell_angle_beta 100.76846000\n_cell_angle_gamma 81.24186000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.80294354\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48428359 -0.11862277 0.90128756 1\n C C1 1 0.15316410 0.87272357 0.23597757 1\n C C2 1 0.81834793 0.87881334 0.56874193 1\n C C3 1 0.37376088 -0.11826278 0.67931968 1\n C C4 1 0.70966905 0.87253937 0.34765856 1\n C C5 1 1.04173505 0.87732447 1.01343261 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43062000\n_cell_length_b 5.65596000\n_cell_length_c 7.01046000\n_cell_angle_alpha 73.25439000\n_cell_angle_beta 69.53680000\n_cell_angle_gamma 90.04359000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.91048300\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66122472 0.72397481 0.84936520 1\n C C1 1 1.32789139 1.05730815 0.18269853 1\n C C2 1 -0.17204365 0.55788039 0.18269659 1\n C C3 1 0.49462302 -0.10878628 0.51602992 1\n C C4 1 0.60510903 0.44809307 0.40499557 1\n C C5 1 1.16128969 0.22454706 0.84936325 1\n C C6 1 0.27177570 0.78142641 0.73832891 1\n C C7 1 1.10518272 -0.05263931 0.40497461 1\n C C8 1 0.43851606 0.61402735 1.07164127 1\n C C9 1 -0.00544194 0.39064148 0.51603187 1\n C C10 1 -0.22815061 0.28069402 0.73830794 1\n C C11 1 0.93844237 0.11475974 0.07166224 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48175000\n_cell_length_b 3.74409000\n_cell_length_c 3.84293000\n_cell_angle_alpha 89.94655000\n_cell_angle_beta 89.97692000\n_cell_angle_gamma 90.00194000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.70808497\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20290074 0.93720000 0.54547143 1\n C C1 1 0.20298733 -0.06223362 0.95619114 1\n C C2 1 0.20290648 0.67073540 0.25082580 1\n C C3 1 0.70290122 0.44156719 0.25045001 1\n C C4 1 0.70301370 0.17513728 0.95577206 1\n C C5 1 0.70292673 0.17457395 0.54504746 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.65337000\n_cell_length_b 6.07923000\n_cell_length_c 5.00736000\n_cell_angle_alpha 102.76229000\n_cell_angle_beta 123.74712000\n_cell_angle_gamma 103.39087000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 103.32992234\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23907529 0.77531230 0.53900431 1\n C C1 1 0.84117165 0.63011005 0.24808505 1\n C C2 1 1.00074189 0.17506240 0.33734430 1\n C C3 1 0.26743507 0.35165757 0.69513906 1\n C C4 1 0.80288733 0.37513596 0.74120783 1\n C C5 1 0.18348718 0.45445599 -0.09691927 1\n C C6 1 0.56478022 0.77561121 0.53958965 1\n C C7 1 0.27784458 -0.07994855 0.83010537 1\n C C8 1 0.52561394 0.62863857 0.24908465 1\n C C9 1 0.66283672 0.45558482 0.90184333 1\n C C10 1 0.53595026 0.19695044 0.38417518 1\n C C11 1 1.14067406 0.09384381 0.17642933 1\n C C12 1 0.96269905 0.91946785 0.83018810 1\n C C13 1 0.61993787 0.09369096 0.17653072 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46177000\n_cell_length_b 4.61903000\n_cell_length_c 3.45580000\n_cell_angle_alpha 92.62991000\n_cell_angle_beta 94.67901000\n_cell_angle_gamma 68.42184000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.20685387\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54757629 0.57023698 0.86001969 1\n C C1 1 1.01562938 0.59758799 0.34867327 1\n C C2 1 0.10345547 0.25432102 0.29041087 1\n C C3 1 0.22347361 0.73309949 0.60477275 1\n C C4 1 0.77244075 0.24329649 0.94729134 1\n C C5 1 0.13578296 0.07609861 0.66456741 1\n C C6 1 0.46741342 1.08705571 0.00789891 1\n C C7 1 0.69142672 0.76015002 1.09277016 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43170000\n_cell_length_b 4.20348000\n_cell_length_c 8.53230000\n_cell_angle_alpha 84.49002000\n_cell_angle_beta 81.68302000\n_cell_angle_gamma 90.01120000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.88902935\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30765154 0.69194240 0.92666349 1\n C C1 1 1.04897040 0.56720324 0.59339583 1\n C C2 1 0.71733593 0.85475850 0.26013315 1\n C C3 1 0.30728819 0.35909099 0.92729461 1\n C C4 1 0.80764194 0.19192678 0.92668035 1\n C C5 1 0.54896525 1.06721357 0.59340289 1\n C C6 1 0.80730274 0.85910669 0.92727076 1\n C C7 1 0.71710550 0.52196618 0.26003444 1\n C C8 1 0.54925927 0.73433679 0.59349583 1\n C C9 1 0.21734026 0.35476310 0.26014272 1\n C C10 1 0.21711234 0.02196150 0.26003461 1\n C C11 1 0.04925825 0.23434796 0.59350851 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48475000\n_cell_length_b 4.08647000\n_cell_length_c 4.67957000\n_cell_angle_alpha 83.34710000\n_cell_angle_beta 74.61225000\n_cell_angle_gamma 89.99912000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.48042873\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80509206 0.74408632 0.09091231 1\n C C1 1 0.30396824 0.97059551 0.09320908 1\n C C2 1 0.07654952 0.68249526 0.54943884 1\n C C3 1 0.13460153 0.03801273 0.43435719 1\n C C4 1 0.42276018 0.27643481 0.86041051 1\n C C5 1 0.59273688 0.20896470 0.51962478 1\n C C6 1 0.64855903 0.56460216 0.40443973 1\n C C7 1 -0.07852025 0.50253911 0.86279776 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42707000\n_cell_length_b 4.21137000\n_cell_length_c 6.00907000\n_cell_angle_alpha 107.67412000\n_cell_angle_beta 94.44922000\n_cell_angle_gamma 103.37025000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.20698000\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86271862 0.94095955 0.01172307 1\n C C1 1 0.27851938 0.77454198 0.92734806 1\n C C2 1 0.52856647 0.27463546 0.67786496 1\n C C3 1 0.77848311 0.77507727 0.42645421 1\n C C4 1 0.02860849 0.27488735 0.17747849 1\n C C5 1 0.61251921 0.44188133 0.25974519 1\n C C6 1 0.36265922 0.94129732 0.51109279 1\n C C7 1 0.11246229 0.44135344 0.76054404 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51384000\n_cell_length_b 4.11094000\n_cell_length_c 4.18724000\n_cell_angle_alpha 119.37410000\n_cell_angle_beta 107.50256000\n_cell_angle_gamma 90.06156000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.38346015\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33596998 0.23722747 0.71970238 1\n C C1 1 0.52958839 0.58159109 0.10793366 1\n C C2 1 0.52975865 0.91251267 0.10824810 1\n C C3 1 -0.27692034 0.25668193 0.49596886 1\n C C4 1 0.33631146 0.86844726 0.72005084 1\n C C5 1 0.72310756 0.62537368 0.49605516 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48784000\n_cell_length_b 4.30474000\n_cell_length_c 4.30387000\n_cell_angle_alpha 99.58989000\n_cell_angle_beta 90.02121000\n_cell_angle_gamma 106.77708000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.45633441\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60682685 0.38788550 0.09512699 1\n C C1 1 0.54368989 0.26263583 0.40726857 1\n C C2 1 0.10682685 0.38788550 0.59512699 1\n C C3 1 0.35666937 -0.11211272 0.34516442 1\n C C4 1 0.85666937 0.88788728 0.84516442 1\n C C5 1 0.04368989 0.26263583 0.90726857 1\n C C6 1 0.79353242 0.76263760 1.15730599 1\n C C7 1 0.29353242 0.76263760 0.65730599 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48336000\n_cell_length_b 4.26681000\n_cell_length_c 6.56623000\n_cell_angle_alpha 115.51857000\n_cell_angle_beta 112.27534000\n_cell_angle_gamma 89.98115000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.98565411\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31354878 0.00464055 0.34115215 1\n C C1 1 0.85958973 0.53395783 0.38492475 1\n C C2 1 0.14091782 0.72139313 0.66795399 1\n C C3 1 1.20963084 0.42275090 0.73525654 1\n C C4 1 0.59949801 1.19217925 0.62458820 1\n C C5 1 0.72165437 0.94852403 0.74892827 1\n C C6 1 0.24831838 0.30334434 0.27398048 1\n C C7 1 0.73246136 0.77739091 0.26027463 1\n C C8 1 0.47312477 0.46798235 0.00118649 1\n C C9 1 0.98026064 0.25834470 1.00813570 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48149000\n_cell_length_b 6.55335000\n_cell_length_c 7.10079000\n_cell_angle_alpha 113.91337000\n_cell_angle_beta 97.96976000\n_cell_angle_gamma 83.26552000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 104.30357814\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96455108 0.13999037 0.94740022 1\n C C1 1 0.47646499 0.01095219 0.29220802 1\n C C2 1 0.37837217 0.46933796 0.56344923 1\n C C3 1 0.70610602 0.80259459 0.56769885 1\n C C4 1 0.84925742 0.89887032 0.83230871 1\n C C5 1 1.03546326 0.27442677 0.83498185 1\n C C6 1 0.99894191 0.26148698 0.15213379 1\n C C7 1 0.54243838 0.57708982 0.12715685 1\n C C8 1 0.46527947 0.80189699 0.11599543 1\n C C9 1 0.51142670 0.42490125 -0.10198128 1\n C C10 1 0.21880700 0.65158187 0.47808144 1\n C C11 1 0.56009032 0.01306841 0.51778781 1\n C C12 1 0.40948513 0.80121498 0.90166932 1\n C C13 1 0.02975056 0.15586775 0.60851734 1\n C C14 1 -0.05761547 0.15496662 0.29320634 1\n C C15 1 0.43910821 0.56659051 0.78525025 1\n C C16 1 0.09738498 0.51944950 0.23048097 1\n C C17 1 -0.07514753 0.32244434 0.50570206 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46029000\n_cell_length_b 3.39775000\n_cell_length_c 6.02979000\n_cell_angle_alpha 70.64999000\n_cell_angle_beta 101.74430000\n_cell_angle_gamma 68.71070000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.19682294\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62659456 1.02395596 0.52055233 1\n C C1 1 0.40033622 0.87942205 0.92291591 1\n C C2 1 0.78772867 0.63477703 0.45230537 1\n C C3 1 0.25843999 0.56779351 0.32547099 1\n C C4 1 0.01489082 0.77860893 0.04993009 1\n C C5 1 0.15617503 0.09084772 0.64742310 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42831000\n_cell_length_b 5.46235000\n_cell_length_c 5.36907000\n_cell_angle_alpha 106.78033000\n_cell_angle_beta 90.28324000\n_cell_angle_gamma 75.11291000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.71096194\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55872264 0.53490884 0.75399588 1\n C C1 1 0.66457750 0.35374070 -0.07022270 1\n C C2 1 0.05377360 0.54089338 0.62226259 1\n C C3 1 0.86700313 1.01095079 0.43139575 1\n C C4 1 -0.12270071 0.98384404 0.16061888 1\n C C5 1 0.37243878 0.98993940 1.02900602 1\n C C6 1 0.27155420 0.17060097 0.85335147 1\n C C7 1 0.59457022 0.47033876 0.21693509 1\n C C8 1 0.34163787 0.05365513 0.56600470 1\n C C9 1 1.06766306 0.51373569 0.35134131 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44947000\n_cell_length_b 6.22816000\n_cell_length_c 5.22676000\n_cell_angle_alpha 117.96679000\n_cell_angle_beta 89.98868000\n_cell_angle_gamma 113.17360000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.05306750\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38254369 0.89063338 -0.02428213 1\n C C1 1 0.15414876 0.16215678 0.89220390 1\n C C2 1 0.69763395 0.20495963 0.07875056 1\n C C3 1 0.26582000 0.27306419 0.69393424 1\n C C4 1 0.60862942 0.61539657 0.46506374 1\n C C5 1 0.93168134 0.43818567 0.40316984 1\n C C6 1 0.81604197 0.32489576 0.60395505 1\n C C7 1 0.84057744 0.84831089 0.78886019 1\n C C8 1 0.71869989 0.72703340 0.26304609 1\n C C9 1 0.27335224 0.78018083 0.17450553 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31634000\n_cell_length_b 3.51304000\n_cell_length_c 3.51937000\n_cell_angle_alpha 120.23313000\n_cell_angle_beta 90.06083000\n_cell_angle_gamma 90.09810000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.42508953\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82428129 0.16697024 0.09839453 1\n C C1 1 0.32480307 0.70308681 0.17166556 1\n C C2 1 0.15791008 0.47279238 0.40415537 1\n C C3 1 0.49042505 0.16791183 0.40321241 1\n C C4 1 -0.00947373 0.70288510 -0.13278325 1\n C C5 1 0.65745814 0.39829474 0.86687668 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.04725000\n_cell_length_b 4.31256000\n_cell_length_c 4.61023000\n_cell_angle_alpha 106.42192000\n_cell_angle_beta 90.74675000\n_cell_angle_gamma 109.08709000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.44550820\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74067080 0.89513659 0.58232399 1\n C C1 1 0.36517045 0.22512273 0.96768327 1\n C C2 1 0.93921140 0.39688158 0.38689541 1\n C C3 1 0.36537394 0.89957221 -0.03071797 1\n C C4 1 0.54680528 0.72527444 0.78086129 1\n C C5 1 0.12757426 -0.09947573 0.20474898 1\n C C6 1 0.12727842 0.22604879 0.20289803 1\n C C7 1 0.74355332 0.22618138 0.58423441 1\n C C8 1 0.93731249 0.72540723 0.38827303 1\n C C9 1 0.54908106 0.39714138 0.77974169 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51278000\n_cell_length_b 3.82612000\n_cell_length_c 6.27105000\n_cell_angle_alpha 73.07060000\n_cell_angle_beta 82.94511000\n_cell_angle_gamma 83.21086000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.02540838\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07807399 0.72651907 0.44337944 1\n C C1 1 0.04120243 0.98269319 0.25190792 1\n C C2 1 0.28860829 0.36854647 0.41987900 1\n C C3 1 0.87075244 0.82318757 0.65001451 1\n C C4 1 0.24896620 -0.11389378 1.04530405 1\n C C5 1 0.83241567 0.34114184 0.27508588 1\n C C6 1 0.80613510 0.47735941 0.85005073 1\n C C7 1 0.78524957 0.63900299 1.05196505 1\n C C8 1 0.33521400 1.07053401 0.64319841 1\n C C9 1 0.30887360 0.23189493 0.84540449 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46886000\n_cell_length_b 3.37286000\n_cell_length_c 6.10817000\n_cell_angle_alpha 121.55397000\n_cell_angle_beta 78.38352000\n_cell_angle_gamma 111.44792000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.33846054\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11985528 0.75522482 0.43956625 1\n C C1 1 0.70626022 0.05229061 0.56399796 1\n C C2 1 0.27520609 0.58551697 -0.03918786 1\n C C3 1 0.89699532 0.23378912 0.35988530 1\n C C4 1 0.31108728 0.93723840 0.23535447 1\n C C5 1 0.74786291 0.40768838 0.83804907 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45822000\n_cell_length_b 7.03448000\n_cell_length_c 5.78851000\n_cell_angle_alpha 76.19922000\n_cell_angle_beta 88.12812000\n_cell_angle_gamma 72.67826000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.71895144\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43316058 0.81390125 0.79452615 1\n C C1 1 0.56365773 0.58759489 0.85844119 1\n C C2 1 0.47190300 -0.01071776 0.58465835 1\n C C3 1 0.75187837 0.85275559 0.17008537 1\n C C4 1 0.54925685 -0.00559173 0.32777302 1\n C C5 1 0.94965073 0.13276561 0.87589846 1\n C C6 1 1.34962241 0.21705242 0.18808031 1\n C C7 1 0.89046000 0.12014408 0.62881574 1\n C C8 1 0.14550565 0.48112491 0.78200652 1\n C C9 1 0.55936644 0.54434368 0.13453648 1\n C C10 1 0.75303737 0.32341548 0.24356440 1\n C C11 1 0.34927418 0.24514761 0.92501594 1\n C C12 1 0.12316990 0.46144579 0.51830397 1\n C C13 1 0.21561626 0.90937583 1.00231932 1\n C C14 1 0.98059566 0.61989234 0.24854437 1\n C C15 1 0.72380106 0.33512432 0.49089971 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45458000\n_cell_length_b 4.19544000\n_cell_length_c 5.52380000\n_cell_angle_alpha 61.45448000\n_cell_angle_beta 102.87758000\n_cell_angle_gamma 90.02651000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.33765075\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40676900 0.68374837 0.74040248 1\n C C1 1 0.66754293 0.08533835 0.26245103 1\n C C2 1 1.13584133 0.94394422 0.20007056 1\n C C3 1 0.84229578 -0.07830868 0.60947542 1\n C C4 1 0.11239446 0.66194972 0.15018921 1\n C C5 1 0.58070991 0.52065785 0.08795303 1\n C C6 1 0.37746691 0.37672210 0.68109683 1\n C C7 1 0.87286689 0.22838478 0.66924354 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48110000\n_cell_length_b 3.68676000\n_cell_length_c 4.21180000\n_cell_angle_alpha 104.60161000\n_cell_angle_beta 89.97603000\n_cell_angle_gamma 70.41616000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97257173\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29341894 0.49043950 0.59524777 1\n C C1 1 0.49250293 0.09216945 0.67019469 1\n C C2 1 0.07040392 -0.06464101 0.80128187 1\n C C3 1 0.81230490 0.45294769 0.37270217 1\n C C4 1 0.61477028 0.85110481 0.29775525 1\n C C5 1 0.03661233 0.00786594 0.16659114 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.59884000\n_cell_length_b 4.74862000\n_cell_length_c 6.85217000\n_cell_angle_alpha 80.20393000\n_cell_angle_beta 93.92484000\n_cell_angle_gamma 110.38065000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 108.16395069\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70749997 0.45372763 0.80522607 1\n C C1 1 0.26455913 0.24635633 0.76349979 1\n C C2 1 0.81127539 0.37001693 0.46928044 1\n C C3 1 0.27303148 0.92307916 0.79646694 1\n C C4 1 0.29779468 0.14488401 0.21257670 1\n C C5 1 0.81961716 0.60220002 0.59956858 1\n C C6 1 0.47035325 0.66789053 0.50929417 1\n C C7 1 0.61393084 0.75848739 0.30313516 1\n C C8 1 0.18984291 0.33129245 0.53680717 1\n C C9 1 1.12630981 0.32661848 0.09002525 1\n C C10 1 0.04275546 0.60915189 0.11257923 1\n C C11 1 -0.12845461 0.71987699 0.91807969 1\n C C12 1 0.36867267 0.14904500 0.44233958 1\n C C13 1 0.42456828 -0.10976179 0.13990723 1\n C C14 1 0.81682290 0.57793030 0.28245935 1\n C C15 1 0.94403980 0.24723983 0.89478419 1\n C C16 1 0.63106663 0.93289554 0.93523312 1\n C C17 1 0.24616843 0.84019061 0.58560613 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20845000\n_cell_length_b 3.32216000\n_cell_length_c 4.85473000\n_cell_angle_alpha 77.30008000\n_cell_angle_beta 89.91922000\n_cell_angle_gamma 62.66205000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.42947123\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04104209 1.05392350 0.94315266 1\n C C1 1 0.04102024 1.05389367 0.44312185 1\n C C2 1 0.70769312 0.05338122 0.44312538 1\n C C3 1 0.54103529 0.05391057 0.69312140 1\n C C4 1 0.70770640 1.05330839 0.94316546 1\n C C5 1 0.20772145 1.05332528 0.19316501 1\n C C6 1 0.54104857 0.05383774 0.19316148 1\n C C7 1 0.20769960 0.05329546 0.69313420 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45371000\n_cell_length_b 4.77523000\n_cell_length_c 6.16793000\n_cell_angle_alpha 96.16836000\n_cell_angle_beta 89.96442000\n_cell_angle_gamma 104.96619000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.38640090\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26602811 0.55209029 0.56765412 1\n C C1 1 0.09225190 0.20589384 0.52809236 1\n C C2 1 1.00303207 1.02670176 0.71847286 1\n C C3 1 0.39971695 0.82651592 0.00430686 1\n C C4 1 0.69319277 0.40463405 0.24314103 1\n C C5 1 0.67047445 0.36259093 1.00308759 1\n C C6 1 0.53129593 0.08332745 0.86730150 1\n C C7 1 0.28361041 0.58499727 0.32657680 1\n C C8 1 0.42383650 0.86866419 0.24430322 1\n C C9 1 0.80953386 0.64666185 0.91986740 1\n C C10 1 -0.16951400 0.68250488 0.67935107 1\n C C11 1 0.56238075 0.14844338 0.37998087 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.05031000\n_cell_length_b 4.60405000\n_cell_length_c 6.28455000\n_cell_angle_alpha 95.53689000\n_cell_angle_beta 100.32959000\n_cell_angle_gamma 105.11751000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 137.19642774\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50614449 0.07858595 0.02496310 1\n C C1 1 0.13005067 0.60788807 0.20083954 1\n C C2 1 0.98150987 0.11334034 0.41585569 1\n C C3 1 0.00248944 1.02442488 0.63716490 1\n C C4 1 0.41333099 0.77493943 0.56175416 1\n C C5 1 0.34731115 -0.10815707 0.34371028 1\n C C6 1 0.01680498 0.53112250 0.76060165 1\n C C7 1 0.33529967 0.27555445 0.99327626 1\n C C8 1 0.00245737 0.66104406 0.98124964 1\n C C9 1 0.69376261 0.01758269 0.68680706 1\n C C10 1 0.26525708 0.20442861 0.38028163 1\n C C11 1 0.77765549 0.29768933 0.40022346 1\n C C12 1 0.83150720 0.82277901 0.02736409 1\n C C13 1 0.21648562 0.32351588 0.76671579 1\n C C14 1 0.10343149 0.74840802 0.60402588 1\n C C15 1 0.80118050 0.84337764 0.25516502 1\n C C16 1 0.42852477 0.42761924 0.59718912 1\n C C17 1 0.25759586 0.36001856 0.18156917 1\n C C18 1 0.71202340 0.33677476 0.62656295 1\n C C19 1 0.91588779 0.59790101 0.35333141 1\n C C20 1 0.67743953 0.98543762 0.90908316 1\n C C21 1 0.58019032 1.01206104 0.24814894 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26687000\n_cell_length_b 3.42468000\n_cell_length_c 4.73955000\n_cell_angle_alpha 114.61923000\n_cell_angle_beta 89.98736000\n_cell_angle_gamma 90.17194000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.20550492\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01708760 1.04085628 0.90982463 1\n C C1 1 0.73603916 0.23613396 0.74412818 1\n C C2 1 0.23515513 0.70508199 0.38007014 1\n C C3 1 0.16756581 0.23666117 0.24396719 1\n C C4 1 0.38852712 0.89967249 0.71402193 1\n C C5 1 0.66679745 0.70417437 0.88002410 1\n C C6 1 0.51676508 -0.09969240 0.21426852 1\n C C7 1 0.88893546 1.04102743 0.41012310 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.58938000\n_cell_length_b 4.43675000\n_cell_length_c 4.69439000\n_cell_angle_alpha 57.49156000\n_cell_angle_beta 70.54642000\n_cell_angle_gamma 73.25609000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.88376324\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35433991 0.72362557 0.38101530 1\n C C1 1 0.78843934 0.99747093 0.83946128 1\n C C2 1 0.21351693 0.11852846 0.24630725 1\n C C3 1 0.76545374 0.64334794 0.16899275 1\n C C4 1 1.01472105 0.55135280 0.43692623 1\n C C5 1 0.60207152 0.63168431 0.64919715 1\n C C6 1 0.57177441 0.00950216 0.60463320 1\n C C7 1 0.79755430 0.26552062 0.21293648 1\n C C8 1 0.58067617 0.27728232 0.97847455 1\n C C9 1 0.15481193 0.15662160 0.57151730 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52129000\n_cell_length_b 4.70025000\n_cell_length_c 5.41228000\n_cell_angle_alpha 79.22276000\n_cell_angle_beta 70.60399000\n_cell_angle_gamma 73.19238000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.62001874\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24759955 0.52069090 0.78289380 1\n C C1 1 0.49853998 0.17075862 0.73265447 1\n C C2 1 0.32306536 0.48270248 0.20833857 1\n C C3 1 0.92275246 0.72040713 0.36429519 1\n C C4 1 0.82349680 -0.02799084 0.15097243 1\n C C5 1 0.15039863 0.08674339 0.58194582 1\n C C6 1 0.42252557 0.20879090 0.30744668 1\n C C7 1 0.30284557 0.74577902 0.53398574 1\n C C8 1 0.59566701 0.60473148 -0.06621959 1\n C C9 1 0.44391195 0.94512711 -0.01833232 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42656000\n_cell_length_b 4.22380000\n_cell_length_c 4.87453000\n_cell_angle_alpha 88.76896000\n_cell_angle_beta 60.10524000\n_cell_angle_gamma 89.99629000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.29964577\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22404592 0.97558980 0.40524941 1\n C C1 1 0.88082757 0.00098366 0.24877483 1\n C C2 1 0.28955050 0.40917841 0.84018270 1\n C C3 1 0.22950907 0.06076013 0.90014735 1\n C C4 1 0.81504655 0.56570758 0.81492235 1\n C C5 1 0.87560268 0.91464332 0.75408826 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49967000\n_cell_length_b 4.26067000\n_cell_length_c 5.15009000\n_cell_angle_alpha 118.95110000\n_cell_angle_beta 90.00970000\n_cell_angle_gamma 89.99742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.99543122\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69603034 0.14191709 0.74044479 1\n C C1 1 0.19599628 0.35256189 0.76704154 1\n C C2 1 0.69595373 0.84018102 0.82030333 1\n C C3 1 0.69579009 0.84748644 0.40034430 1\n C C4 1 0.69557270 0.54582152 0.48061960 1\n C C5 1 0.19567918 0.33543399 0.45473653 1\n C C6 1 0.19578119 -0.07345457 0.27454267 1\n C C7 1 0.19598559 0.76119571 -0.05412346 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44326000\n_cell_length_b 7.32103000\n_cell_length_c 6.30792000\n_cell_angle_alpha 115.57705000\n_cell_angle_beta 89.99255000\n_cell_angle_gamma 120.04581000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 84.65907921\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12470759 0.84211124 0.50958891 1\n C C1 1 0.56677144 0.30469835 -0.08708276 1\n C C2 1 -0.10005747 0.19345700 0.80713243 1\n C C3 1 0.56633877 0.30495881 0.24043578 1\n C C4 1 0.54238865 0.95354501 0.18693838 1\n C C5 1 0.87544901 0.84202841 1.18083256 1\n C C6 1 0.89957920 0.19371582 0.23488826 1\n C C7 1 0.85893076 0.49824922 0.17326246 1\n C C8 1 0.54209583 -0.04657391 0.61483407 1\n C C9 1 0.58564551 0.64931055 0.24873112 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48183000\n_cell_length_b 3.68787000\n_cell_length_c 4.21839000\n_cell_angle_alpha 75.10968000\n_cell_angle_beta 90.01314000\n_cell_angle_gamma 70.34807000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98000331\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63883218 0.90946472 0.60685096 1\n C C1 1 0.18701292 0.81993309 0.11151787 1\n C C2 1 0.96277828 0.26605249 0.90500975 1\n C C3 1 0.21759178 0.75210301 0.47656346 1\n C C4 1 0.76514500 0.66361102 -0.01928344 1\n C C5 1 0.44234924 0.30613367 0.68328869 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43180000\n_cell_length_b 4.20319000\n_cell_length_c 5.60547000\n_cell_angle_alpha 89.50445000\n_cell_angle_beta 89.54330000\n_cell_angle_gamma 90.15164000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.29111398\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29771769 0.73068247 -0.01790004 1\n C C1 1 0.22051851 0.35842563 0.48549888 1\n C C2 1 0.79801702 0.56337810 -0.01798053 1\n C C3 1 0.22019254 1.02578082 0.48556287 1\n C C4 1 0.72047542 0.85842579 0.48548235 1\n C C5 1 0.79770720 0.23071835 0.98210688 1\n C C6 1 0.72015654 0.52576971 0.48555137 1\n C C7 1 0.29802616 0.06332532 -0.01797969 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48796000\n_cell_length_b 4.30661000\n_cell_length_c 5.56238000\n_cell_angle_alpha 82.58443000\n_cell_angle_beta 102.93392000\n_cell_angle_gamma 73.18896000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.39172177\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15925387 0.38964210 0.95963188 1\n C C1 1 0.11126891 0.83924352 0.31049560 1\n C C2 1 0.70959901 0.43952492 1.10967621 1\n C C3 1 0.96054395 0.18946111 0.35938858 1\n C C4 1 0.76063993 -0.01099210 0.75992645 1\n C C5 1 0.30939712 1.03948475 0.90970546 1\n C C6 1 0.36189761 0.58912293 0.56050672 1\n C C7 1 0.91084073 0.63938406 0.71039579 1\n C C8 1 0.51147579 0.23916509 0.50947534 1\n C C9 1 0.55999577 0.78929722 0.16038836 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48113000\n_cell_length_b 3.68905000\n_cell_length_c 4.84312000\n_cell_angle_alpha 122.61548000\n_cell_angle_beta 104.76185000\n_cell_angle_gamma 70.36004000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01464951\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31305530 0.41972720 0.21668924 1\n C C1 1 0.77361103 1.00223119 0.71291531 1\n C C2 1 0.19521946 0.29007643 0.84405810 1\n C C3 1 0.51434579 -0.05384651 0.14127864 1\n C C4 1 -0.00486280 0.76305644 0.91926431 1\n C C5 1 0.73469783 0.70750675 0.34772480 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47583000\n_cell_length_b 3.72343000\n_cell_length_c 4.24678000\n_cell_angle_alpha 63.98373000\n_cell_angle_beta 90.00491000\n_cell_angle_gamma 90.01457000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18226372\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03247734 0.08007694 0.49903829 1\n C C1 1 0.46745005 0.46840298 0.72210297 1\n C C2 1 0.46756221 0.62541479 0.99996189 1\n C C3 1 0.96751663 0.51483919 0.22116456 1\n C C4 1 0.46755618 0.06017703 0.72208816 1\n C C5 1 0.96762879 0.67185100 0.49902348 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48637000\n_cell_length_b 5.66453000\n_cell_length_c 9.34670000\n_cell_angle_alpha 117.08475000\n_cell_angle_beta 95.47631000\n_cell_angle_gamma 84.13617000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 116.41235139\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73153008 0.08003400 0.92269320 1\n C C1 1 0.32796894 0.95644451 0.26939510 1\n C C2 1 0.31127476 0.72574685 0.70459682 1\n C C3 1 -0.05721501 0.33129976 0.51395125 1\n C C4 1 0.33617431 0.52688726 0.26613909 1\n C C5 1 0.79212547 0.91249365 0.01732262 1\n C C6 1 0.77354460 0.90906274 0.74478170 1\n C C7 1 0.32930061 0.55233744 0.79846355 1\n C C8 1 0.29696961 0.01237558 0.12814221 1\n C C9 1 0.19881470 0.24955638 -0.00983505 1\n C C10 1 0.86779085 0.62287208 0.90699196 1\n C C11 1 1.09117165 0.52249821 1.02135721 1\n C C12 1 0.27703625 0.27878397 0.15691796 1\n C C13 1 0.84238565 0.86760288 0.47733166 1\n C C14 1 0.85151720 0.03966729 0.37860582 1\n C C15 1 0.36839978 0.68155058 0.43911439 1\n C C16 1 0.21130589 0.26111281 0.66576871 1\n C C17 1 0.28639856 0.67170644 0.17896049 1\n C C18 1 0.39287564 0.50986169 0.53179385 1\n C C19 1 0.75649948 0.08355578 0.64976044 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37463000\n_cell_length_b 2.46102000\n_cell_length_c 6.09418000\n_cell_angle_alpha 78.54843000\n_cell_angle_beta 60.16563000\n_cell_angle_gamma 69.17989000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.02291943\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63667291 0.70189208 0.11874208 1\n C C1 1 0.02038838 0.47168008 0.18955630 1\n C C2 1 0.87288132 0.84871696 0.59111645 1\n C C3 1 0.57372610 0.29471314 0.99270620 1\n C C4 1 0.77938400 0.33165351 0.71768428 1\n C C5 1 0.08236109 0.87952364 0.31591598 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42597000\n_cell_length_b 3.26697000\n_cell_length_c 4.73885000\n_cell_angle_alpha 90.00011000\n_cell_angle_beta 65.36191000\n_cell_angle_gamma 89.93945000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.21095605\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94230462 0.33700169 0.88485397 1\n C C1 1 0.27913608 0.11573925 0.35355016 1\n C C2 1 0.94263227 0.76891698 0.38461861 1\n C C3 1 0.27951086 -0.01276546 0.85370687 1\n C C4 1 0.13724224 0.48731603 0.55051948 1\n C C5 1 0.47402943 0.26880823 0.01971463 1\n C C6 1 0.47419801 0.83678818 0.51959291 1\n C C7 1 0.13746069 0.61597580 0.05055927 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47807000\n_cell_length_b 2.47767000\n_cell_length_c 6.31159000\n_cell_angle_alpha 78.68060000\n_cell_angle_beta 78.67996000\n_cell_angle_gamma 59.98506000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68220209\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62237468 0.08438723 0.04927305 1\n C C1 1 0.70376095 0.16774870 0.80168696 1\n C C2 1 0.48120141 -0.05410536 0.46768574 1\n C C3 1 0.84320092 0.30601777 0.38405323 1\n C C4 1 -0.07193526 0.38917855 0.13302762 1\n C C5 1 0.39750771 0.86271111 0.71849779 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51005000\n_cell_length_b 3.86951000\n_cell_length_c 3.62938000\n_cell_angle_alpha 108.78164000\n_cell_angle_beta 99.29663000\n_cell_angle_gamma 98.52568000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.98660208\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00402161 0.06712456 1.01416550 1\n C C1 1 0.50379621 0.56675388 -0.04628803 1\n C C2 1 0.00294625 0.06645490 0.39457328 1\n C C3 1 0.69678598 0.75989693 0.36033864 1\n C C4 1 0.69616513 0.75963252 0.74118292 1\n C C5 1 0.19629382 0.25953782 0.80113118 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46833000\n_cell_length_b 4.26067000\n_cell_length_c 6.94386000\n_cell_angle_alpha 66.37438000\n_cell_angle_beta 79.76690000\n_cell_angle_gamma 89.99285000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.63678551\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69455438 0.84953691 0.26809019 1\n C C1 1 1.02325500 0.47256938 0.59176121 1\n C C2 1 0.80933012 0.57791549 0.18207780 1\n C C3 1 0.60698026 -0.03625378 0.59257542 1\n C C4 1 0.25766813 0.35412667 0.26106093 1\n C C5 1 0.57602459 0.69250978 0.50630256 1\n C C6 1 0.77633678 0.37397034 0.83251479 1\n C C7 1 1.06850778 0.80199400 0.94165918 1\n C C8 1 0.13231075 0.18762040 0.51341802 1\n C C9 1 0.62399827 0.73896757 0.83278726 1\n C C10 1 0.22071916 0.16749616 0.94140863 1\n C C11 1 0.22510370 0.06941698 0.18247199 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.80829000\n_cell_length_b 3.83624000\n_cell_length_c 7.34656000\n_cell_angle_alpha 92.72484000\n_cell_angle_beta 99.42136000\n_cell_angle_gamma 101.73055000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 103.30699276\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99901645 0.02392389 0.10132149 1\n C C1 1 0.57391238 0.15200275 0.55743279 1\n C C2 1 0.85982413 0.07206899 0.92262786 1\n C C3 1 0.04004623 0.34447541 0.82946630 1\n C C4 1 0.40218622 0.88291525 0.65912456 1\n C C5 1 0.31773568 0.23904369 0.20588888 1\n C C6 1 0.53954721 0.83671993 0.83908205 1\n C C7 1 0.82667933 0.75731144 0.20416063 1\n C C8 1 0.04953581 0.80560609 0.37947642 1\n C C9 1 -0.10699967 0.39210293 0.64206822 1\n C C10 1 0.35985248 0.56443339 0.93189452 1\n C C11 1 0.08341147 0.66834046 0.55477710 1\n C C12 1 0.50736637 0.51726944 0.11991984 1\n C C13 1 0.35259430 0.10259283 0.38102314 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45188000\n_cell_length_b 5.09151000\n_cell_length_c 8.05012000\n_cell_angle_alpha 122.32800000\n_cell_angle_beta 98.77061000\n_cell_angle_gamma 89.97943000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 83.52860179\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05638481 0.14123433 0.00356714 1\n C C1 1 0.54792964 0.66599042 0.21424681 1\n C C2 1 0.75573475 0.12856335 0.63167152 1\n C C3 1 0.30956563 1.15056564 0.74033353 1\n C C4 1 0.66173256 0.79143904 0.44588760 1\n C C5 1 0.38805668 0.11860721 0.89429010 1\n C C6 1 0.72047768 0.34637587 0.56107172 1\n C C7 1 0.97621180 0.92307925 0.07375417 1\n C C8 1 0.14869864 0.60282567 0.42016379 1\n C C9 1 0.49793111 0.84065719 0.11643844 1\n C C10 1 0.19971166 0.42838672 0.51824294 1\n C C11 1 1.03595807 0.47742331 0.18880644 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43272000\n_cell_length_b 4.05285000\n_cell_length_c 4.50663000\n_cell_angle_alpha 95.63754000\n_cell_angle_beta 70.57241000\n_cell_angle_gamma 103.27276000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.53199617\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11027108 0.27401683 0.93801919 1\n C C1 1 0.76106932 -0.01767513 0.77790040 1\n C C2 1 0.07690785 0.74570050 0.22446850 1\n C C3 1 0.39591110 0.29771312 0.46228024 1\n C C4 1 0.75966194 0.43407923 0.22920494 1\n C C5 1 0.26346742 0.46165793 0.75159887 1\n C C6 1 0.39406466 0.75179813 0.91197639 1\n C C7 1 0.07971850 0.98554199 0.46733836 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48152000\n_cell_length_b 5.57454000\n_cell_length_c 3.66603000\n_cell_angle_alpha 70.70911000\n_cell_angle_beta 90.00406000\n_cell_angle_gamma 77.12950000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.51368829\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08962971 0.32371880 0.38037622 1\n C C1 1 0.58964315 0.32358771 0.62004069 1\n C C2 1 0.46571427 0.56732195 0.75806102 1\n C C3 1 0.35735065 0.79103878 0.38486743 1\n C C4 1 0.70244051 0.09961060 0.99326913 1\n C C5 1 0.96571975 0.56734259 0.99727358 1\n C C6 1 0.85724877 0.79141367 1.14599894 1\n C C7 1 0.20267618 0.09900610 0.23278930 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48749000\n_cell_length_b 2.48707000\n_cell_length_c 5.55776000\n_cell_angle_alpha 77.04920000\n_cell_angle_beta 77.04915000\n_cell_angle_gamma 89.95932000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61202233\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50282523 0.50958412 0.06131961 1\n C C1 1 0.16945657 0.17617431 0.72798808 1\n C C2 1 1.08611400 0.59260702 0.89515037 1\n C C3 1 0.75271224 0.25954490 0.56180868 1\n C C4 1 0.83605481 0.84311219 0.39464638 1\n C C5 1 0.41934358 0.92613509 0.22847715 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43267000\n_cell_length_b 3.85977000\n_cell_length_c 9.56960000\n_cell_angle_alpha 84.61251000\n_cell_angle_beta 75.27548000\n_cell_angle_gamma 89.87263000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.49755824\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17292289 0.80807385 0.65310411 1\n C C1 1 0.61835035 0.92107364 0.70786943 1\n C C2 1 0.50555701 0.13987743 0.32012554 1\n C C3 1 0.95066673 0.25275380 0.87512831 1\n C C4 1 0.83912084 0.47330807 0.48691430 1\n C C5 1 0.28450408 0.58592311 0.54177089 1\n C C6 1 0.17284057 0.80797594 0.15313269 1\n C C7 1 0.61837881 -0.07877865 0.20781484 1\n C C8 1 0.28421300 0.58544973 1.04193710 1\n C C9 1 0.95108677 0.25366355 0.37480544 1\n C C10 1 -0.16124492 0.47267092 0.98713809 1\n C C11 1 0.50518868 1.13911890 0.82039075 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48820000\n_cell_length_b 4.30461000\n_cell_length_c 3.51676000\n_cell_angle_alpha 114.10010000\n_cell_angle_beta 90.02308000\n_cell_angle_gamma 106.78387000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61598708\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46155960 0.03988156 0.10473270 1\n C C1 1 0.79489293 0.70654823 0.43806604 1\n C C2 1 0.62810597 0.37343951 0.52185006 1\n C C3 1 0.29477264 0.70677284 0.18851673 1\n C C4 1 0.96143930 1.04010617 0.85518340 1\n C C5 1 1.12822626 0.37321489 0.77139937 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48792000\n_cell_length_b 4.30474000\n_cell_length_c 4.30491000\n_cell_angle_alpha 48.19331000\n_cell_angle_beta 73.20163000\n_cell_angle_gamma 73.21142000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59979576\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94734948 0.73230144 0.27236690 1\n C C1 1 0.78080875 0.64886723 0.68913970 1\n C C2 1 0.11414209 0.31553390 0.35580637 1\n C C3 1 0.44747542 0.98220056 0.02247303 1\n C C4 1 0.28068281 0.39896810 0.93903357 1\n C C5 1 0.61401615 0.06563477 0.60570023 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42808000\n_cell_length_b 3.68560000\n_cell_length_c 6.08442000\n_cell_angle_alpha 56.01313000\n_cell_angle_beta 93.60720000\n_cell_angle_gamma 83.37348000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.30573877\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46575240 0.38488989 0.89993429 1\n C C1 1 0.13218175 0.71818200 0.23328099 1\n C C2 1 0.79921570 1.05158871 0.56660860 1\n C C3 1 0.91099173 0.60704105 0.78908640 1\n C C4 1 0.57731267 -0.05964539 0.12246288 1\n C C5 1 0.24437325 0.27365544 0.45576053 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.82614000\n_cell_length_b 4.15549000\n_cell_length_c 5.07778000\n_cell_angle_alpha 76.62721000\n_cell_angle_beta 79.65206000\n_cell_angle_gamma 63.81691000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.55587565\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03055814 0.00906464 0.68072741 1\n C C1 1 0.46956261 0.97552062 0.65292625 1\n C C2 1 0.96952356 0.20124653 -0.13056658 1\n C C3 1 0.27810334 0.36932135 1.04605334 1\n C C4 1 0.96849636 0.50982101 0.18086998 1\n C C5 1 -0.22205978 0.40384855 0.07297216 1\n C C6 1 0.77839731 -0.09853597 0.57579174 1\n C C7 1 0.46918002 0.47741514 0.15028154 1\n C C8 1 0.27862237 0.87029673 0.54448624 1\n C C9 1 -0.03050286 0.69938728 0.37163771 1\n C C10 1 0.27774172 0.17844002 0.85624550 1\n C C11 1 0.27795388 0.67937390 0.35464962 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.70441000\n_cell_length_b 2.48526000\n_cell_length_c 8.71079000\n_cell_angle_alpha 98.18970000\n_cell_angle_beta 72.51067000\n_cell_angle_gamma 109.68537000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.94190582\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46354852 0.17411243 0.05463660 1\n C C1 1 0.70528065 0.76313959 0.99025727 1\n C C2 1 0.22272932 0.30556443 0.55258165 1\n C C3 1 0.46250050 0.26482532 0.23577328 1\n C C4 1 0.90923913 0.46751340 0.19988016 1\n C C5 1 0.53271841 0.54480030 0.72820095 1\n C C6 1 0.09647774 0.33787725 0.74307582 1\n C C7 1 0.21836090 0.67516056 0.30089636 1\n C C8 1 0.07188922 0.69172852 0.48282327 1\n C C9 1 0.01688231 0.96685726 0.09069081 1\n C C10 1 0.85193768 -0.25573677 0.81042446 1\n C C11 1 0.64213963 0.51979861 0.56354487 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35562000\n_cell_length_b 2.46133000\n_cell_length_c 4.91429000\n_cell_angle_alpha 65.42917000\n_cell_angle_beta 102.47040000\n_cell_angle_gamma 75.53249000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.30208472\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53771791 0.38230558 0.23097503 1\n C C1 1 0.26412139 0.96371868 0.23084798 1\n C C2 1 1.01820232 -0.06101334 0.46475844 1\n C C3 1 0.60314586 0.78639507 0.90849966 1\n C C4 1 0.12385088 0.22767307 0.67548218 1\n C C5 1 0.87637924 1.20521324 -0.09159728 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51628000\n_cell_length_b 4.78312000\n_cell_length_c 5.69079000\n_cell_angle_alpha 86.13285000\n_cell_angle_beta 63.34756000\n_cell_angle_gamma 78.61612000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.99304055\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88452780 0.64458004 0.66484975 1\n C C1 1 0.32016970 0.09840887 0.58414531 1\n C C2 1 0.68001087 0.25031280 0.01148139 1\n C C3 1 -0.04639025 0.34935887 0.76670587 1\n C C4 1 0.87503783 0.93183271 0.03676669 1\n C C5 1 0.23944860 0.82048791 0.74868263 1\n C C6 1 0.99545830 0.11041458 0.41254233 1\n C C7 1 0.14217059 0.61535873 0.36687593 1\n C C8 1 0.24111074 0.87143912 0.20690504 1\n C C9 1 0.21621261 0.35910968 0.25544246 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44862000\n_cell_length_b 5.68459000\n_cell_length_c 5.60301000\n_cell_angle_alpha 56.15355000\n_cell_angle_beta 77.36067000\n_cell_angle_gamma 77.57858000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.78444640\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39621120 0.73117426 0.25752949 1\n C C1 1 0.11363701 0.67914763 0.88486241 1\n C C2 1 0.68375125 0.60646180 0.81812073 1\n C C3 1 -0.04171189 0.79644043 1.07025494 1\n C C4 1 0.82986561 0.40346613 0.71928023 1\n C C5 1 0.83458796 0.11381921 1.00349782 1\n C C6 1 0.27421313 0.04820689 0.19082786 1\n C C7 1 0.12067783 0.16601343 0.37628784 1\n C C8 1 0.39835327 0.44199247 0.54183522 1\n C C9 1 0.54978354 0.23897033 0.44298555 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48363000\n_cell_length_b 6.57576000\n_cell_length_c 6.11805000\n_cell_angle_alpha 75.96604000\n_cell_angle_beta 101.72268000\n_cell_angle_gamma 79.10588000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.88008949\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59247795 0.29977581 0.64377654 1\n C C1 1 0.55677017 0.84969764 0.12283218 1\n C C2 1 0.78642123 0.13975451 0.86993647 1\n C C3 1 0.68607911 0.84924183 0.37734116 1\n C C4 1 0.11069452 0.72297369 0.10234003 1\n C C5 1 0.46351642 0.30030627 0.38938419 1\n C C6 1 0.99980900 0.70189433 0.85993769 1\n C C7 1 0.30640698 0.54765341 0.32193901 1\n C C8 1 1.03933834 0.42645158 0.66436654 1\n C C9 1 0.37310390 0.84205534 0.74562870 1\n C C10 1 0.77754151 0.30689277 1.02135861 1\n C C11 1 0.14862526 0.44783822 0.90657969 1\n C C12 1 1.36490448 0.00993358 0.89682331 1\n C C13 1 0.97217214 0.20619166 0.31288350 1\n C C14 1 0.17731272 0.94331337 0.45369967 1\n C C15 1 0.84168716 0.60210569 0.44474091 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42966000\n_cell_length_b 2.42967000\n_cell_length_c 8.46530000\n_cell_angle_alpha 89.78781000\n_cell_angle_beta 98.68956000\n_cell_angle_gamma 59.98591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.59116558\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12246775 0.52728016 0.37200740 1\n C C1 1 0.63097093 0.29492550 1.03808145 1\n C C2 1 0.29724767 -0.03828052 1.03742205 1\n C C3 1 0.70412000 0.75767442 0.70434830 1\n C C4 1 0.78921879 0.19393252 0.37199259 1\n C C5 1 0.03775725 0.09080341 0.70443812 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47728000\n_cell_length_b 4.14273000\n_cell_length_c 7.07544000\n_cell_angle_alpha 121.14236000\n_cell_angle_beta 100.03068000\n_cell_angle_gamma 90.00243000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.84765401\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29185801 0.67924292 0.22533873 1\n C C1 1 0.09293368 0.18318394 0.82522481 1\n C C2 1 0.21202617 0.25873712 0.06661887 1\n C C3 1 0.71053778 1.03691513 0.06397194 1\n C C4 1 0.58383085 0.69514352 0.80984403 1\n C C5 1 0.53800530 0.94177196 0.71476853 1\n C C6 1 0.79129319 0.89734526 0.22419770 1\n C C7 1 0.93053293 0.12353559 0.49641135 1\n C C8 1 0.42610257 0.90370027 0.48754239 1\n C C9 1 0.05117183 0.46055950 0.74463725 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39742000\n_cell_length_b 4.78259000\n_cell_length_c 5.52271000\n_cell_angle_alpha 101.61824000\n_cell_angle_beta 106.84247000\n_cell_angle_gamma 126.87950000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.88089451\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60479965 0.52214224 0.11302008 1\n C C1 1 0.66732519 0.02347795 -0.03266579 1\n C C2 1 0.22496765 0.73037500 0.24568644 1\n C C3 1 0.31801946 0.67873236 -0.00402653 1\n C C4 1 0.75863288 0.90029778 0.72411483 1\n C C5 1 0.35665354 0.43533111 0.54820857 1\n C C6 1 0.23315282 0.40149236 0.24929161 1\n C C7 1 0.72564604 0.10010313 0.53370726 1\n C C8 1 0.67940384 0.34370441 0.71076417 1\n C C9 1 0.38464463 0.15748237 0.86727945 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63976000\n_cell_length_b 4.82525000\n_cell_length_c 5.01133000\n_cell_angle_alpha 128.57138000\n_cell_angle_beta 139.07685000\n_cell_angle_gamma 67.84057000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.31011785\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41098918 0.01445443 -0.14549873 1\n C C1 1 0.46830029 0.51366757 0.85191306 1\n C C2 1 0.62726804 0.20844170 0.85822561 1\n C C3 1 0.68446007 0.70773728 0.85565760 1\n C C4 1 0.03013565 0.01433377 -0.14588530 1\n C C5 1 0.06530526 0.70768244 0.85592536 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47526000\n_cell_length_b 4.47002000\n_cell_length_c 4.24658000\n_cell_angle_alpha 111.34810000\n_cell_angle_beta 90.02199000\n_cell_angle_gamma 123.60073000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.19480229\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18366647 -0.07988930 0.25922584 1\n C C1 1 0.79444008 0.03115445 0.48047133 1\n C C2 1 0.22864620 0.46573176 0.75850026 1\n C C3 1 0.34067138 0.07681145 0.98104614 1\n C C4 1 0.63752564 0.87418772 0.75864277 1\n C C5 1 0.74858183 0.48520922 0.98126295 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43057000\n_cell_length_b 6.71774000\n_cell_length_c 6.70015000\n_cell_angle_alpha 34.28592000\n_cell_angle_beta 67.81293000\n_cell_angle_gamma 68.24474000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.70256973\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89309304 0.16183671 0.66881260 1\n C C1 1 0.81083691 0.32980991 0.08338817 1\n C C2 1 0.39292507 0.16181389 0.16884814 1\n C C3 1 0.31099312 0.32980227 0.58339329 1\n C C4 1 0.14297475 0.66180149 0.41887206 1\n C C5 1 -0.35698081 0.66182325 0.91882631 1\n C C6 1 0.56086867 0.82977636 0.33344199 1\n C C7 1 1.06095675 0.82980553 0.83338554 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.61011000\n_cell_length_b 3.67744000\n_cell_length_c 4.60880000\n_cell_angle_alpha 66.48838000\n_cell_angle_beta 76.24012000\n_cell_angle_gamma 90.00205000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.17644421\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75446842 0.82296623 0.30781139 1\n C C1 1 -0.24529053 0.19825797 0.30713863 1\n C C2 1 0.57212047 0.53649794 0.62988814 1\n C C3 1 0.45591027 0.73429555 0.86162605 1\n C C4 1 0.87036528 0.62808443 0.07429006 1\n C C5 1 0.57224379 0.16214287 0.62942503 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.89371000\n_cell_length_b 4.02606000\n_cell_length_c 4.82661000\n_cell_angle_alpha 96.88384000\n_cell_angle_beta 72.35498000\n_cell_angle_gamma 60.68598000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.22199425\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40656378 0.65546151 0.68484886 1\n C C1 1 1.06551645 0.00268961 0.37411859 1\n C C2 1 -0.15176061 0.21702206 0.18409420 1\n C C3 1 0.78791538 0.27413341 0.68427637 1\n C C4 1 1.00495736 0.05961933 0.87438162 1\n C C5 1 0.44694083 0.62117659 0.37362546 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43182000\n_cell_length_b 3.95180000\n_cell_length_c 6.76288000\n_cell_angle_alpha 106.69764000\n_cell_angle_beta 68.90678000\n_cell_angle_gamma 90.22154000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.71883824\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32784037 -0.12346594 -0.09756854 1\n C C1 1 0.82814766 0.37631348 0.40232282 1\n C C2 1 0.07819580 0.12623858 0.65229559 1\n C C3 1 0.90924042 -0.03723871 0.82034473 1\n C C4 1 0.65955606 0.21254279 0.57024376 1\n C C5 1 0.40935804 0.46277532 0.32035484 1\n C C6 1 0.15898268 0.71300240 1.07050023 1\n C C7 1 0.57776166 0.62661708 0.15249058 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49598000\n_cell_length_b 4.35607000\n_cell_length_c 4.35662000\n_cell_angle_alpha 120.02489000\n_cell_angle_beta 90.00942000\n_cell_angle_gamma 90.00033000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.01165321\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15228300 0.22069714 0.49740656 1\n C C1 1 0.65222481 0.66894836 0.39411519 1\n C C2 1 0.65226507 1.01405199 0.39419966 1\n C C3 1 0.65226767 0.66894733 0.04918249 1\n C C4 1 0.15222875 0.56566809 0.49744253 1\n C C5 1 0.15219460 0.56577519 0.84250727 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43210000\n_cell_length_b 4.01744000\n_cell_length_c 4.63194000\n_cell_angle_alpha 84.34886000\n_cell_angle_beta 106.29670000\n_cell_angle_gamma 89.03641000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18148605\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85785513 0.52262481 0.00990300 1\n C C1 1 0.74378526 0.30311496 0.78545992 1\n C C2 1 0.19079966 0.18868690 0.67672504 1\n C C3 1 0.52353474 0.85763879 0.34199422 1\n C C4 1 0.07698945 -0.02916790 0.45145291 1\n C C5 1 0.41143375 0.63541414 0.11962140 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51489000\n_cell_length_b 3.89610000\n_cell_length_c 5.98907000\n_cell_angle_alpha 76.53803000\n_cell_angle_beta 72.32897000\n_cell_angle_gamma 98.51339000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.85227992\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36992247 0.63802637 0.58568405 1\n C C1 1 1.13041140 0.39694968 0.07055328 1\n C C2 1 0.20329055 0.47176564 0.43739460 1\n C C3 1 0.89033813 0.15670654 0.58524028 1\n C C4 1 -0.18458383 0.08240480 0.21884225 1\n C C5 1 0.33112732 0.59929202 0.18255587 1\n C C6 1 0.15798820 0.42580116 0.82727222 1\n C C7 1 0.64877035 0.91627144 0.07045906 1\n C C8 1 0.86226703 0.12743694 0.82835901 1\n C C9 1 0.68837809 -0.04514599 0.47369427 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48794000\n_cell_length_b 4.30447000\n_cell_length_c 6.58014000\n_cell_angle_alpha 70.87839000\n_cell_angle_beta 79.08824000\n_cell_angle_gamma 90.00449000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.23003834\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37068835 0.80988447 0.02924943 1\n C C1 1 0.16158864 0.26793966 0.44622952 1\n C C2 1 0.32852985 1.10135872 0.11269197 1\n C C3 1 0.03671000 0.14307088 0.69616722 1\n C C4 1 0.49472054 -0.06519110 0.77927833 1\n C C5 1 1.20392007 0.97638047 0.36267910 1\n C C6 1 0.53700398 0.64294845 0.69627810 1\n C C7 1 0.66168884 0.76780987 0.44633791 1\n C C8 1 -0.17137835 0.60147774 0.11257376 1\n C C9 1 -0.12933601 0.30976219 1.02939484 1\n C C10 1 0.70389621 0.47650178 0.36256857 1\n C C11 1 -0.00494882 0.43467957 0.77941914 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.67657000\n_cell_length_b 5.22537000\n_cell_length_c 3.69734000\n_cell_angle_alpha 62.36018000\n_cell_angle_beta 108.56299000\n_cell_angle_gamma 117.67967000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.24304026\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76945156 0.16568744 0.85521297 1\n C C1 1 0.48894268 0.16601313 0.07975560 1\n C C2 1 0.45643741 0.53778817 0.17040225 1\n C C3 1 0.16157338 0.85215563 0.20533097 1\n C C4 1 0.78341074 0.85205605 0.04212136 1\n C C5 1 0.17595609 0.53826684 0.39489898 1\n C C6 1 0.23688850 0.38009106 0.86093818 1\n C C7 1 0.70844863 0.32375408 0.38923299 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45575000\n_cell_length_b 5.84278000\n_cell_length_c 3.40195000\n_cell_angle_alpha 106.01796000\n_cell_angle_beta 110.98756000\n_cell_angle_gamma 102.24142000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.09274031\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59863305 0.00246969 -0.12469109 1\n C C1 1 0.84639718 0.27863745 0.09551552 1\n C C2 1 0.46654711 0.40473109 0.21218342 1\n C C3 1 0.24033054 0.80993684 0.35439941 1\n C C4 1 0.71448222 0.68112853 0.43278445 1\n C C5 1 0.07120681 0.87282360 0.95278428 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43186000\n_cell_length_b 3.17650000\n_cell_length_c 9.12312000\n_cell_angle_alpha 104.62167000\n_cell_angle_beta 106.79547000\n_cell_angle_gamma 110.58489000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.02348401\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05753082 0.67094397 0.55982575 1\n C C1 1 0.05675896 0.16983463 0.30996983 1\n C C2 1 0.05763154 0.67296999 1.05943444 1\n C C3 1 0.39064205 0.00502201 0.72599305 1\n C C4 1 0.05833869 0.17399793 0.80933124 1\n C C5 1 0.38960093 1.00221310 0.22661608 1\n C C6 1 0.38978626 0.50196704 0.47656531 1\n C C7 1 0.39042806 0.50547213 0.97598231 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48019000\n_cell_length_b 6.25978000\n_cell_length_c 7.31658000\n_cell_angle_alpha 72.82109000\n_cell_angle_beta 99.75627000\n_cell_angle_gamma 78.56669000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.17060728\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17504010 0.89559988 0.00531141 1\n C C1 1 0.64219625 0.23139033 0.28006359 1\n C C2 1 0.19941544 0.35231455 0.51056021 1\n C C3 1 0.71785560 0.64900399 0.85158040 1\n C C4 1 0.22639329 0.45390850 0.67324564 1\n C C5 1 0.64684958 0.60088837 0.66169841 1\n C C6 1 0.98463702 0.55017102 0.28415240 1\n C C7 1 0.41949651 0.30240750 0.90570809 1\n C C8 1 0.14040827 0.79484725 0.84177081 1\n C C9 1 0.60855597 1.03793962 0.01412025 1\n C C10 1 0.76529901 0.21147862 0.50057888 1\n C C11 1 0.90474928 0.40216672 -0.02235501 1\n C C12 1 0.46318039 0.84804356 0.53676519 1\n C C13 1 0.33621384 0.88604470 0.32142100 1\n C C14 1 0.72638491 0.01820593 0.23444408 1\n C C15 1 -0.04985234 0.94763800 0.60843099 1\n C C16 1 0.38433290 0.69870236 0.23199463 1\n C C17 1 1.03312387 0.36362800 0.19316312 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43224000\n_cell_length_b 4.30970000\n_cell_length_c 4.99384000\n_cell_angle_alpha 102.52091000\n_cell_angle_beta 100.89958000\n_cell_angle_gamma 120.80772000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.83240454\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61482112 0.57079191 0.81234126 1\n C C1 1 0.84864246 0.02938980 0.36760901 1\n C C2 1 0.52075530 0.37033605 0.22768056 1\n C C3 1 0.34660952 0.41831794 0.48065256 1\n C C4 1 0.71331138 0.98099646 0.84796600 1\n C C5 1 0.21083557 0.36999104 0.96054822 1\n C C6 1 1.07255273 0.65947657 0.02080571 1\n C C7 1 -0.01273348 0.74003080 0.30789748 1\n C C8 1 0.44510648 0.82860576 0.51632922 1\n C C9 1 0.53901953 1.02924457 0.10095117 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.13021000\n_cell_length_b 4.79105000\n_cell_length_c 6.39974000\n_cell_angle_alpha 80.65683000\n_cell_angle_beta 96.59574000\n_cell_angle_gamma 109.68485000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.98183744\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05605062 1.00862140 0.11400872 1\n C C1 1 0.14664931 0.39942490 0.31786099 1\n C C2 1 0.95833630 0.49769156 0.12926297 1\n C C3 1 0.14595780 0.09350249 0.31754016 1\n C C4 1 0.63510854 0.66074643 0.81942743 1\n C C5 1 0.63219295 0.35385657 0.82125630 1\n C C6 1 0.31999283 0.49236659 0.51008247 1\n C C7 1 0.44459449 0.25526839 0.63158273 1\n C C8 1 0.34610265 0.00781548 0.52043426 1\n C C9 1 0.83163188 0.26087216 0.00811061 1\n C C10 1 0.84340776 0.74897035 0.02064904 1\n C C11 1 0.43139160 0.74444907 0.61620313 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43134000\n_cell_length_b 3.26827000\n_cell_length_c 9.47453000\n_cell_angle_alpha 79.52508000\n_cell_angle_beta 98.50213000\n_cell_angle_gamma 86.70676000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.94318714\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62007329 0.46607604 0.06098727 1\n C C1 1 1.15320434 0.52889265 0.12852475 1\n C C2 1 1.02508029 0.25497573 0.86310746 1\n C C3 1 0.75642620 0.71842947 0.33015982 1\n C C4 1 0.22134781 0.65730268 0.26241978 1\n C C5 1 -0.17329553 0.84336291 0.46500325 1\n C C6 1 0.43004694 0.03687406 0.66617005 1\n C C7 1 0.36167048 0.90540020 0.53257246 1\n C C8 1 0.96252857 1.10475385 0.73288112 1\n C C9 1 0.55571691 0.32865550 0.92850376 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47712000\n_cell_length_b 4.14616000\n_cell_length_c 6.07140000\n_cell_angle_alpha 85.58863000\n_cell_angle_beta 78.22630000\n_cell_angle_gamma 90.01289000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.85568178\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91259140 0.12680071 0.87398315 1\n C C1 1 0.15685148 0.35862296 0.38351247 1\n C C2 1 0.33330760 0.60884962 0.03312741 1\n C C3 1 0.04381581 0.16949031 0.61122320 1\n C C4 1 0.54856229 -0.04089660 0.60115162 1\n C C5 1 0.20699269 0.69896716 0.28691140 1\n C C6 1 0.71195786 0.22637380 0.27328791 1\n C C7 1 0.41257628 0.90872850 0.87363733 1\n C C8 1 0.83378985 0.38891726 0.03185335 1\n C C9 1 0.67461305 0.86973239 0.35193895 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48760000\n_cell_length_b 4.96281000\n_cell_length_c 7.83478000\n_cell_angle_alpha 93.87723000\n_cell_angle_beta 88.24330000\n_cell_angle_gamma 88.45349000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 96.41646732\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70747804 0.05877847 0.25525487 1\n C C1 1 0.26139898 0.76413963 0.46530434 1\n C C2 1 0.22415274 0.01952528 0.36636875 1\n C C3 1 0.37774795 0.51294675 0.39310916 1\n C C4 1 0.21428223 0.98722063 0.79149157 1\n C C5 1 0.70177502 0.57267892 0.69909354 1\n C C6 1 0.73163880 0.29809709 0.59846824 1\n C C7 1 0.24278233 0.27134044 0.49121872 1\n C C8 1 0.15462437 0.45713052 0.96704954 1\n C C9 1 0.12403894 0.43784673 0.13496922 1\n C C10 1 0.67155673 0.43298299 0.86799112 1\n C C11 1 0.71288500 0.95537160 0.07199146 1\n C C12 1 0.20329415 0.73585507 0.66359867 1\n C C13 1 0.22348407 0.94646392 0.98481008 1\n C C14 1 0.71124935 0.15047699 0.76195369 1\n C C15 1 0.61141679 0.39045266 0.22697413 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.65308000\n_cell_length_b 4.71468000\n_cell_length_c 5.58520000\n_cell_angle_alpha 89.26627000\n_cell_angle_beta 49.13335000\n_cell_angle_gamma 88.86540000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.73131199\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85221945 0.78139066 0.66117642 1\n C C1 1 0.16865931 0.78143677 0.34609815 1\n C C2 1 0.21948555 0.17358294 0.83991483 1\n C C3 1 0.44291451 0.89745985 0.68699326 1\n C C4 1 0.61288640 0.40792886 0.33975221 1\n C C5 1 0.02480439 0.68308531 0.82396535 1\n C C6 1 0.89581495 0.17368692 0.16538879 1\n C C7 1 0.81323589 0.89746551 0.31864811 1\n C C8 1 0.66779872 0.68318618 0.18233205 1\n C C9 1 0.28603723 0.40811179 0.66625122 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44905000\n_cell_length_b 5.35978000\n_cell_length_c 8.30157000\n_cell_angle_alpha 127.03646000\n_cell_angle_beta 107.16736000\n_cell_angle_gamma 89.96024000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.83827186\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10332493 0.64707783 0.83127511 1\n C C1 1 0.42844668 0.66370728 0.36140390 1\n C C2 1 0.83815729 0.11471806 0.77030632 1\n C C3 1 0.74041312 0.27436094 0.67409853 1\n C C4 1 1.12097766 0.75489321 1.05401957 1\n C C5 1 -0.29122175 0.76626903 0.14187238 1\n C C6 1 -0.08852134 0.80335461 0.34466066 1\n C C7 1 0.36767051 0.02231402 0.79971550 1\n C C8 1 0.47950254 0.47062217 0.41608207 1\n C C9 1 0.33393788 0.72813505 0.76827592 1\n C C10 1 1.05926270 0.42703360 0.49578828 1\n C C11 1 0.10119303 0.17963401 0.53413787 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44254000\n_cell_length_b 5.94360000\n_cell_length_c 6.45148000\n_cell_angle_alpha 74.13015000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 101.91191000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.99081236\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60597737 0.32624388 0.32272541 1\n C C1 1 1.02835196 0.17384757 1.05711744 1\n C C2 1 0.26313662 0.64055523 1.03927081 1\n C C3 1 0.60338193 0.32239491 0.71356083 1\n C C4 1 0.36335182 0.83791475 0.56377884 1\n C C5 1 -0.15326382 0.80447639 0.69718155 1\n C C6 1 0.32663149 0.77173898 0.20540020 1\n C C7 1 0.47024089 0.06135728 0.38337454 1\n C C8 1 0.79380218 0.70222892 0.90712161 1\n C C9 1 0.45517769 1.02913869 0.16236685 1\n C C10 1 0.26392074 0.63855938 0.43709741 1\n C C11 1 1.13165886 0.37980991 0.17219889 1\n C C12 1 0.68125051 0.47417836 0.48592096 1\n C C13 1 0.07242877 0.26364795 0.82000726 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48412000\n_cell_length_b 3.82470000\n_cell_length_c 5.78396000\n_cell_angle_alpha 73.79011000\n_cell_angle_beta 64.54975000\n_cell_angle_gamma 71.03235000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.29620677\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53021949 0.02732812 1.01490763 1\n C C1 1 0.14716825 0.12226958 0.84992065 1\n C C2 1 1.05538869 0.52957427 0.23801877 1\n C C3 1 0.48378768 0.77294185 0.68698483 1\n C C4 1 0.98902507 0.55033998 0.79306510 1\n C C5 1 0.71765940 0.87924488 0.40051412 1\n C C6 1 0.21318389 0.10170372 0.29420277 1\n C C7 1 0.67399732 0.62409480 1.07280512 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46706000\n_cell_length_b 3.21751000\n_cell_length_c 8.15180000\n_cell_angle_alpha 75.20788000\n_cell_angle_beta 62.96281000\n_cell_angle_gamma 67.38593000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.94852942\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41557460 0.84329231 0.06429622 1\n C C1 1 1.12491860 -0.12697138 0.24814724 1\n C C2 1 1.03296108 0.78438609 0.67377743 1\n C C3 1 0.07068522 0.18680426 0.51395326 1\n C C4 1 0.37283448 0.77898542 0.78223146 1\n C C5 1 0.42930290 0.46269078 0.51622217 1\n C C6 1 0.07540702 0.82177716 0.96501800 1\n C C7 1 0.46673251 0.86374606 0.35679742 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.81075000\n_cell_length_b 4.08623000\n_cell_length_c 4.82098000\n_cell_angle_alpha 112.72080000\n_cell_angle_beta 94.23727000\n_cell_angle_gamma 60.36577000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.91737010\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19337543 0.39344767 0.55789528 1\n C C1 1 0.57473604 0.01265533 0.55818788 1\n C C2 1 -0.07491038 0.66803819 0.86665095 1\n C C3 1 0.54433434 0.04904530 0.86648978 1\n C C4 1 0.13795039 0.45428718 1.05801453 1\n C C5 1 0.98120037 0.60751372 0.36665868 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37714000\n_cell_length_b 4.01785000\n_cell_length_c 3.63377000\n_cell_angle_alpha 68.82431000\n_cell_angle_beta 83.58337000\n_cell_angle_gamma 98.96964000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.65199629\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58993618 0.49529090 0.82926851 1\n C C1 1 0.28406301 0.18813840 0.48316525 1\n C C2 1 0.28393143 0.18846991 0.86460736 1\n C C3 1 0.09168020 -0.00493468 0.27085908 1\n C C4 1 0.78230601 0.68874989 0.42308230 1\n C C5 1 0.59005886 0.49600528 0.21026530 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47426000\n_cell_length_b 4.11838000\n_cell_length_c 4.28303000\n_cell_angle_alpha 89.98608000\n_cell_angle_beta 90.01106000\n_cell_angle_gamma 89.99683000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.64382897\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20346993 0.76841705 0.93490083 1\n C C1 1 0.70343981 0.26842261 0.10159143 1\n C C2 1 0.70368449 0.76834672 0.43490406 1\n C C3 1 0.20394372 0.26834692 0.60159262 1\n C C4 1 0.70388399 0.39342846 0.43488398 1\n C C5 1 0.70352561 0.89351053 0.10156949 1\n C C6 1 0.20375773 0.89343767 0.60156926 1\n C C7 1 0.20340543 0.39349953 -0.06512238 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42707000\n_cell_length_b 5.69434000\n_cell_length_c 6.15410000\n_cell_angle_alpha 62.66336000\n_cell_angle_beta 101.27391000\n_cell_angle_gamma 89.80270000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.67136212\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11724470 0.29676378 0.95265235 1\n C C1 1 1.23597258 0.04769139 0.19386229 1\n C C2 1 0.86247084 0.63590206 0.43669375 1\n C C3 1 0.73763801 0.88456066 0.19488006 1\n C C4 1 -0.38251001 0.87354152 -0.04574474 1\n C C5 1 0.92470003 0.01721214 0.56283205 1\n C C6 1 1.05384767 0.91216810 0.82759128 1\n C C7 1 0.36155632 0.05606500 0.43627531 1\n C C8 1 0.42525905 0.54645050 0.56235019 1\n C C9 1 0.55395722 0.38523784 0.82647056 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50110000\n_cell_length_b 5.06006000\n_cell_length_c 7.94229000\n_cell_angle_alpha 97.40695000\n_cell_angle_beta 89.96579000\n_cell_angle_gamma 90.03568000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 99.67658704\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99836148 0.06945105 0.54563867 1\n C C1 1 0.49805031 0.78280375 0.74572630 1\n C C2 1 0.49802452 0.33995236 0.86574798 1\n C C3 1 -0.00004609 0.49366842 0.43616765 1\n C C4 1 0.99935309 0.38647268 0.59321331 1\n C C5 1 -0.00351703 0.59513588 0.12941506 1\n C C6 1 0.49829486 1.01151299 0.44744068 1\n C C7 1 -0.00232217 -0.06733074 0.18373708 1\n C C8 1 0.49737453 0.81570171 0.93728016 1\n C C9 1 -0.00467127 0.49130446 0.28427252 1\n C C10 1 -0.00243550 0.97132433 -0.00303280 1\n C C11 1 0.49776238 -0.01236370 0.27853421 1\n C C12 1 -0.00209777 0.17066593 0.86844259 1\n C C13 1 0.99807689 -0.05607364 0.71042006 1\n C C14 1 0.49696279 0.56268452 1.01759111 1\n C C15 1 0.49895158 0.47516331 0.69669462 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42397000\n_cell_length_b 4.16738000\n_cell_length_c 5.84731000\n_cell_angle_alpha 72.69208000\n_cell_angle_beta 101.08093000\n_cell_angle_gamma 89.44549000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.20020334\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48733018 0.58617086 0.53252375 1\n C C1 1 0.64239289 0.98293837 0.83454103 1\n C C2 1 -0.04569965 0.12551284 0.45223244 1\n C C3 1 0.27955535 0.50955530 0.10156562 1\n C C4 1 0.97074525 0.75561193 0.49819758 1\n C C5 1 0.82578615 0.35825349 0.19532407 1\n C C6 1 0.51332799 0.21683430 0.57801416 1\n C C7 1 0.18972204 0.83040672 0.92682666 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47002000\n_cell_length_b 4.09093000\n_cell_length_c 6.12893000\n_cell_angle_alpha 92.55398000\n_cell_angle_beta 78.34725000\n_cell_angle_gamma 90.00749000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.59171763\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07808379 0.40902517 0.34505579 1\n C C1 1 0.28842611 0.26236896 0.91821184 1\n C C2 1 0.41983913 0.25361874 0.66173628 1\n C C3 1 0.75577923 0.77217647 -0.01577940 1\n C C4 1 0.61200617 0.22320083 0.27736675 1\n C C5 1 0.01769400 0.74536597 0.47131522 1\n C C6 1 0.73471552 0.12425568 0.02401378 1\n C C7 1 0.95630456 0.42530603 0.58979045 1\n C C8 1 0.51716462 -0.04826452 0.47215378 1\n C C9 1 0.26359686 0.61758768 -0.03077369 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48753000\n_cell_length_b 4.30351000\n_cell_length_c 4.30397000\n_cell_angle_alpha 99.60024000\n_cell_angle_beta 90.00947000\n_cell_angle_gamma 73.20059000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.43405754\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73103615 0.37726147 0.86902819 1\n C C1 1 0.48125209 -0.12274094 0.61900969 1\n C C2 1 0.91932971 0.00225102 0.80668503 1\n C C3 1 -0.01874791 0.87725906 0.11900969 1\n C C4 1 0.41932971 0.00225102 0.30668503 1\n C C5 1 0.16911377 0.50225343 1.05670353 1\n C C6 1 0.66911377 0.50225343 0.55670353 1\n C C7 1 0.23103615 0.37726147 0.36902819 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45712000\n_cell_length_b 4.44423000\n_cell_length_c 6.57716000\n_cell_angle_alpha 111.67746000\n_cell_angle_beta 90.12073000\n_cell_angle_gamma 105.86864000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 63.77113225\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07497440 0.11280909 0.09137851 1\n C C1 1 0.23872136 0.43836039 0.29936573 1\n C C2 1 -0.06207878 0.83495088 0.17778233 1\n C C3 1 0.38076980 0.72080805 0.21748626 1\n C C4 1 -0.23604061 0.48616063 0.43034846 1\n C C5 1 0.54930776 0.06203594 0.96023851 1\n C C6 1 0.44027823 0.83732845 0.75118828 1\n C C7 1 -0.12553835 0.70574628 0.64132163 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48684000\n_cell_length_b 7.01548000\n_cell_length_c 8.12162000\n_cell_angle_alpha 52.82282000\n_cell_angle_beta 67.87143000\n_cell_angle_gamma 79.87073000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 104.32340236\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10982981 0.15391946 0.38621074 1\n C C1 1 0.34111565 0.71066896 0.55257277 1\n C C2 1 0.69697005 0.73373090 0.14261367 1\n C C3 1 1.00494703 0.34198778 0.92578705 1\n C C4 1 0.62826712 0.94717488 0.65197423 1\n C C5 1 0.13717926 0.79392648 0.70078219 1\n C C6 1 0.11515787 1.04652842 0.26263026 1\n C C7 1 0.38736498 0.31114206 0.32906019 1\n C C8 1 0.74242463 0.99837221 0.93758716 1\n C C9 1 0.38881712 0.05664374 0.78984022 1\n C C10 1 0.46623576 0.32378709 0.60768590 1\n C C11 1 0.46993996 0.17335536 0.02739393 1\n C C12 1 0.94202081 0.55873867 0.92738469 1\n C C13 1 1.27411080 0.45643962 0.69685925 1\n C C14 1 0.70516788 0.54053446 0.11110569 1\n C C15 1 0.96280546 0.79468042 0.40268506 1\n C C16 1 0.09738119 0.67419961 0.29163332 1\n C C17 1 0.09596594 0.40204109 0.46416169 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50439000\n_cell_length_b 3.40213000\n_cell_length_c 12.06129000\n_cell_angle_alpha 99.40555000\n_cell_angle_beta 80.83987000\n_cell_angle_gamma 70.80619000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 93.21434689\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07019367 0.15523690 0.18153708 1\n C C1 1 1.01220200 0.70833588 -0.08341684 1\n C C2 1 0.53919461 0.45667343 0.37785701 1\n C C3 1 0.19321060 0.71084257 0.67779126 1\n C C4 1 0.49133186 0.26495567 0.57991325 1\n C C5 1 0.11894345 0.98338597 0.58104507 1\n C C6 1 0.46701225 0.42430474 0.18062642 1\n C C7 1 -0.06029686 0.68078362 1.02724336 1\n C C8 1 0.37199147 0.71409277 0.09590050 1\n C C9 1 0.54958048 -0.27491970 -0.14323422 1\n C C10 1 -0.05428062 1.08632337 0.30100677 1\n C C11 1 0.40058776 0.55300231 0.49546182 1\n C C12 1 0.31406575 0.69725647 0.30102392 1\n C C13 1 0.62763778 -0.25691590 0.74487039 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44802000\n_cell_length_b 5.57923000\n_cell_length_c 5.84719000\n_cell_angle_alpha 59.82290000\n_cell_angle_beta 65.27629000\n_cell_angle_gamma 77.32412000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.70549741\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23394391 0.06432922 0.71958517 1\n C C1 1 0.27075843 -0.12063896 0.27818757 1\n C C2 1 0.71134355 0.32019606 0.11405992 1\n C C3 1 -0.23349841 0.62132740 0.91049542 1\n C C4 1 0.31937959 0.18059626 1.07581437 1\n C C5 1 0.76580126 0.74001647 0.35187269 1\n C C6 1 0.60719861 0.18648094 0.78569222 1\n C C7 1 0.42499083 0.31489149 0.40344390 1\n C C8 1 0.27169063 0.76101328 0.83637176 1\n C C9 1 0.79748981 0.43655833 0.46994548 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45891000\n_cell_length_b 6.17771000\n_cell_length_c 8.36792000\n_cell_angle_alpha 70.29880000\n_cell_angle_beta 99.22960000\n_cell_angle_gamma 87.05160000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 117.35848779\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90163724 0.11545696 0.54350191 1\n C C1 1 0.39805632 0.35248125 0.68682133 1\n C C2 1 0.37594701 0.26479997 0.53092084 1\n C C3 1 0.54234451 0.64318837 0.89077877 1\n C C4 1 -0.29938402 0.77803277 0.16152819 1\n C C5 1 0.73851658 0.52326454 0.23528816 1\n C C6 1 1.05992525 0.80452340 0.44256682 1\n C C7 1 0.08779220 0.13197243 0.98131016 1\n C C8 1 0.29743940 0.40339357 0.33124751 1\n C C9 1 0.85760028 0.50183512 0.66894170 1\n C C10 1 0.64600545 0.45084535 0.06387783 1\n C C11 1 0.62605002 0.69605272 0.50294181 1\n C C12 1 -0.10864733 1.05707406 0.37242022 1\n C C13 1 0.51915274 0.14338560 0.86852522 1\n C C14 1 0.96409780 0.92168194 0.71429570 1\n C C15 1 0.16370794 0.88846497 0.10861180 1\n C C16 1 0.17190000 0.29744762 0.08775665 1\n C C17 1 0.51635179 -0.07407502 0.81790657 1\n C C18 1 0.97780349 0.64818184 0.78421448 1\n C C19 1 0.31562413 0.18097075 0.28283873 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.75309000\n_cell_length_b 4.29125000\n_cell_length_c 5.57164000\n_cell_angle_alpha 127.50319000\n_cell_angle_beta 82.46461000\n_cell_angle_gamma 121.45750000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.37135539\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94410311 1.05978787 0.41102564 1\n C C1 1 0.10718538 0.76066562 0.26347331 1\n C C2 1 0.38459374 0.30030134 0.02877672 1\n C C3 1 0.64739740 0.83711700 0.80047394 1\n C C4 1 0.74551622 0.29932524 0.03230054 1\n C C5 1 1.02297678 0.83922443 0.79777842 1\n C C6 1 0.48250744 0.76236357 0.26074004 1\n C C7 1 0.18641122 0.54044344 0.65025360 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.97325000\n_cell_length_b 4.20775000\n_cell_length_c 4.20899000\n_cell_angle_alpha 59.97496000\n_cell_angle_beta 65.80253000\n_cell_angle_gamma 77.75512000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.58377060\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86339503 0.57687480 -0.15161401 1\n C C1 1 -0.14494879 0.24351123 0.18460119 1\n C C2 1 0.86314739 0.24352936 0.51512948 1\n C C3 1 0.85494794 0.57685434 0.51795658 1\n C C4 1 -0.13669156 0.91020073 0.18174217 1\n C C5 1 0.85502918 0.91017014 -0.14872381 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.19962000\n_cell_length_b 3.65798000\n_cell_length_c 4.35121000\n_cell_angle_alpha 113.73318000\n_cell_angle_beta 99.74818000\n_cell_angle_gamma 93.37675000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.70638700\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78317279 0.75961009 0.83080385 1\n C C1 1 1.01798373 -0.01232467 0.11952724 1\n C C2 1 0.78122117 0.76394931 0.50633802 1\n C C3 1 0.53423376 0.52325468 0.88508360 1\n C C4 1 0.30642740 0.28676988 0.59420674 1\n C C5 1 0.30700652 0.28550040 0.26692961 1\n C C6 1 1.01762838 -0.01124714 0.44694737 1\n C C7 1 0.53684793 0.51821506 0.20908627 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36730000\n_cell_length_b 3.26217000\n_cell_length_c 7.08307000\n_cell_angle_alpha 97.74459000\n_cell_angle_beta 112.35091000\n_cell_angle_gamma 86.02370000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.28980168\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12442044 0.93109456 0.97869209 1\n C C1 1 0.10493602 1.09063508 0.65830134 1\n C C2 1 0.47372475 0.22983609 0.33187501 1\n C C3 1 0.26940039 0.54339866 0.44381484 1\n C C4 1 0.49189793 0.58301310 0.99785653 1\n C C5 1 -0.06005302 0.20479130 0.43374411 1\n C C6 1 1.14382203 0.89196443 0.32049127 1\n C C7 1 0.47051735 0.38444284 0.78693880 1\n C C8 1 -0.04716661 0.69614818 0.10167574 1\n C C9 1 0.81322942 0.02933252 0.76759594 1\n C C10 1 0.28856793 0.33134381 1.10747996 1\n C C11 1 0.44040236 0.72505234 0.66249375 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.85261000\n_cell_length_b 3.63433000\n_cell_length_c 4.81292000\n_cell_angle_alpha 112.09796000\n_cell_angle_beta 94.90223000\n_cell_angle_gamma 106.16447000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.37817956\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32609060 0.65883567 0.24222043 1\n C C1 1 0.33725297 0.31656743 0.55242054 1\n C C2 1 0.33712172 0.69673950 0.55179437 1\n C C3 1 0.32523470 1.03861012 0.24143517 1\n C C4 1 0.33322715 0.10193957 0.74255061 1\n C C5 1 0.32956766 0.25358481 0.05143567 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43021000\n_cell_length_b 3.33081000\n_cell_length_c 6.45424000\n_cell_angle_alpha 121.38148000\n_cell_angle_beta 97.56407000\n_cell_angle_gamma 93.27409000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.72372392\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12411772 -0.03339948 0.66223711 1\n C C1 1 0.23505942 0.41148024 0.88420636 1\n C C2 1 0.79065256 0.63271622 0.99537494 1\n C C3 1 -0.09840574 1.07759594 0.21734419 1\n C C4 1 0.45738141 0.29941275 0.32885488 1\n C C5 1 0.56833058 0.74478371 0.55072642 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43048000\n_cell_length_b 5.78216000\n_cell_length_c 6.65391000\n_cell_angle_alpha 114.09582000\n_cell_angle_beta 111.80836000\n_cell_angle_gamma 101.54159000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.10490881\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41173049 0.79263250 0.77100160 1\n C C1 1 0.41124053 0.39323867 0.97149536 1\n C C2 1 0.41205097 0.19380221 0.57136705 1\n C C3 1 0.41224760 0.99327963 0.17104828 1\n C C4 1 0.07817263 0.66094766 0.50487854 1\n C C5 1 1.07948594 0.06189222 0.30469476 1\n C C6 1 0.41116364 0.59259768 0.37122150 1\n C C7 1 0.07813793 0.46140471 0.10504348 1\n C C8 1 0.07905359 0.26206720 0.70497104 1\n C C9 1 0.07846970 0.86054703 0.90455229 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49093000\n_cell_length_b 3.59357000\n_cell_length_c 4.35320000\n_cell_angle_alpha 84.29921000\n_cell_angle_beta 73.38977000\n_cell_angle_gamma 69.67003000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01484108\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11804949 0.13001150 0.51909214 1\n C C1 1 0.22278187 0.49983060 0.93737367 1\n C C2 1 1.03551929 0.50002456 0.31329103 1\n C C3 1 0.40501744 0.75910076 0.31342572 1\n C C4 1 0.51226852 0.12988663 0.73131030 1\n C C5 1 0.59380460 0.75870046 0.93708313 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.83438000\n_cell_length_b 4.06146000\n_cell_length_c 4.41874000\n_cell_angle_alpha 91.45485000\n_cell_angle_beta 68.51277000\n_cell_angle_gamma 81.41711000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.07402088\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02441560 0.66901661 0.16888787 1\n C C1 1 0.24239817 0.21827810 0.69275591 1\n C C2 1 0.77345082 0.82290487 0.92274619 1\n C C3 1 0.63402451 0.57191308 0.76689755 1\n C C4 1 0.50616615 0.27427732 0.39784987 1\n C C5 1 0.04458285 -0.03086610 0.65315168 1\n C C6 1 0.31662495 0.38793343 -0.04842480 1\n C C7 1 0.70382721 0.52337357 0.43797287 1\n C C8 1 0.43285895 0.10239897 0.13945379 1\n C C9 1 0.11510889 0.91977135 0.32438167 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48586000\n_cell_length_b 4.48504000\n_cell_length_c 7.20968000\n_cell_angle_alpha 92.50996000\n_cell_angle_beta 110.15461000\n_cell_angle_gamma 106.06062000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.64730480\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19271846 0.41857961 0.53851371 1\n C C1 1 0.57117602 0.48597602 0.88384513 1\n C C2 1 0.71665588 0.82612265 0.86021132 1\n C C3 1 0.75666448 0.45756323 0.08069723 1\n C C4 1 1.01567532 -0.01960637 0.07945966 1\n C C5 1 0.81101282 0.64890676 0.54284261 1\n C C6 1 0.67885455 0.16687734 0.14992022 1\n C C7 1 0.70830340 0.81183308 0.35812738 1\n C C8 1 0.29117568 0.25547692 0.71933529 1\n C C9 1 0.89388481 0.16251260 0.36931488 1\n C C10 1 0.13298463 -0.09821241 0.73897537 1\n C C11 1 0.03557864 0.73772428 0.22103668 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43783000\n_cell_length_b 4.84480000\n_cell_length_c 5.95402000\n_cell_angle_alpha 73.08287000\n_cell_angle_beta 73.03205000\n_cell_angle_gamma 82.86330000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.29048767\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55332495 0.31571861 0.19953155 1\n C C1 1 0.49231716 0.33094839 0.75869038 1\n C C2 1 0.68415173 0.58622460 0.00463507 1\n C C3 1 0.00569850 0.20072358 0.29497166 1\n C C4 1 0.56067410 0.73319194 0.20074534 1\n C C5 1 0.98332470 0.77872806 0.30454996 1\n C C6 1 0.26671947 -0.08944389 0.65222551 1\n C C7 1 0.05800942 0.19140973 0.73968085 1\n C C8 1 0.87188298 0.93483783 0.49428766 1\n C C9 1 0.28924999 0.61176125 0.84673282 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43226000\n_cell_length_b 6.12881000\n_cell_length_c 6.41190000\n_cell_angle_alpha 106.43970000\n_cell_angle_beta 100.76053000\n_cell_angle_gamma 101.50163000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.77490073\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48128410 0.29107921 0.42787404 1\n C C1 1 0.37114094 0.29118896 0.20592253 1\n C C2 1 0.14803552 0.29137838 0.76163625 1\n C C3 1 0.53249770 0.79183094 0.92071011 1\n C C4 1 0.19975572 0.79221762 0.25444005 1\n C C5 1 1.30866421 0.79154842 0.47620309 1\n C C6 1 -0.02512125 0.79100655 0.80903038 1\n C C7 1 1.03876621 0.29170417 0.53976536 1\n C C8 1 0.70464887 0.29107336 0.87274649 1\n C C9 1 0.64238201 0.79197019 0.14271742 1\n C C10 1 0.81420529 0.29100062 0.09472887 1\n C C11 1 -0.13485752 0.79099547 0.58703021 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40624000\n_cell_length_b 2.47290000\n_cell_length_c 8.55252000\n_cell_angle_alpha 98.29009000\n_cell_angle_beta 91.98801000\n_cell_angle_gamma 68.70188000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.40666282\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58999908 -0.03546477 0.76669095 1\n C C1 1 0.41222805 0.68045929 0.02143642 1\n C C2 1 1.03819176 -0.28027166 0.72501953 1\n C C3 1 0.58453652 0.13281238 0.10000762 1\n C C4 1 0.02826571 0.93306221 0.14339144 1\n C C5 1 0.19906836 0.38627795 0.22210632 1\n C C6 1 0.22970318 0.99709407 0.47314329 1\n C C7 1 0.21370026 1.09291964 0.64569465 1\n C C8 1 1.22314573 0.46035578 0.39402907 1\n C C9 1 0.41319135 0.59294171 0.84613300 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48059000\n_cell_length_b 4.84672000\n_cell_length_c 6.36474000\n_cell_angle_alpha 119.05124000\n_cell_angle_beta 126.85745000\n_cell_angle_gamma 84.50203000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.10917981\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26020330 0.77012129 0.90486140 1\n C C1 1 0.06590198 0.21471312 0.31117603 1\n C C2 1 0.28939569 0.01229824 0.42226590 1\n C C3 1 0.99275712 0.69603951 0.27261623 1\n C C4 1 0.55715400 1.08579519 1.05368852 1\n C C5 1 0.48404217 0.56708594 1.01505593 1\n C C6 1 0.28843355 0.52910403 0.41957252 1\n C C7 1 0.77523741 0.03896424 0.66380965 1\n C C8 1 0.26115546 0.25266409 -0.09321947 1\n C C9 1 0.77426712 0.74263105 0.66268629 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43193000\n_cell_length_b 5.72088000\n_cell_length_c 4.88137000\n_cell_angle_alpha 125.95188000\n_cell_angle_beta 119.94955000\n_cell_angle_gamma 89.95059000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.30374168\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52598227 0.30725101 0.35479176 1\n C C1 1 0.59718563 0.38725741 0.92582942 1\n C C2 1 0.88830680 0.73824213 0.21723911 1\n C C3 1 0.88693009 0.32610525 0.21573984 1\n C C4 1 0.81644520 0.24706186 0.64523897 1\n C C5 1 0.52707681 0.89617234 0.35585811 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48457000\n_cell_length_b 4.08593000\n_cell_length_c 4.67991000\n_cell_angle_alpha 83.32311000\n_cell_angle_beta 74.54294000\n_cell_angle_gamma 89.98898000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45690808\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89844329 0.68227714 0.44732952 1\n C C1 1 0.61407268 0.44373102 0.02046705 1\n C C2 1 0.44288732 0.51313926 0.36090391 1\n C C3 1 0.22451491 -0.02381093 0.79152443 1\n C C4 1 0.38332550 0.15741456 0.47736718 1\n C C5 1 0.95631830 1.03785086 0.33312439 1\n C C6 1 0.72599661 0.75036898 0.78891009 1\n C C7 1 0.11486508 0.21857761 1.01875723 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48743000\n_cell_length_b 4.30493000\n_cell_length_c 4.30436000\n_cell_angle_alpha 131.80191000\n_cell_angle_beta 73.20789000\n_cell_angle_gamma 106.80335000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59211993\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77162582 0.32582750 0.00020489 1\n C C1 1 0.93837495 0.24239090 0.58343055 1\n C C2 1 0.27170828 0.57572424 0.25009721 1\n C C3 1 1.10495915 0.65916083 0.66687155 1\n C C4 1 0.43829248 0.99249416 0.33353822 1\n C C5 1 0.60504162 0.90905757 0.91676388 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45349000\n_cell_length_b 5.59426000\n_cell_length_c 6.57924000\n_cell_angle_alpha 115.19221000\n_cell_angle_beta 90.02462000\n_cell_angle_gamma 90.03161000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.71388181\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47040402 0.33010614 0.14604717 1\n C C1 1 -0.02946509 -0.04384862 0.67719516 1\n C C2 1 0.97091507 0.70217232 0.89203196 1\n C C3 1 -0.02990925 -0.05608340 0.89192061 1\n C C4 1 0.47129330 0.36703873 0.58264339 1\n C C5 1 0.97010015 0.01366485 0.27198188 1\n C C6 1 -0.02833672 0.47561776 0.67738652 1\n C C7 1 -0.02985931 1.16959212 0.12091609 1\n C C8 1 0.47042736 0.08591984 0.41601135 1\n C C9 1 0.47054789 0.57137580 0.14741848 1\n C C10 1 0.47041275 -0.02831379 0.58308788 1\n C C11 1 0.97066034 0.70617896 0.12133000 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51256000\n_cell_length_b 4.11220000\n_cell_length_c 4.18931000\n_cell_angle_alpha 60.59745000\n_cell_angle_beta 107.62446000\n_cell_angle_gamma 90.01813000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.36102504\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02010992 0.66029161 0.54046643 1\n C C1 1 0.78979890 0.33453406 0.15292046 1\n C C2 1 0.17660862 0.94659639 0.92902934 1\n C C3 1 0.78960352 0.70376853 0.15255403 1\n C C4 1 0.97998964 -0.00976009 0.54078318 1\n C C5 1 0.17655184 0.31585540 -0.07121694 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48068000\n_cell_length_b 3.68896000\n_cell_length_c 4.21757000\n_cell_angle_alpha 75.22146000\n_cell_angle_beta 89.91054000\n_cell_angle_gamma 70.37671000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00111468\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66319954 0.70890393 0.67045898 1\n C C1 1 0.18235865 0.67104523 0.89262033 1\n C C2 1 0.44167086 0.15392304 0.46426477 1\n C C3 1 0.98036761 1.06938120 0.96781014 1\n C C4 1 0.86303570 0.31087924 0.59528072 1\n C C5 1 0.40194385 0.22594786 0.09893317 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49099000\n_cell_length_b 3.59205000\n_cell_length_c 4.35348000\n_cell_angle_alpha 95.68817000\n_cell_angle_beta 106.61025000\n_cell_angle_gamma 69.71952000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01431023\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96533976 0.17245486 0.51842649 1\n C C1 1 0.33635961 0.43117523 0.51859302 1\n C C2 1 0.04818485 0.80211627 0.31265996 1\n C C3 1 0.44318464 0.80161709 0.10055347 1\n C C4 1 0.52613194 0.43074216 0.89479183 1\n C C5 1 0.15451411 0.17204358 0.89443943 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43048000\n_cell_length_b 5.38801000\n_cell_length_c 5.92777000\n_cell_angle_alpha 71.99418000\n_cell_angle_beta 101.65212000\n_cell_angle_gamma 102.81687000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.23694737\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18242792 0.51290240 0.26046732 1\n C C1 1 0.78045003 0.91318620 0.06017196 1\n C C2 1 0.58235307 0.11322111 0.46022694 1\n C C3 1 0.37873409 0.31371118 0.85981277 1\n C C4 1 -0.08674686 0.44704444 0.79435717 1\n C C5 1 0.71617875 0.64639644 0.19494434 1\n C C6 1 0.98013851 0.71375202 0.66002251 1\n C C7 1 0.31414509 0.04690059 -0.00540259 1\n C C8 1 0.11709557 0.24613678 0.39497082 1\n C C9 1 0.51554875 0.84653683 0.59489638 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50377000\n_cell_length_b 3.29696000\n_cell_length_c 7.52711000\n_cell_angle_alpha 60.05879000\n_cell_angle_beta 70.90294000\n_cell_angle_gamma 67.80090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.10195433\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62538844 -0.18911740 0.92976316 1\n C C1 1 0.98593479 0.09468917 0.92981169 1\n C C2 1 0.25544305 0.61733960 0.40660409 1\n C C3 1 0.89352318 0.33392468 0.40659880 1\n C C4 1 0.72120693 0.28018467 0.10276977 1\n C C5 1 -0.00433560 0.81788341 0.56449750 1\n C C6 1 0.88424355 0.61023030 0.77203663 1\n C C7 1 0.15808915 1.14888008 0.23360555 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43754000\n_cell_length_b 4.68975000\n_cell_length_c 4.68913000\n_cell_angle_alpha 104.50387000\n_cell_angle_beta 74.95976000\n_cell_angle_gamma 74.86884000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.97193782\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64766532 0.39582057 0.15953784 1\n C C1 1 0.78189695 0.86443382 0.42724927 1\n C C2 1 0.44194256 0.75633059 0.21412764 1\n C C3 1 0.51367870 0.18823936 0.63898345 1\n C C4 1 0.44355572 0.44836467 0.51960259 1\n C C5 1 0.51390889 0.87456505 0.95275060 1\n C C6 1 0.78250163 0.66169628 0.62927519 1\n C C7 1 0.32452123 0.21892306 0.98255241 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32209000\n_cell_length_b 3.91932000\n_cell_length_c 3.78670000\n_cell_angle_alpha 91.86785000\n_cell_angle_beta 84.04527000\n_cell_angle_gamma 74.17278000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.08334655\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69200005 0.20540262 0.53950644 1\n C C1 1 0.17265433 0.76736540 0.91480119 1\n C C2 1 0.78795952 0.09947360 0.90271771 1\n C C3 1 0.03930469 0.60736820 0.26208740 1\n C C4 1 0.36012007 0.58827099 0.54992528 1\n C C5 1 0.41356955 -0.00936093 0.08429622 1\n C C6 1 0.98759546 0.25586126 0.20642714 1\n C C7 1 0.60957142 -0.15427254 0.39390752 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52881000\n_cell_length_b 4.81462000\n_cell_length_c 4.20575000\n_cell_angle_alpha 88.75252000\n_cell_angle_beta 107.15925000\n_cell_angle_gamma 101.29823000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.94318016\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25475167 0.32541355 0.55989136 1\n C C1 1 0.20674380 0.32375134 0.22144258 1\n C C2 1 0.32268466 0.60343176 1.07318726 1\n C C3 1 0.95754103 0.78899020 0.18120547 1\n C C4 1 0.22689913 0.57262591 0.71355776 1\n C C5 1 0.16470184 0.81662136 0.54372444 1\n C C6 1 0.96425506 0.06800179 -0.00298119 1\n C C7 1 0.31786522 0.07219289 0.75825632 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43913000\n_cell_length_b 4.20474000\n_cell_length_c 10.80604000\n_cell_angle_alpha 92.57734000\n_cell_angle_beta 89.99852000\n_cell_angle_gamma 90.00378000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 110.71363841\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61765702 0.80495317 0.25459898 1\n C C1 1 0.61682831 0.69839053 0.86247507 1\n C C2 1 0.11738832 0.18163581 0.08078315 1\n C C3 1 1.11757969 0.14348926 0.69075841 1\n C C4 1 0.61760959 0.14082729 0.62910679 1\n C C5 1 0.11712259 1.19072233 0.82786968 1\n C C6 1 0.61782076 0.17023709 0.49110668 1\n C C7 1 0.11768730 -0.01461369 0.28790566 1\n C C8 1 0.11796575 0.67488356 0.47163262 1\n C C9 1 0.61762464 0.49130531 0.23246996 1\n C C10 1 0.61803069 0.51895487 0.47689703 1\n C C11 1 0.61705729 1.04903696 -0.11468240 1\n C C12 1 0.11781028 0.01148402 0.43581865 1\n C C13 1 1.11760063 0.29986825 0.21420848 1\n C C14 1 0.61727024 1.13445837 0.02152990 1\n C C15 1 0.11669441 0.54243946 0.85247405 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46170000\n_cell_length_b 5.53861000\n_cell_length_c 5.77474000\n_cell_angle_alpha 117.64995000\n_cell_angle_beta 64.94725000\n_cell_angle_gamma 102.72336000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.15427017\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39231202 0.31734310 0.08743737 1\n C C1 1 0.39674378 0.42478465 0.64259679 1\n C C2 1 -0.10478187 0.45498093 0.15298507 1\n C C3 1 0.90483234 0.88174872 0.86013218 1\n C C4 1 1.16340363 0.76732337 0.54548086 1\n C C5 1 0.45261006 0.16483779 0.45860951 1\n C C6 1 -0.17524675 0.74913100 0.37418558 1\n C C7 1 1.01416120 1.01711040 0.32267056 1\n C C8 1 0.31562041 0.01548516 0.01610718 1\n C C9 1 0.91640238 0.57884058 0.69969991 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.24392000\n_cell_length_b 4.49233000\n_cell_length_c 5.91655000\n_cell_angle_alpha 105.33248000\n_cell_angle_beta 136.49621000\n_cell_angle_gamma 75.79667000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.05515600\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60755974 0.86039457 1.14663890 1\n C C1 1 0.77141803 0.35956531 0.81298949 1\n C C2 1 0.35751916 0.61042141 0.64660440 1\n C C3 1 0.27138251 0.85948817 0.81296111 1\n C C4 1 0.85759841 0.11044867 0.64666283 1\n C C5 1 0.10754127 0.36046624 0.14661948 1\n C C6 1 1.02143306 0.60951916 0.31300128 1\n C C7 1 0.52138213 0.10954477 0.31295181 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48442000\n_cell_length_b 5.57835000\n_cell_length_c 7.29493000\n_cell_angle_alpha 139.13275000\n_cell_angle_beta 80.18821000\n_cell_angle_gamma 116.45483000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.78174938\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94038657 0.50534487 0.59520432 1\n C C1 1 0.60938270 0.13263955 0.51191594 1\n C C2 1 0.61510740 0.76829575 0.77158436 1\n C C3 1 0.88921039 1.02239128 0.72870254 1\n C C4 1 0.93409020 0.86931160 0.33562221 1\n C C5 1 0.95743824 0.38830895 0.32433963 1\n C C6 1 0.61611995 0.90998549 0.05209833 1\n C C7 1 -0.06871995 0.72646592 0.05497636 1\n C C8 1 0.65631444 0.61423174 0.37788366 1\n C C9 1 0.58858516 0.24831397 0.78250145 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45340000\n_cell_length_b 4.16646000\n_cell_length_c 5.09497000\n_cell_angle_alpha 105.71020000\n_cell_angle_beta 103.89905000\n_cell_angle_gamma 90.03577000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.54694627\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03849464 0.56189693 1.01789331 1\n C C1 1 0.57672388 0.08836276 0.09421030 1\n C C2 1 1.01082436 0.19561057 0.95974908 1\n C C3 1 0.54659864 0.72293084 0.03631546 1\n C C4 1 0.84040223 1.01439449 0.62094277 1\n C C5 1 0.27730661 0.47757330 0.49209227 1\n C C6 1 0.31012634 0.81115622 0.56196529 1\n C C7 1 0.74709180 0.27401469 0.43273592 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46976000\n_cell_length_b 3.23472000\n_cell_length_c 5.18875000\n_cell_angle_alpha 90.54293000\n_cell_angle_beta 89.99323000\n_cell_angle_gamma 112.49429000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.29700714\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70643378 0.63281102 0.37855424 1\n C C1 1 0.70243232 0.62431310 0.63475850 1\n C C2 1 0.20638872 0.63293529 0.22569917 1\n C C3 1 0.20218961 0.62403351 0.78746594 1\n C C4 1 0.38371811 -0.01045420 1.00771458 1\n C C5 1 0.02333768 0.26735369 0.00726627 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47553000\n_cell_length_b 4.79358000\n_cell_length_c 4.79326000\n_cell_angle_alpha 51.75760000\n_cell_angle_beta 89.98984000\n_cell_angle_gamma 89.99950000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.67345258\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12639832 0.52403926 0.52080402 1\n C C1 1 0.62615707 0.76817326 0.76467680 1\n C C2 1 0.12653028 1.15459490 -0.10981002 1\n C C3 1 0.62652392 0.94692493 0.94300168 1\n C C4 1 1.12612890 0.19063544 0.18777491 1\n C C5 1 0.62612863 0.39823467 1.13469031 1\n C C6 1 0.12624128 -0.17870445 0.55708718 1\n C C7 1 0.62647870 0.57699838 0.31305231 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.89992000\n_cell_length_b 3.63700000\n_cell_length_c 4.81766000\n_cell_angle_alpha 67.87086000\n_cell_angle_beta 91.64290000\n_cell_angle_gamma 71.45926000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.98385128\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10657329 0.54293308 0.12385472 1\n C C1 1 1.10491183 0.13722422 0.31549249 1\n C C2 1 0.10257917 0.57892145 0.81592244 1\n C C3 1 0.10439496 0.98461628 0.62455869 1\n C C4 1 0.10136681 0.19892284 0.81545228 1\n C C5 1 0.10825063 0.92256953 0.12483308 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.54698000\n_cell_length_b 3.58074000\n_cell_length_c 5.62650000\n_cell_angle_alpha 99.00424000\n_cell_angle_beta 94.50302000\n_cell_angle_gamma 59.64859000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.90689344\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58247625 0.45834978 0.39862918 1\n C C1 1 0.11596580 1.06240907 0.69597425 1\n C C2 1 0.53989406 0.76451863 0.22205098 1\n C C3 1 0.58191603 -0.15453507 0.79708953 1\n C C4 1 0.81291316 0.11551481 0.89721880 1\n C C5 1 0.81369476 -0.04257350 0.29947676 1\n C C6 1 0.88632932 0.49969306 0.59840021 1\n C C7 1 0.11639653 0.70667035 0.49979692 1\n C C8 1 0.53951661 0.58251669 0.97478994 1\n C C9 1 0.09927180 0.89301607 0.09776021 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48721000\n_cell_length_b 2.48725000\n_cell_length_c 6.08866000\n_cell_angle_alpha 90.00375000\n_cell_angle_beta 90.00544000\n_cell_angle_gamma 59.96150000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60735948\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67136679 0.65633832 0.57257504 1\n C C1 1 0.67138331 0.65635485 0.32192949 1\n C C2 1 0.33804998 0.32302151 0.98859616 1\n C C3 1 1.00471664 -0.01031182 0.65526282 1\n C C4 1 0.00470012 0.98967166 0.90590837 1\n C C5 1 0.33803345 0.32300499 0.23924171 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42693000\n_cell_length_b 4.23260000\n_cell_length_c 4.23314000\n_cell_angle_alpha 94.61458000\n_cell_angle_beta 90.03670000\n_cell_angle_gamma 89.98149000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34279615\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05433565 0.50166308 0.24343599 1\n C C1 1 0.55414235 1.01007321 0.32336886 1\n C C2 1 0.55402508 0.42249590 0.73516292 1\n C C3 1 1.05412115 0.85263017 0.30508346 1\n C C4 1 0.05409013 0.44102790 -0.10730863 1\n C C5 1 0.55436524 0.36065215 0.38462269 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42661000\n_cell_length_b 4.81331000\n_cell_length_c 6.58211000\n_cell_angle_alpha 115.37255000\n_cell_angle_beta 79.30532000\n_cell_angle_gamma 120.35501000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.89349246\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54093539 0.20295994 0.92166890 1\n C C1 1 0.52957280 0.65548654 0.85265334 1\n C C2 1 0.66420447 0.44808424 0.16252222 1\n C C3 1 0.04671986 0.03401063 0.56933243 1\n C C4 1 0.25408840 0.58853151 0.26404818 1\n C C5 1 0.45762691 -0.10585383 0.46735072 1\n C C6 1 1.18840198 0.82771068 0.88067081 1\n C C7 1 0.17347189 0.27918529 0.80987331 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42921000\n_cell_length_b 4.15278000\n_cell_length_c 6.42099000\n_cell_angle_alpha 86.46442000\n_cell_angle_beta 100.85313000\n_cell_angle_gamma 89.93703000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 63.48974354\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46347326 0.47501604 0.64674152 1\n C C1 1 0.34045581 1.09039945 0.37695897 1\n C C2 1 0.78578569 0.07340895 0.27017197 1\n C C3 1 0.67541291 1.02926857 0.04796559 1\n C C4 1 0.97596905 0.62830586 0.66950052 1\n C C5 1 0.12041037 0.01233283 0.94149085 1\n C C6 1 1.00101333 -0.02597635 0.70910547 1\n C C7 1 0.45101908 0.12896044 0.60876441 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44612000\n_cell_length_b 3.64584000\n_cell_length_c 8.46195000\n_cell_angle_alpha 101.07886000\n_cell_angle_beta 89.97831000\n_cell_angle_gamma 109.63698000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.58299707\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20835836 0.30504990 0.17955324 1\n C C1 1 0.79150841 0.47047101 0.11404146 1\n C C2 1 0.26789070 0.41748140 0.85660191 1\n C C3 1 0.72981069 0.35174057 0.42813796 1\n C C4 1 0.00770230 0.90210596 0.21609314 1\n C C5 1 0.74924042 0.38492728 0.60402355 1\n C C6 1 0.51720732 0.92089432 0.32496004 1\n C C7 1 0.77378027 0.42934667 0.93771022 1\n C C8 1 0.25524804 0.39573384 0.68466965 1\n C C9 1 0.31324369 0.51857514 0.36299624 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48352000\n_cell_length_b 3.79065000\n_cell_length_c 5.92845000\n_cell_angle_alpha 82.33380000\n_cell_angle_beta 77.91534000\n_cell_angle_gamma 89.96938000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.06513361\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81229264 0.37642760 0.70865573 1\n C C1 1 0.47626209 0.14945787 0.37948481 1\n C C2 1 -0.09550269 0.70517576 0.52427776 1\n C C3 1 0.48096826 0.73901714 0.37088837 1\n C C4 1 0.56906187 0.47746880 0.19514386 1\n C C5 1 1.24448537 0.38296196 0.84513426 1\n C C6 1 -0.10043094 0.11535387 0.53302510 1\n C C7 1 0.13755749 0.47051580 0.05856781 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.62355000\n_cell_length_b 5.59437000\n_cell_length_c 4.82278000\n_cell_angle_alpha 92.64398000\n_cell_angle_beta 112.07698000\n_cell_angle_gamma 95.15668000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 89.89120164\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50616552 0.26406121 0.36265812 1\n C C1 1 0.06465922 0.25996395 0.86259574 1\n C C2 1 0.80276648 0.76072410 0.38217514 1\n C C3 1 0.91088728 0.26164476 0.55350963 1\n C C4 1 0.46988599 0.26096441 0.05450456 1\n C C5 1 0.36166491 0.75821336 0.88218009 1\n C C6 1 0.12533738 0.26456971 0.36330054 1\n C C7 1 1.01606849 0.75926070 0.19072357 1\n C C8 1 0.85192210 0.26283071 0.05451076 1\n C C9 1 0.39778870 0.76046181 0.19040620 1\n C C10 1 -0.04310729 0.76016900 0.69151287 1\n C C11 1 0.74292671 0.75836377 0.88186108 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46841000\n_cell_length_b 3.37054000\n_cell_length_c 5.21844000\n_cell_angle_alpha 88.78966000\n_cell_angle_beta 89.83998000\n_cell_angle_gamma 68.80009000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.46893146\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81846351 0.22563152 0.41122930 1\n C C1 1 0.19665100 0.47543457 0.81071853 1\n C C2 1 0.67073085 0.52766367 0.93432146 1\n C C3 1 0.04168617 0.78230118 0.33314399 1\n C C4 1 0.62956612 0.60632107 0.20861984 1\n C C5 1 0.23119166 0.40135899 0.53580339 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46062000\n_cell_length_b 3.37924000\n_cell_length_c 9.54109000\n_cell_angle_alpha 94.79736000\n_cell_angle_beta 83.75989000\n_cell_angle_gamma 89.87318000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 110.51920153\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.31093713 0.50687359 0.29572399 1\n C C1 1 0.64434745 0.17390497 0.28434497 1\n C C2 1 0.90388052 0.46655296 0.36111048 1\n C C3 1 -0.34017961 0.68708168 0.60532202 1\n C C4 1 0.84301604 -0.00572844 0.83489867 1\n C C5 1 0.84242304 0.33334035 0.51254657 1\n C C6 1 0.30050380 0.53858206 0.68594580 1\n C C7 1 0.35393820 0.47643919 0.83290843 1\n C C8 1 0.58687049 0.75387240 0.90663733 1\n C C9 1 0.16370155 1.18358114 0.59376026 1\n C C10 1 0.58456994 0.81098451 0.36182357 1\n C C11 1 0.70480825 0.16619514 0.12759742 1\n C C12 1 0.45018040 0.86287418 0.05679200 1\n C C13 1 0.53526828 -0.00344411 0.51339334 1\n C C14 1 0.08202560 1.26302082 0.90843098 1\n C C15 1 0.37314553 0.49838133 0.13191591 1\n C C16 1 1.11024646 0.20364250 0.05805689 1\n C C17 1 0.97362055 0.86935755 0.68626356 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46382000\n_cell_length_b 3.36097000\n_cell_length_c 9.88711000\n_cell_angle_alpha 78.63458000\n_cell_angle_beta 80.69059000\n_cell_angle_gamma 77.46132000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 77.74556326\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76360321 0.84314751 0.19995030 1\n C C1 1 0.73363766 0.39545523 0.82586784 1\n C C2 1 0.47013398 0.71000180 0.92769017 1\n C C3 1 -0.10649759 0.97851522 0.92760489 1\n C C4 1 0.35639747 0.41428005 0.06405896 1\n C C5 1 0.69576421 0.42324560 0.49396467 1\n C C6 1 0.50126387 0.15698600 0.30175065 1\n C C7 1 0.95620139 0.11071870 0.39283100 1\n C C8 1 0.28133321 0.44018068 0.73483153 1\n C C9 1 0.11700332 0.69668831 0.49390434 1\n C C10 1 0.54420705 0.12769019 0.63352313 1\n C C11 1 0.33988752 0.57480821 0.20008896 1\n C C12 1 0.12305590 0.85426623 0.63354204 1\n C C13 1 0.87862061 0.13891524 0.06391942 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48621000\n_cell_length_b 4.96261000\n_cell_length_c 7.62438000\n_cell_angle_alpha 62.80606000\n_cell_angle_beta 61.31855000\n_cell_angle_gamma 59.93223000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.45602535\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60145459 1.00205416 0.30813238 1\n C C1 1 0.31986444 0.81483719 0.94688186 1\n C C2 1 0.41562465 0.57429862 0.70450498 1\n C C3 1 0.30485839 0.84858079 0.27409079 1\n C C4 1 0.73171009 0.26375375 0.70088034 1\n C C5 1 0.28519507 0.31309740 0.31133689 1\n C C6 1 1.36426491 0.07866318 0.73667748 1\n C C7 1 0.71228757 0.72847271 0.73797746 1\n C C8 1 0.65282378 0.49802083 0.27538855 1\n C C9 1 -0.30196220 0.76296047 0.06508807 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43002000\n_cell_length_b 2.43034000\n_cell_length_c 11.43388000\n_cell_angle_alpha 89.99185000\n_cell_angle_beta 79.53683000\n_cell_angle_gamma 59.96894000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.16125626\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41188393 0.88001386 0.51878876 1\n C C1 1 0.52081606 0.36132542 0.26989753 1\n C C2 1 0.74521822 0.21306087 0.51873334 1\n C C3 1 0.18701494 0.60669282 1.02192412 1\n C C4 1 0.52124851 -0.06040915 1.02142841 1\n C C5 1 0.77820263 0.77206329 0.76989907 1\n C C6 1 -0.14571978 0.69481877 0.26982023 1\n C C7 1 0.11238269 0.10455211 0.76937165 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42980000\n_cell_length_b 2.42982000\n_cell_length_c 8.45838000\n_cell_angle_alpha 88.16000000\n_cell_angle_beta 97.67944000\n_cell_angle_gamma 120.01272000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.81915604\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16701451 0.13640134 0.19599787 1\n C C1 1 0.63578220 0.52145874 0.86253250 1\n C C2 1 0.46670724 0.44573473 0.53796473 1\n C C3 1 0.83325372 0.46930946 0.19567016 1\n C C4 1 0.80000162 0.11294931 0.53751127 1\n C C5 1 0.30265151 0.85529961 0.86266187 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48778000\n_cell_length_b 4.06273000\n_cell_length_c 5.29480000\n_cell_angle_alpha 58.49498000\n_cell_angle_beta 89.98284000\n_cell_angle_gamma 90.00938000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.62699950\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88492955 0.50905508 0.37359369 1\n C C1 1 0.38468723 0.66377620 0.67663448 1\n C C2 1 0.88503550 0.00737606 0.90649009 1\n C C3 1 0.38521676 0.01972082 0.32882369 1\n C C4 1 -0.11471054 -0.06743111 0.21446286 1\n C C5 1 0.38493680 0.42219375 0.25909433 1\n C C6 1 0.88463525 0.43341260 0.68169957 1\n C C7 1 0.38493524 0.77729999 0.91162100 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43198000\n_cell_length_b 5.59899000\n_cell_length_c 6.56449000\n_cell_angle_alpha 82.82486000\n_cell_angle_beta 103.40555000\n_cell_angle_gamma 89.84953000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.22365496\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62909730 0.61831180 0.41621368 1\n C C1 1 0.71734387 0.86940901 0.70829611 1\n C C2 1 0.30439094 0.23025895 0.51779974 1\n C C3 1 1.11543947 0.02661266 0.39687444 1\n C C4 1 0.65721735 0.87176307 0.47693977 1\n C C5 1 0.22472806 0.22475464 0.84196872 1\n C C6 1 0.94087279 0.10283190 0.16997581 1\n C C7 1 0.49222539 0.61906523 0.18012841 1\n C C8 1 0.79480322 0.62808954 0.83669553 1\n C C9 1 0.37504230 0.14640275 0.06913889 1\n C C10 1 0.63732513 0.12520313 0.73582031 1\n C C11 1 0.25010923 0.49553952 0.76549376 1\n C C12 1 -0.06731567 0.62410620 0.07360380 1\n C C13 1 0.18458852 0.49012380 0.51843382 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29343000\n_cell_length_b 3.31101000\n_cell_length_c 4.82310000\n_cell_angle_alpha 102.36343000\n_cell_angle_beta 77.68581000\n_cell_angle_gamma 100.30169000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.70115187\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03159326 0.69110267 0.05116523 1\n C C1 1 0.92573083 0.83277764 0.59239625 1\n C C2 1 0.39524038 0.05372020 0.05089372 1\n C C3 1 0.34671666 0.37505996 0.87731489 1\n C C4 1 0.81248355 0.59975196 0.33628313 1\n C C5 1 0.48384721 0.27437292 0.33632942 1\n C C6 1 0.71048384 0.73785782 0.87714502 1\n C C7 1 0.25450346 0.15823193 0.59222133 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44228000\n_cell_length_b 2.54661000\n_cell_length_c 6.90322000\n_cell_angle_alpha 80.38612000\n_cell_angle_beta 109.66797000\n_cell_angle_gamma 85.92426000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.48574700\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29654807 0.23563435 0.05786958 1\n C C1 1 0.69036627 0.28812738 0.95027781 1\n C C2 1 0.46903578 0.39426001 0.72845654 1\n C C3 1 0.63165352 0.56374773 0.39125083 1\n C C4 1 0.52702774 0.11792579 0.28739634 1\n C C5 1 -0.13719718 0.44597484 0.62080991 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47463000\n_cell_length_b 3.69307000\n_cell_length_c 6.11397000\n_cell_angle_alpha 101.95861000\n_cell_angle_beta 101.68308000\n_cell_angle_gamma 89.99804000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.47907618\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22088700 0.80852241 0.16378630 1\n C C1 1 0.45307345 0.79406782 0.62576602 1\n C C2 1 0.21998218 0.40109549 0.16143345 1\n C C3 1 1.12837637 0.03932167 0.97767144 1\n C C4 1 0.56104805 0.96743182 0.84360233 1\n C C5 1 0.79265854 -0.04895661 0.30580109 1\n C C6 1 -0.20611094 0.35881112 0.30812131 1\n C C7 1 0.88555794 0.71912097 0.49167106 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48786000\n_cell_length_b 2.48835000\n_cell_length_c 6.08900000\n_cell_angle_alpha 90.01750000\n_cell_angle_beta 90.02253000\n_cell_angle_gamma 120.01529000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.63976097\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46157326 0.95510781 -0.02612446 1\n C C1 1 0.79488085 0.62184735 0.30720807 1\n C C2 1 0.46160653 -0.04472910 0.72316257 1\n C C3 1 1.12818139 0.28861105 0.64054544 1\n C C4 1 0.79499840 0.62176766 0.05649267 1\n C C5 1 0.12829894 0.28853136 0.38983003 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47532000\n_cell_length_b 4.24756000\n_cell_length_c 3.72205000\n_cell_angle_alpha 115.97833000\n_cell_angle_beta 89.99408000\n_cell_angle_gamma 90.00277000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17979749\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80367562 0.30869521 0.43466065 1\n C C1 1 0.80386217 0.30906211 0.84351484 1\n C C2 1 0.30383396 0.80805186 0.38874462 1\n C C3 1 0.30385110 1.08587689 0.82328949 1\n C C4 1 0.30377880 0.08606648 0.23220898 1\n C C5 1 -0.19606815 0.58684406 0.27805453 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43270000\n_cell_length_b 4.00610000\n_cell_length_c 4.64006000\n_cell_angle_alpha 84.29381000\n_cell_angle_beta 105.69440000\n_cell_angle_gamma 89.70916000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.29460153\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57455426 0.81552030 0.18350764 1\n C C1 1 0.79525357 0.26305481 0.62597418 1\n C C2 1 0.12898931 -0.07184813 0.29361067 1\n C C3 1 0.24088587 0.14970887 0.51602302 1\n C C4 1 0.90875646 0.48016139 0.85143979 1\n C C5 1 0.46340823 0.59222825 -0.03778600 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48423000\n_cell_length_b 5.57798000\n_cell_length_c 7.29427000\n_cell_angle_alpha 139.12868000\n_cell_angle_beta 80.18990000\n_cell_angle_gamma 116.45439000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.77371584\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18188251 0.56502810 0.56983709 1\n C C1 1 0.51304024 -0.06239871 0.65302130 1\n C C2 1 0.53159120 0.82182186 0.38230007 1\n C C3 1 0.16156390 0.68149698 0.84043159 1\n C C4 1 1.19037634 0.34385140 0.10994793 1\n C C5 1 0.50498740 0.16015689 0.11279340 1\n C C6 1 0.22972883 0.04731526 0.43593318 1\n C C7 1 0.50709487 0.30219246 0.39360677 1\n C C8 1 1.18834456 0.20098312 0.82926781 1\n C C9 1 0.46236325 0.45544064 0.78678006 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48604000\n_cell_length_b 5.71199000\n_cell_length_c 6.67541000\n_cell_angle_alpha 80.81402000\n_cell_angle_beta 79.24745000\n_cell_angle_gamma 102.56032000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 88.89594695\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60231777 -0.07546660 0.60145805 1\n C C1 1 0.33909548 0.28608992 0.48826665 1\n C C2 1 -0.13337399 0.85695191 0.00347537 1\n C C3 1 0.32521799 0.72173929 0.94993851 1\n C C4 1 0.40479871 0.66543086 0.73414132 1\n C C5 1 0.55842907 0.34435028 0.10468685 1\n C C6 1 0.36604595 0.15420575 0.30592692 1\n C C7 1 0.10603861 0.62726461 0.29771356 1\n C C8 1 0.62700237 0.26895762 0.89179736 1\n C C9 1 0.76179378 -0.00523117 0.35575269 1\n C C10 1 -0.09112625 0.43789498 0.49920437 1\n C C11 1 0.14178994 0.05953762 0.65453622 1\n C C12 1 0.12914570 0.49553293 0.11533115 1\n C C13 1 0.70989818 0.78649136 0.24871168 1\n C C14 1 0.84083515 0.51393811 0.71130487 1\n C C15 1 1.06142812 0.11667142 0.86972664 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32262000\n_cell_length_b 3.32348000\n_cell_length_c 4.33452000\n_cell_angle_alpha 90.41136000\n_cell_angle_beta 90.41499000\n_cell_angle_gamma 83.52803000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.55737703\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17306519 0.51979100 0.49757227 1\n C C1 1 0.82285551 -0.12991030 0.49758430 1\n C C2 1 0.79903107 0.84796989 0.14766182 1\n C C3 1 0.07216623 1.12242285 -0.01922765 1\n C C4 1 0.90252313 0.24399456 0.66467262 1\n C C5 1 0.15188031 0.49622557 0.14771236 1\n C C6 1 0.54691762 0.59874430 0.66476104 1\n C C7 1 0.42497404 0.76919763 0.98066285 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48458000\n_cell_length_b 4.59491000\n_cell_length_c 5.48693000\n_cell_angle_alpha 110.43169000\n_cell_angle_beta 90.01323000\n_cell_angle_gamma 74.33136000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.21108914\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90284760 0.72669284 0.72330832 1\n C C1 1 -0.00448621 0.54496222 0.15265926 1\n C C2 1 0.25634755 0.02620482 0.39060347 1\n C C3 1 0.44710560 0.64320496 0.32624150 1\n C C4 1 0.71241471 0.11005570 0.78800389 1\n C C5 1 -0.11967626 0.77557586 0.00844918 1\n C C6 1 0.67393751 1.19050174 0.53837775 1\n C C7 1 0.16270667 0.20901899 0.96201211 1\n C C8 1 0.48514953 0.56232765 0.57543968 1\n C C9 1 0.28040148 0.97755852 0.10561824 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.08775000\n_cell_length_b 2.42701000\n_cell_length_c 5.66753000\n_cell_angle_alpha 79.86831000\n_cell_angle_beta 89.23569000\n_cell_angle_gamma 94.13603000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.68661301\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08593881 0.14914508 0.40577477 1\n C C1 1 0.14079152 0.26054769 0.18512393 1\n C C2 1 0.47417466 0.92720599 0.85180454 1\n C C3 1 0.80744948 0.59388344 0.51845184 1\n C C4 1 0.24744434 0.81580338 0.07245538 1\n C C5 1 0.58078638 0.48246763 0.73912747 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45361000\n_cell_length_b 3.35440000\n_cell_length_c 7.60715000\n_cell_angle_alpha 106.45515000\n_cell_angle_beta 89.87015000\n_cell_angle_gamma 111.63114000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.44915182\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67789111 0.37418746 0.58027582 1\n C C1 1 0.97144687 0.96511142 0.30076475 1\n C C2 1 0.22812940 0.47729539 0.01424020 1\n C C3 1 0.24433439 0.50631508 0.67073791 1\n C C4 1 0.85245095 0.72407623 0.10436910 1\n C C5 1 0.98469122 -0.01088547 0.95760020 1\n C C6 1 0.36266788 0.74392603 0.86740270 1\n C C7 1 0.53941879 0.09863955 0.39096312 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43022000\n_cell_length_b 5.78343000\n_cell_length_c 3.98985000\n_cell_angle_alpha 52.75831000\n_cell_angle_beta 89.95483000\n_cell_angle_gamma 77.81219000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.05155294\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52474307 0.93061107 0.79467175 1\n C C1 1 0.30201146 0.37514898 0.90579183 1\n C C2 1 0.85823846 0.26459363 0.12833335 1\n C C3 1 0.63542343 0.70818673 0.23880058 1\n C C4 1 0.96887173 0.04051610 0.57191222 1\n C C5 1 0.19110625 0.59864198 0.46197047 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47449000\n_cell_length_b 3.69417000\n_cell_length_c 6.14769000\n_cell_angle_alpha 77.33222000\n_cell_angle_beta 78.43841000\n_cell_angle_gamma 90.01301000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.65933160\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60050108 0.35231107 0.12646723 1\n C C1 1 0.83041000 0.74880925 0.66342815 1\n C C2 1 0.25860544 0.78826262 0.80921152 1\n C C3 1 -0.07798058 1.11327686 0.47987258 1\n C C4 1 0.25960847 0.19562902 0.80741124 1\n C C5 1 1.16709772 0.42340435 0.99249317 1\n C C6 1 0.48858244 0.18655575 0.34587442 1\n C C7 1 0.82927303 0.34113649 0.66568428 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48637000\n_cell_length_b 4.98198000\n_cell_length_c 6.76685000\n_cell_angle_alpha 81.58846000\n_cell_angle_beta 89.94067000\n_cell_angle_gamma 90.00732000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.91955713\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11620520 0.59951419 0.12771375 1\n C C1 1 0.88589742 -0.06490021 0.35283355 1\n C C2 1 -0.11653411 0.34977617 1.05414780 1\n C C3 1 0.88475636 0.07527659 0.14186883 1\n C C4 1 0.88430933 0.35669426 0.83665718 1\n C C5 1 0.38508903 0.91898608 0.86000397 1\n C C6 1 0.38540624 0.77240534 0.67571757 1\n C C7 1 0.38562330 0.26265328 0.54577701 1\n C C8 1 0.88532079 0.60104616 0.67909249 1\n C C9 1 0.38567530 0.98477463 0.47780284 1\n C C10 1 0.88447174 0.86767953 0.99522469 1\n C C11 1 0.38476597 0.21187551 0.77535146 1\n C C12 1 0.88588073 0.44066597 0.50111639 1\n C C13 1 0.88562121 0.64249860 0.32256188 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45675000\n_cell_length_b 3.66299000\n_cell_length_c 6.46364000\n_cell_angle_alpha 98.80697000\n_cell_angle_beta 100.95712000\n_cell_angle_gamma 109.58771000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.30229285\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08454847 1.00448738 0.63646940 1\n C C1 1 0.94593390 -0.03849310 0.39944770 1\n C C2 1 0.24807467 0.90777870 1.05647899 1\n C C3 1 0.54755629 0.84291470 0.72369577 1\n C C4 1 0.38637237 0.94895546 0.29329865 1\n C C5 1 0.78626241 1.07040468 -0.02998990 1\n C C6 1 0.37271152 0.44209484 0.77311681 1\n C C7 1 0.96016258 0.47000553 -0.08056003 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.22029000\n_cell_length_b 4.81603000\n_cell_length_c 5.49720000\n_cell_angle_alpha 65.69449000\n_cell_angle_beta 75.38780000\n_cell_angle_gamma 72.76895000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.37526940\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51895204 0.84181612 0.32088370 1\n C C1 1 0.70126048 0.34980500 -0.00395300 1\n C C2 1 0.30181851 0.68010797 0.59352322 1\n C C3 1 0.47723475 0.17567895 0.26245927 1\n C C4 1 -0.04323895 0.83685855 0.71705537 1\n C C5 1 0.95118079 0.65709945 0.21343239 1\n C C6 1 0.73208277 0.66248219 0.98274104 1\n C C7 1 0.48234643 0.35500565 0.76503052 1\n C C8 1 0.13487429 0.16619804 -0.10925860 1\n C C9 1 0.91450830 0.17097165 0.65739164 1\n C C10 1 0.13157003 0.33239885 0.38564593 1\n C C11 1 1.29848635 0.84608948 0.08848462 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40855000\n_cell_length_b 4.30827000\n_cell_length_c 4.00779000\n_cell_angle_alpha 51.57279000\n_cell_angle_beta 80.70985000\n_cell_angle_gamma 76.37609000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.80025118\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52635825 0.01184697 0.02303482 1\n C C1 1 0.83190360 0.35868076 0.36854115 1\n C C2 1 0.33483353 0.79863406 0.42891137 1\n C C3 1 0.52612696 0.39302187 0.64217886 1\n C C4 1 0.02365628 -0.04711094 0.58178635 1\n C C5 1 0.83148569 0.73964448 -0.01265005 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45786000\n_cell_length_b 5.51768000\n_cell_length_c 7.64590000\n_cell_angle_alpha 78.03380000\n_cell_angle_beta 108.70396000\n_cell_angle_gamma 102.86894000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 94.70536090\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43568407 0.53497851 0.44255160 1\n C C1 1 0.20777660 0.31449991 0.83104406 1\n C C2 1 0.80371363 0.41338777 0.87687788 1\n C C3 1 0.81308237 -0.08109024 0.13259646 1\n C C4 1 0.03279076 0.63366516 0.48930042 1\n C C5 1 -0.12442416 0.83108395 0.73704897 1\n C C6 1 0.24940817 0.27813235 0.38736200 1\n C C7 1 0.62377271 0.20507356 0.29829864 1\n C C8 1 0.98774373 0.66896842 0.93229672 1\n C C9 1 0.61299728 0.73900534 1.02217206 1\n C C10 1 0.42352567 0.02103836 0.19099374 1\n C C11 1 0.25225376 0.82200656 0.61748757 1\n C C12 1 -0.01343214 0.12711742 0.70255036 1\n C C13 1 0.36416147 0.11822172 0.58326232 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51558000\n_cell_length_b 4.15274000\n_cell_length_c 5.59288000\n_cell_angle_alpha 89.99985000\n_cell_angle_beta 89.95296000\n_cell_angle_gamma 90.00139000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.42627912\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31782396 0.17738909 0.74443253 1\n C C1 1 0.81998089 0.30995482 0.34557427 1\n C C2 1 0.31941882 1.17742911 0.22214992 1\n C C3 1 0.32005783 0.81013012 0.22206719 1\n C C4 1 -0.18029239 0.67798855 0.62071101 1\n C C5 1 1.31697123 0.33210192 -0.01688592 1\n C C6 1 0.81896662 0.30993348 0.62071785 1\n C C7 1 0.82053583 0.67798029 0.34557241 1\n C C8 1 0.31758025 0.65418953 -0.01688902 1\n C C9 1 0.31864725 -0.18985752 0.74449416 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47483000\n_cell_length_b 3.72201000\n_cell_length_c 4.24877000\n_cell_angle_alpha 115.99259000\n_cell_angle_beta 89.99859000\n_cell_angle_gamma 90.00056000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17820749\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22719763 1.02408401 0.50371986 1\n C C1 1 0.72710269 0.56969334 0.00305594 1\n C C2 1 0.22703296 0.45902599 0.78162206 1\n C C3 1 0.72684000 0.41243254 0.28077616 1\n C C4 1 0.22692605 0.61575360 0.50379014 1\n C C5 1 0.72726226 1.00423402 0.28078254 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47281000\n_cell_length_b 3.40783000\n_cell_length_c 9.00529000\n_cell_angle_alpha 71.44871000\n_cell_angle_beta 90.01952000\n_cell_angle_gamma 111.30172000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.45559696\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76635322 1.11312689 0.08218413 1\n C C1 1 0.27130846 1.12343338 0.28285966 1\n C C2 1 0.30434760 0.18960288 0.82801114 1\n C C3 1 0.13906468 0.86059527 0.16134569 1\n C C4 1 1.10238473 0.78437696 0.78604495 1\n C C5 1 0.89518158 0.37288290 0.20411522 1\n C C6 1 0.17451433 -0.07008472 0.45511753 1\n C C7 1 0.85429225 0.28788479 0.90675609 1\n C C8 1 0.55392240 0.68937868 0.70633142 1\n C C9 1 0.63254476 -0.15279414 0.53403368 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47273000\n_cell_length_b 4.80410000\n_cell_length_c 5.94187000\n_cell_angle_alpha 126.46594000\n_cell_angle_beta 89.98431000\n_cell_angle_gamma 121.00715000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.59996610\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35800081 0.46357494 0.14245662 1\n C C1 1 0.15122345 0.25611152 0.80924050 1\n C C2 1 0.98398802 0.08939233 0.14227285 1\n C C3 1 0.15063888 0.75625238 0.30918573 1\n C C4 1 0.35854356 0.96341438 0.64245811 1\n C C5 1 0.98358108 0.58917872 0.64228170 1\n C C6 1 0.52481150 1.13014555 0.30902083 1\n C C7 1 0.52457730 0.62998960 0.80905257 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42888000\n_cell_length_b 4.15961000\n_cell_length_c 6.38647000\n_cell_angle_alpha 83.94169000\n_cell_angle_beta 100.90038000\n_cell_angle_gamma 89.95521000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.99149418\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17975612 0.61844604 0.39431962 1\n C C1 1 0.66685852 0.46636498 0.37234894 1\n C C2 1 0.31025415 0.98392055 0.66968085 1\n C C3 1 0.52922927 0.09002344 0.10103506 1\n C C4 1 0.97353897 1.06873515 0.99462496 1\n C C5 1 0.86477436 1.01056876 0.77473351 1\n C C6 1 0.19708258 -0.03976242 0.43566327 1\n C C7 1 0.64535904 0.12306429 0.33367457 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48074000\n_cell_length_b 3.68697000\n_cell_length_c 4.21783000\n_cell_angle_alpha 74.92830000\n_cell_angle_beta 89.85037000\n_cell_angle_gamma 70.41470000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.94385898\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28452431 1.02499102 0.28535612 1\n C C1 1 0.70582047 0.18220990 0.41579464 1\n C C2 1 0.82716787 -0.06458079 0.79002648 1\n C C3 1 0.50863682 0.57918355 0.49179763 1\n C C4 1 1.02846952 0.53805175 0.71430755 1\n C C5 1 0.24893812 1.09226797 0.92064868 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49064000\n_cell_length_b 4.01196000\n_cell_length_c 6.26467000\n_cell_angle_alpha 83.90491000\n_cell_angle_beta 89.98556000\n_cell_angle_gamma 89.99392000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.24489304\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35351083 0.63542128 0.79505221 1\n C C1 1 0.85344568 0.38091469 1.09521160 1\n C C2 1 0.85329773 0.05733729 0.15204294 1\n C C3 1 0.35327718 0.70655958 0.42591830 1\n C C4 1 0.35339290 0.57606391 0.04855664 1\n C C5 1 0.35330863 0.86539714 0.19134746 1\n C C6 1 0.85347675 0.47083181 0.72427731 1\n C C7 1 0.85330182 0.51019809 0.48578876 1\n C C8 1 0.85351558 0.16170206 0.61183740 1\n C C9 1 0.35352461 -0.04509116 0.61445728 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31984000\n_cell_length_b 3.51765000\n_cell_length_c 3.51704000\n_cell_angle_alpha 59.96877000\n_cell_angle_beta 90.00248000\n_cell_angle_gamma 89.99556000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.55829750\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47698870 0.14640041 0.23784791 1\n C C1 1 0.81070764 0.84261659 0.23793622 1\n C C2 1 0.64492331 0.37845293 0.46965421 1\n C C3 1 -0.02299111 1.07455282 0.77379468 1\n C C4 1 0.14474917 0.84245717 0.54181746 1\n C C5 1 0.31075108 0.37815778 0.77363623 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68996000\n_cell_length_b 2.45922000\n_cell_length_c 12.49073000\n_cell_angle_alpha 84.34284000\n_cell_angle_beta 84.83027000\n_cell_angle_gamma 109.49371000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 105.41057623\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49007085 -0.00640775 0.54164694 1\n C C1 1 0.29348995 0.61900423 0.10662181 1\n C C2 1 0.67042782 0.56234751 0.58542040 1\n C C3 1 -0.06788737 0.47758257 0.02837527 1\n C C4 1 0.91469675 0.53072335 0.91160442 1\n C C5 1 0.10279779 -0.00487633 0.16155056 1\n C C6 1 0.68134199 1.14818725 0.42296337 1\n C C7 1 0.75101756 0.85878027 0.08571662 1\n C C8 1 1.08930923 0.80565359 0.51402087 1\n C C9 1 0.86939781 0.03332358 0.86009098 1\n C C10 1 0.76210496 1.03229850 0.75236374 1\n C C11 1 0.71335819 0.53202905 0.70125369 1\n C C12 1 0.66011554 0.67323306 0.35334500 1\n C C13 1 0.25637193 0.48309302 0.32749125 1\n C C14 1 1.07639612 -0.08338363 0.28297463 1\n C C15 1 0.06859139 0.32954862 0.44515524 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23718000\n_cell_length_b 3.27228000\n_cell_length_c 3.27077000\n_cell_angle_alpha 99.12350000\n_cell_angle_beta 95.22023000\n_cell_angle_gamma 123.99166000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22005925\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05519352 0.48030414 0.96749382 1\n C C1 1 0.67382810 0.04385396 0.70084895 1\n C C2 1 0.29240955 0.93009309 0.75465572 1\n C C3 1 1.05534493 0.84157763 0.32894071 1\n C C4 1 0.29222538 0.29120287 0.11467268 1\n C C5 1 0.67366953 0.72710431 0.38366963 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46441000\n_cell_length_b 4.20059000\n_cell_length_c 7.09798000\n_cell_angle_alpha 65.59925000\n_cell_angle_beta 99.74484000\n_cell_angle_gamma 89.19671000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.66035716\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04300200 0.49075215 0.41932488 1\n C C1 1 0.78993907 0.32594362 0.77063934 1\n C C2 1 0.92899173 0.12124648 0.41763865 1\n C C3 1 0.32652010 0.44279263 0.85090995 1\n C C4 1 0.29874950 0.35703532 0.08254516 1\n C C5 1 0.53294925 0.54318892 0.53114934 1\n C C6 1 1.46789119 0.91479100 0.52809843 1\n C C7 1 1.23148144 0.72894560 0.07928606 1\n C C8 1 0.97477680 0.94541118 0.83982204 1\n C C9 1 -0.19259010 0.78118944 0.19114786 1\n C C10 1 0.43944852 0.82844512 0.75980649 1\n C C11 1 0.83959689 0.15064223 0.19309019 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45716000\n_cell_length_b 3.40039000\n_cell_length_c 5.87245000\n_cell_angle_alpha 115.82093000\n_cell_angle_beta 78.02483000\n_cell_angle_gamma 111.05116000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.14346913\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20302967 0.05289196 0.53258149 1\n C C1 1 0.80453533 0.12896589 0.40356046 1\n C C2 1 0.97024203 0.65299023 0.59637366 1\n C C3 1 0.34302958 0.79779512 1.00106533 1\n C C4 1 0.36951228 0.57721985 0.72483900 1\n C C5 1 0.83618751 0.91195826 0.12751966 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.79293000\n_cell_length_b 4.67683000\n_cell_length_c 4.32052000\n_cell_angle_alpha 125.14674000\n_cell_angle_beta 89.64664000\n_cell_angle_gamma 106.45391000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.88656181\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60967494 0.88451872 -0.10154554 1\n C C1 1 0.37147622 0.51761968 0.66744289 1\n C C2 1 0.92427266 0.51786734 0.21485574 1\n C C3 1 0.08531685 0.38952903 0.37743323 1\n C C4 1 0.36844162 0.20070075 0.66145384 1\n C C5 1 0.89849617 1.01277916 0.18652120 1\n C C6 1 0.05704609 0.88411120 0.35004438 1\n C C7 1 0.61267365 0.20117551 0.90394755 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44980000\n_cell_length_b 3.36454000\n_cell_length_c 8.19060000\n_cell_angle_alpha 99.87458000\n_cell_angle_beta 107.43708000\n_cell_angle_gamma 111.26228000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.96623843\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63183786 0.91004624 0.36558795 1\n C C1 1 1.01914355 0.40328917 0.50659164 1\n C C2 1 0.82935325 0.45229474 0.79285096 1\n C C3 1 0.55869845 0.30201546 0.59708427 1\n C C4 1 0.36743800 0.77311232 0.16990788 1\n C C5 1 0.17307836 0.80907358 0.45675812 1\n C C6 1 0.73727330 0.69796283 0.07803184 1\n C C7 1 0.46198873 0.53259086 0.88498725 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.76488000\n_cell_length_b 2.42547000\n_cell_length_c 6.62138000\n_cell_angle_alpha 98.59163000\n_cell_angle_beta 72.36734000\n_cell_angle_gamma 97.58867000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.73420598\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06716415 0.22731583 0.32424720 1\n C C1 1 0.56717676 0.72732355 0.07427229 1\n C C2 1 0.23440601 0.72678452 0.74043103 1\n C C3 1 1.06719955 0.22731517 0.82426045 1\n C C4 1 0.73440253 0.22679530 -0.00954985 1\n C C5 1 0.73439860 0.22679284 0.49042844 1\n C C6 1 0.23436489 0.72679150 0.24043525 1\n C C7 1 0.56719670 0.72732299 0.57425009 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41259000\n_cell_length_b 4.62046000\n_cell_length_c 5.52814000\n_cell_angle_alpha 114.91408000\n_cell_angle_beta 110.79847000\n_cell_angle_gamma 60.60314000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.65157351\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64784781 0.25372207 0.89111419 1\n C C1 1 0.89920312 0.44414593 0.36058020 1\n C C2 1 0.10979024 0.67180060 0.59194196 1\n C C3 1 0.57542512 0.44610491 0.71284403 1\n C C4 1 0.24127440 0.48189835 1.04371734 1\n C C5 1 0.77549363 0.70647451 0.92192850 1\n C C6 1 -0.17384762 0.20259559 0.45943158 1\n C C7 1 0.25016104 -0.10416671 0.52312889 1\n C C8 1 0.45217832 0.70907521 0.27471350 1\n C C9 1 1.10098254 0.25772034 0.11251179 1\n C C10 1 0.52472927 0.95005131 0.17519109 1\n C C11 1 0.70318383 -0.10020840 0.74464861 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43064000\n_cell_length_b 3.13236000\n_cell_length_c 8.91019000\n_cell_angle_alpha 112.14942000\n_cell_angle_beta 89.41618000\n_cell_angle_gamma 68.06440000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.37626183\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56701942 0.56137490 0.61201851 1\n C C1 1 0.98264430 0.72981720 0.69526915 1\n C C2 1 1.06609548 0.56364640 0.11165705 1\n C C3 1 0.81668783 0.06230695 0.86164813 1\n C C4 1 0.31730414 0.06048275 0.36210098 1\n C C5 1 0.73243215 0.23051068 0.44526468 1\n C C6 1 0.48191765 0.73154945 0.19487731 1\n C C7 1 0.23163503 0.23265275 0.94484629 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45103000\n_cell_length_b 6.20714000\n_cell_length_c 7.25064000\n_cell_angle_alpha 111.19718000\n_cell_angle_beta 99.93153000\n_cell_angle_gamma 101.39499000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 97.16325752\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63730747 0.57963294 0.39103771 1\n C C1 1 0.83355372 -0.00344485 0.35362193 1\n C C2 1 0.15495623 0.65445662 0.34246724 1\n C C3 1 0.78891856 0.16529559 0.09521386 1\n C C4 1 0.04669641 0.77057999 0.00705481 1\n C C5 1 0.62881288 0.30370817 0.63358994 1\n C C6 1 0.21146647 0.84506565 0.26227335 1\n C C7 1 0.57927365 0.88310538 0.96118934 1\n C C8 1 0.30961569 0.26012636 1.04206007 1\n C C9 1 0.34351317 0.41092910 0.95200067 1\n C C10 1 1.02401827 0.13466452 0.59203867 1\n C C11 1 0.48820294 0.90659001 -0.23796218 1\n C C12 1 -0.07259688 0.21944414 0.31989606 1\n C C13 1 1.00028669 -0.02352351 0.70744565 1\n C C14 1 0.84574375 0.48649076 0.88204256 1\n C C15 1 0.55206599 0.35799531 0.43211982 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38742000\n_cell_length_b 4.95915000\n_cell_length_c 8.43115000\n_cell_angle_alpha 123.36092000\n_cell_angle_beta 89.41146000\n_cell_angle_gamma 91.91463000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 118.22318263\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32615473 0.56603651 0.98892995 1\n C C1 1 0.49913693 -0.05413232 0.91017676 1\n C C2 1 -0.00680369 0.30824407 0.93094631 1\n C C3 1 0.51829376 0.71849123 0.17241689 1\n C C4 1 0.67747038 0.39592385 0.83409688 1\n C C5 1 0.55037839 0.50454358 0.23625110 1\n C C6 1 0.47593340 0.09130017 0.66535011 1\n C C7 1 1.00136825 0.96379973 0.40236416 1\n C C8 1 0.80275956 -0.04546170 0.24849875 1\n C C9 1 -0.13213382 0.65987447 0.38435124 1\n C C10 1 0.28096510 0.17247017 0.52955681 1\n C C11 1 0.74629138 0.22653386 0.06329584 1\n C C12 1 0.67842921 0.73120054 0.56148802 1\n C C13 1 1.20078508 0.41461004 0.31899501 1\n C C14 1 0.99426016 0.10487718 0.15859499 1\n C C15 1 0.31931625 0.47803255 0.51902734 1\n C C16 1 0.00202576 0.70536295 0.66901778 1\n C C17 1 0.83147370 0.68262735 0.82762685 1\n C C18 1 0.22826607 1.01673113 0.78706393 1\n C C19 1 0.17463422 0.82822564 0.97799439 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31791000\n_cell_length_b 3.31995000\n_cell_length_c 6.36207000\n_cell_angle_alpha 112.13193000\n_cell_angle_beta 92.58623000\n_cell_angle_gamma 101.04291000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.18211781\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11765226 0.48906855 0.68320780 1\n C C1 1 0.33656049 0.50871572 0.27113313 1\n C C2 1 0.56295854 0.83449810 0.47757366 1\n C C3 1 0.66188014 0.13130890 -0.09074065 1\n C C4 1 0.78779609 0.86764177 1.04567273 1\n C C5 1 0.89398429 0.16303519 0.47717788 1\n C C6 1 0.02522994 0.49339724 0.90896293 1\n C C7 1 0.42466427 0.50538245 0.04587374 1\n C C8 1 0.44208890 0.81399795 0.68325498 1\n C C9 1 1.01340078 0.18301503 0.27078149 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50763000\n_cell_length_b 4.77772000\n_cell_length_c 3.94640000\n_cell_angle_alpha 93.17789000\n_cell_angle_beta 79.94287000\n_cell_angle_gamma 98.28333000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.04642155\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39418951 0.20902039 0.98919965 1\n C C1 1 0.64583653 0.68309094 0.66406712 1\n C C2 1 0.45768955 0.71229693 0.03282631 1\n C C3 1 0.82890851 -0.03290950 0.47725663 1\n C C4 1 0.12036505 0.49717186 0.56375583 1\n C C5 1 0.30826176 0.46838041 0.19353464 1\n C C6 1 0.37291599 -0.02833382 0.23587869 1\n C C7 1 0.93920159 1.21381559 0.74868942 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23322000\n_cell_length_b 4.72753000\n_cell_length_c 4.79186000\n_cell_angle_alpha 81.24917000\n_cell_angle_beta 90.19678000\n_cell_angle_gamma 104.39492000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 91.74672066\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76927310 0.91963974 0.81411629 1\n C C1 1 0.43475603 0.91130597 0.81678909 1\n C C2 1 0.23099810 0.52704281 0.17673901 1\n C C3 1 -0.04945853 0.97358123 1.07563466 1\n C C4 1 0.24923516 0.85640826 0.08967509 1\n C C5 1 0.96986135 0.28650497 0.14023353 1\n C C6 1 0.92123828 0.85963750 0.58386973 1\n C C7 1 0.26232691 0.90806824 0.57565640 1\n C C8 1 0.66321775 0.28115676 0.23888994 1\n C C9 1 0.46263230 0.97561693 0.31111051 1\n C C10 1 0.53538262 0.51503171 0.27664076 1\n C C11 1 0.72582242 -0.19198071 0.32643780 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42968000\n_cell_length_b 2.43014000\n_cell_length_c 8.47715000\n_cell_angle_alpha 89.95835000\n_cell_angle_beta 97.76142000\n_cell_angle_gamma 120.02609000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.80821035\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59118560 0.22171348 0.67570523 1\n C C1 1 0.07740110 1.03875251 0.00965301 1\n C C2 1 0.41043533 0.70548105 1.00964662 1\n C C3 1 0.92484635 0.88860734 0.67619261 1\n C C4 1 0.36011701 0.14401702 0.34254911 1\n C C5 1 0.02678630 0.47743740 0.34258271 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.53457000\n_cell_length_b 6.59039000\n_cell_length_c 5.19669000\n_cell_angle_alpha 146.66272000\n_cell_angle_beta 63.66262000\n_cell_angle_gamma 134.49726000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.23459251\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83917245 0.27561487 0.36717659 1\n C C1 1 0.14447129 0.92788041 0.71234614 1\n C C2 1 0.33840417 0.71567173 0.30742991 1\n C C3 1 0.64556037 0.86919291 0.15371564 1\n C C4 1 1.14677494 0.31048169 0.09533759 1\n C C5 1 -0.16091321 0.65678569 -0.25147447 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47755000\n_cell_length_b 2.47815000\n_cell_length_c 6.31069000\n_cell_angle_alpha 89.99662000\n_cell_angle_beta 101.31370000\n_cell_angle_gamma 59.96966000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67192714\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54335302 1.00946676 0.70336141 1\n C C1 1 0.65194376 0.45636101 0.36789426 1\n C C2 1 1.09805460 0.23181144 1.03415007 1\n C C3 1 0.48591335 0.53860055 0.11702057 1\n C C4 1 0.93327644 0.31412072 0.78700790 1\n C C5 1 0.37468962 0.09478922 0.45212790 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51176000\n_cell_length_b 4.20539000\n_cell_length_c 7.55860000\n_cell_angle_alpha 106.17543000\n_cell_angle_beta 109.27216000\n_cell_angle_gamma 89.91867000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.02149868\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96476332 0.73922257 0.70299238 1\n C C1 1 0.36105935 0.45846589 0.09119941 1\n C C2 1 0.15777882 0.95965169 0.39506416 1\n C C3 1 0.36109752 0.78247858 0.09121150 1\n C C4 1 0.18995322 0.19771683 0.92182164 1\n C C5 1 0.55118633 0.40395498 0.28767144 1\n C C6 1 -0.03493702 0.11322989 0.70293901 1\n C C7 1 0.36759841 0.56092818 0.60480677 1\n C C8 1 0.15754469 0.58575432 0.39509000 1\n C C9 1 0.18952083 0.87383029 0.92184899 1\n C C10 1 0.55136878 1.03356095 0.28765089 1\n C C11 1 0.36774376 0.19377624 0.60474151 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43016000\n_cell_length_b 2.42971000\n_cell_length_c 8.50988000\n_cell_angle_alpha 99.21442000\n_cell_angle_beta 90.42609000\n_cell_angle_gamma 120.01467000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.72173469\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94805372 0.39738368 0.84739798 1\n C C1 1 0.46166944 0.46586896 0.51593548 1\n C C2 1 0.79183479 0.02297053 0.17908816 1\n C C3 1 1.12803576 0.79887720 0.51589318 1\n C C4 1 -0.38506461 0.73099403 -0.15259531 1\n C C5 1 0.45854230 0.35653110 0.17977011 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45075000\n_cell_length_b 5.57069000\n_cell_length_c 6.44660000\n_cell_angle_alpha 81.03817000\n_cell_angle_beta 79.01670000\n_cell_angle_gamma 89.99821000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.30460220\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20227542 1.00717523 0.93041747 1\n C C1 1 0.52878242 0.00206467 0.27746014 1\n C C2 1 0.17794907 0.72767409 0.98052223 1\n C C3 1 1.06480829 0.37254372 0.19928365 1\n C C4 1 0.63539610 0.35721807 1.05903130 1\n C C5 1 0.38525005 0.63892161 0.56205470 1\n C C6 1 0.05367974 0.63720417 0.22490521 1\n C C7 1 0.50298486 0.72314377 0.32736264 1\n C C8 1 0.98947113 0.12673304 0.35398605 1\n C C9 1 -0.16760175 0.61428959 0.66891299 1\n C C10 1 0.71527726 0.60364357 0.90419697 1\n C C11 1 0.87244365 0.11629495 0.58908483 1\n C C12 1 0.31851447 0.09231879 0.69621414 1\n C C13 1 0.64952538 0.09278624 1.03359957 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48770000\n_cell_length_b 4.30540000\n_cell_length_c 8.96266000\n_cell_angle_alpha 76.09926000\n_cell_angle_beta 82.01997000\n_cell_angle_gamma 54.70237000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 76.05285987\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44231189 0.38388208 0.24878911 1\n C C1 1 0.69238359 0.63369665 0.24878623 1\n C C2 1 0.69291643 0.77691312 0.96305600 1\n C C3 1 0.69231706 0.06214513 0.39130014 1\n C C4 1 -0.55731204 1.09852231 0.81990537 1\n C C5 1 0.69239412 -0.08039955 0.67721547 1\n C C6 1 0.44239612 -0.04405901 0.10551424 1\n C C7 1 0.44211295 0.81240591 0.39131609 1\n C C8 1 0.44270277 0.52717227 0.96304693 1\n C C9 1 0.44181225 0.24107158 0.53436447 1\n C C10 1 0.69275082 0.34837574 0.81990026 1\n C C11 1 0.44219389 0.66991360 0.67720542 1\n C C12 1 0.69186394 0.49097863 0.53437378 1\n C C13 1 0.69252840 0.20575415 0.10548381 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.58079000\n_cell_length_b 3.28644000\n_cell_length_c 4.14940000\n_cell_angle_alpha 102.72403000\n_cell_angle_beta 64.72534000\n_cell_angle_gamma 71.44937000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.71407973\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68763642 0.35944055 0.48178824 1\n C C1 1 0.86248098 0.52449540 0.17040276 1\n C C2 1 0.99962470 0.04757490 -0.14169375 1\n C C3 1 0.17335689 0.55781807 0.17004478 1\n C C4 1 0.34850249 0.72222131 0.85817499 1\n C C5 1 1.03666245 0.03396422 0.48176834 1\n C C6 1 0.68559836 0.98351432 0.17002307 1\n C C7 1 0.35030951 0.09838622 0.16981766 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.56966000\n_cell_length_b 3.99839000\n_cell_length_c 4.12510000\n_cell_angle_alpha 87.05060000\n_cell_angle_beta 91.04969000\n_cell_angle_gamma 107.04928000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.96267638\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30763994 0.74979427 0.76388800 1\n C C1 1 0.10467073 0.32320719 0.33062986 1\n C C2 1 0.78362525 0.33333560 0.34342917 1\n C C3 1 0.33694674 0.52462278 0.52988527 1\n C C4 1 0.55179327 0.13068319 1.14607742 1\n C C5 1 0.66095811 0.53540942 0.54082821 1\n C C6 1 0.58221769 0.90185730 0.91711706 1\n C C7 1 0.09153484 0.88069911 0.88959191 1\n C C8 1 0.79891141 0.77624734 -0.21679448 1\n C C9 1 0.22760571 0.12126309 0.13268807 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23522000\n_cell_length_b 3.63099000\n_cell_length_c 3.27073000\n_cell_angle_alpha 104.52792000\n_cell_angle_beta 84.71147000\n_cell_angle_gamma 131.57206000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.23330964\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26798399 0.35418853 0.95220704 1\n C C1 1 0.05540475 0.90448858 0.16362523 1\n C C2 1 0.41643305 0.26490459 0.52537946 1\n C C3 1 0.68324722 0.15063770 0.58131902 1\n C C4 1 0.00037871 0.46798261 0.89752454 1\n C C5 1 0.62918628 0.71467348 0.31283921 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48142000\n_cell_length_b 4.21996000\n_cell_length_c 3.68760000\n_cell_angle_alpha 75.00711000\n_cell_angle_beta 70.36742000\n_cell_angle_gamma 89.91381000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97659869\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10622102 0.23825258 0.91938287 1\n C C1 1 0.35306398 0.73389047 0.00833873 1\n C C2 1 0.47236540 0.10780294 0.76215830 1\n C C3 1 0.93142635 0.60331764 0.85144592 1\n C C4 1 0.15178789 0.80988572 0.40586339 1\n C C5 1 0.67209800 0.03182955 0.36485739 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49958000\n_cell_length_b 4.26001000\n_cell_length_c 4.84123000\n_cell_angle_alpha 111.43596000\n_cell_angle_beta 90.03619000\n_cell_angle_gamma 90.00379000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.98462062\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39367181 0.38881934 0.26275264 1\n C C1 1 0.39404773 0.81560730 0.68250801 1\n C C2 1 0.39344215 0.77028371 0.34246788 1\n C C3 1 0.89346431 0.18416750 0.13695236 1\n C C4 1 0.89348722 0.95399041 0.31555474 1\n C C5 1 0.89417658 0.02042643 0.80810476 1\n C C6 1 0.89463271 0.24949949 0.62840821 1\n C C7 1 0.39456501 0.43381952 0.60234910 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49461000\n_cell_length_b 3.42193000\n_cell_length_c 6.35002000\n_cell_angle_alpha 89.96153000\n_cell_angle_beta 89.99536000\n_cell_angle_gamma 111.36266000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.48185196\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.29583906 0.75757463 0.26276146 1\n C C1 1 0.70973995 0.58592918 0.60249810 1\n C C2 1 0.89819910 0.96540331 0.76272455 1\n C C3 1 -0.10177140 -0.03554633 -0.00370038 1\n C C4 1 0.48516256 0.13893714 0.65717309 1\n C C5 1 0.48473832 0.13730825 0.10242622 1\n C C6 1 0.70953292 0.58419055 0.15727833 1\n C C7 1 0.29620609 0.75892188 0.49633353 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.83459000\n_cell_length_b 6.00367000\n_cell_length_c 7.94445000\n_cell_angle_alpha 52.64909000\n_cell_angle_beta 89.06029000\n_cell_angle_gamma 75.77888000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 175.03426710\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82009498 0.99643005 0.71402141 1\n C C1 1 0.68225170 0.51865766 0.67174870 1\n C C2 1 0.64295106 0.74072246 0.23810958 1\n C C3 1 0.31447854 0.41818980 0.87320456 1\n C C4 1 0.00096876 0.27269551 0.17589370 1\n C C5 1 0.20018230 0.51902031 0.67102209 1\n C C6 1 0.79401001 0.10471917 0.50369091 1\n C C7 1 0.39671963 0.69254585 0.33297408 1\n C C8 1 1.00862888 0.84166741 1.03600980 1\n C C9 1 0.31923739 -0.01129801 0.73325355 1\n C C10 1 0.92807653 0.56814685 0.57645156 1\n C C11 1 0.59178762 -0.06319893 0.83284235 1\n C C12 1 0.49960617 0.26443203 0.19497154 1\n C C13 1 0.61434828 0.41539972 0.87526445 1\n C C14 1 0.42585896 0.58148373 0.54731848 1\n C C15 1 0.02962514 0.16066448 0.39513370 1\n C C16 1 0.89920117 0.67893031 0.36209440 1\n C C17 1 0.52512112 0.15638877 0.40532624 1\n C C18 1 0.12400375 0.74196937 0.23790380 1\n C C19 1 0.28941530 0.10079967 0.51384306 1\n C C20 1 0.70838628 0.84408193 1.03441814 1\n C C21 1 0.24339345 0.32238335 0.07493266 1\n C C22 1 0.72943849 0.32258872 0.07710036 1\n C C23 1 1.07657119 -0.06099480 0.83355160 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48067000\n_cell_length_b 6.00220000\n_cell_length_c 5.03885000\n_cell_angle_alpha 119.58578000\n_cell_angle_beta 89.97912000\n_cell_angle_gamma 114.42082000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.40602103\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49119707 0.29346037 1.08021253 1\n C C1 1 0.10993971 0.41040587 0.77912369 1\n C C2 1 0.98887576 0.29109010 0.24891205 1\n C C3 1 0.71094203 0.51182676 0.98236715 1\n C C4 1 0.21841286 1.02005492 0.72321544 1\n C C5 1 0.02777311 0.82800474 0.08080934 1\n C C6 1 0.25100020 0.55197911 0.59371773 1\n C C7 1 0.94434418 0.74503520 0.72327801 1\n C C8 1 0.78256710 1.08368044 0.59405179 1\n C C9 1 0.69863029 -0.00093862 0.24941726 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44619000\n_cell_length_b 5.69502000\n_cell_length_c 6.32768000\n_cell_angle_alpha 67.39997000\n_cell_angle_beta 81.53778000\n_cell_angle_gamma 84.99146000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.45073232\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90624767 0.39714519 0.16928856 1\n C C1 1 0.55248937 0.02861534 0.23378619 1\n C C2 1 1.05712196 -0.00425377 0.78050479 1\n C C3 1 0.56740528 0.66418161 0.68343816 1\n C C4 1 0.20715180 0.44422707 0.48931613 1\n C C5 1 0.54364639 0.37015708 0.83378774 1\n C C6 1 0.77180188 0.42792899 0.36818687 1\n C C7 1 0.47013534 0.31206424 0.08716864 1\n C C8 1 0.10722136 0.68863549 0.53349351 1\n C C9 1 0.08589226 0.26898145 0.75291903 1\n C C10 1 1.06299818 -0.08379211 0.32186684 1\n C C11 1 0.56667023 0.87828309 0.76994993 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.76391000\n_cell_length_b 5.60921000\n_cell_length_c 6.35544000\n_cell_angle_alpha 75.14616000\n_cell_angle_beta 78.80458000\n_cell_angle_gamma 88.54883000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 127.18540926\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58542509 0.19659635 0.98316489 1\n C C1 1 0.09052148 0.93446998 1.00603355 1\n C C2 1 0.09386387 0.05248610 0.33676916 1\n C C3 1 0.96630134 0.83196728 0.26616733 1\n C C4 1 0.60336199 0.74122820 0.73153599 1\n C C5 1 0.48251485 0.62229888 0.19317781 1\n C C6 1 0.75532327 0.21255827 0.31937998 1\n C C7 1 0.08890634 0.56450051 0.29749217 1\n C C8 1 0.48552774 0.08589938 0.23294751 1\n C C9 1 0.22954226 0.20882168 0.89787995 1\n C C10 1 0.45182072 0.78297744 0.96853701 1\n C C11 1 0.94195195 0.57597140 0.70767577 1\n C C12 1 0.66625843 0.23725061 0.54993623 1\n C C13 1 0.27326207 0.23239015 0.63552931 1\n C C14 1 0.14687537 1.00132727 0.57194085 1\n C C15 1 0.56712174 0.80704182 0.32399909 1\n C C16 1 0.83206015 0.46129254 0.16914227 1\n C C17 1 0.98187425 0.41685860 0.54606973 1\n C C18 1 0.78192317 -0.00662955 0.68202343 1\n C C19 1 0.32452931 0.75614010 0.59428491 1\n C C20 1 -0.08168816 0.38940869 -0.06151107 1\n C C21 1 0.74718977 0.97570019 0.91549242 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.86286000\n_cell_length_b 4.01913000\n_cell_length_c 4.74949000\n_cell_angle_alpha 123.36558000\n_cell_angle_beta 96.09496000\n_cell_angle_gamma 103.98671000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.09793636\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16672089 0.67333639 0.44250438 1\n C C1 1 -0.08167353 0.58874540 0.61016468 1\n C C2 1 0.91670031 0.92330402 0.94249939 1\n C C3 1 0.16825553 0.33872201 0.11012857 1\n C C4 1 0.66825581 0.83872537 0.11013661 1\n C C5 1 0.41672335 0.42333760 -0.05749661 1\n C C6 1 0.41835255 0.08876180 0.61016060 1\n C C7 1 0.66672008 0.17332272 0.44249868 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48573000\n_cell_length_b 4.00337000\n_cell_length_c 7.32610000\n_cell_angle_alpha 122.95736000\n_cell_angle_beta 99.74825000\n_cell_angle_gamma 90.00660000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.91277630\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41041770 0.65515101 0.42149820 1\n C C1 1 -0.14096043 0.05056744 0.31754347 1\n C C2 1 0.40991216 0.28346131 0.42082081 1\n C C3 1 0.53282661 1.01762214 0.66057900 1\n C C4 1 1.09817857 0.04096242 0.79061388 1\n C C5 1 1.09772423 0.63498981 0.79007645 1\n C C6 1 0.85949238 0.68185320 0.31795598 1\n C C7 1 0.75317343 0.65197740 0.10313022 1\n C C8 1 0.18692698 0.51674396 0.96886306 1\n C C9 1 0.53229338 0.39880040 0.65995074 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47893000\n_cell_length_b 4.81200000\n_cell_length_c 6.07468000\n_cell_angle_alpha 80.03239000\n_cell_angle_beta 90.01008000\n_cell_angle_gamma 58.99013000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.82498681\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44673484 0.06968285 0.65766060 1\n C C1 1 0.10036857 0.91615586 0.99468329 1\n C C2 1 0.15507492 0.86070050 0.64766524 1\n C C3 1 1.02751867 0.48927971 0.22155719 1\n C C4 1 0.40289760 0.11282723 0.91329761 1\n C C5 1 1.07694635 0.94031380 0.38713001 1\n C C6 1 0.31041586 0.70578754 0.22939072 1\n C C7 1 0.38253703 0.63221505 0.86934498 1\n C C8 1 0.06594633 0.44877500 0.96086732 1\n C C9 1 0.35745583 0.16053256 0.38314723 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48802000\n_cell_length_b 4.30505000\n_cell_length_c 4.30513000\n_cell_angle_alpha 70.52193000\n_cell_angle_beta 90.01593000\n_cell_angle_gamma 89.98894000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47340731\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37883468 0.21166317 0.16101043 1\n C C1 1 -0.12116268 0.08656131 0.03606398 1\n C C2 1 0.37905272 0.58665013 1.03556968 1\n C C3 1 0.87908019 0.71159186 0.16067679 1\n C C4 1 0.37892890 0.08648659 0.53598720 1\n C C5 1 0.37917177 0.71151714 0.66060001 1\n C C6 1 0.87917441 0.58641528 0.53565356 1\n C C7 1 0.87895637 0.21142832 0.66109430 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.01080000\n_cell_length_b 4.81654000\n_cell_length_c 4.84928000\n_cell_angle_alpha 120.13731000\n_cell_angle_beta 90.14714000\n_cell_angle_gamma 107.44155000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.01340421\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44092132 0.41042973 0.52360336 1\n C C1 1 -0.05696143 0.91002895 0.02342203 1\n C C2 1 0.10600924 1.07752458 0.35713338 1\n C C3 1 0.60742580 0.57728024 0.85706967 1\n C C4 1 0.44091681 0.41042653 0.02360506 1\n C C5 1 0.94304526 0.91002865 0.52341917 1\n C C6 1 0.60737989 0.57729703 0.35707526 1\n C C7 1 0.10600921 1.07752109 0.85713447 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.69197000\n_cell_length_b 4.26485000\n_cell_length_c 4.87546000\n_cell_angle_alpha 121.76726000\n_cell_angle_beta 122.23864000\n_cell_angle_gamma 84.15068000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.46904139\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51640498 0.92690980 0.70815110 1\n C C1 1 0.06236477 0.65514196 0.44074252 1\n C C2 1 0.26919303 1.06727407 0.09501594 1\n C C3 1 0.67699630 -0.00562202 0.10561832 1\n C C4 1 0.13120274 0.26699651 0.37344579 1\n C C5 1 0.73287910 0.62597922 0.07303283 1\n C C6 1 0.46098790 0.29523520 0.74071161 1\n C C7 1 0.92372258 0.85484116 0.71865430 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45433000\n_cell_length_b 5.59382000\n_cell_length_c 6.56459000\n_cell_angle_alpha 114.95098000\n_cell_angle_beta 90.00841000\n_cell_angle_gamma 90.06830000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.71417715\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54217781 0.52101057 0.91486074 1\n C C1 1 1.04136970 0.14086434 0.93193007 1\n C C2 1 0.54035864 0.48573495 0.47004843 1\n C C3 1 1.04257304 0.68135679 0.94001038 1\n C C4 1 1.04031963 0.14881384 0.16324545 1\n C C5 1 0.04249201 0.90076842 0.38440940 1\n C C6 1 0.54172451 0.76336150 0.64164961 1\n C C7 1 0.54230933 0.88403977 0.47835537 1\n C C8 1 0.54163558 0.27629076 0.90619372 1\n C C9 1 0.03981612 0.37813321 0.37502718 1\n C C10 1 0.04251178 0.90943249 0.16786957 1\n C C11 1 0.04199414 0.83438886 0.78555148 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47781000\n_cell_length_b 2.47746000\n_cell_length_c 6.31018000\n_cell_angle_alpha 101.33027000\n_cell_angle_beta 90.01737000\n_cell_angle_gamma 59.96925000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.66255144\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19793604 0.59532915 0.37219583 1\n C C1 1 0.97467071 0.04147131 0.03832530 1\n C C2 1 1.05729521 0.87586500 0.79096027 1\n C C3 1 0.75222404 0.48576746 0.70715799 1\n C C4 1 0.83665823 0.31741942 0.45611713 1\n C C5 1 0.28071648 0.42987796 0.12129429 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35171000\n_cell_length_b 4.58231000\n_cell_length_c 3.40741000\n_cell_angle_alpha 91.08761000\n_cell_angle_beta 87.97313000\n_cell_angle_gamma 111.69075000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.59597282\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84040598 0.73675124 1.00051781 1\n C C1 1 0.35306014 0.76177611 0.50074627 1\n C C2 1 -0.05847307 0.23643057 0.64514744 1\n C C3 1 0.28128084 0.95093130 0.16865078 1\n C C4 1 0.23919110 0.23557566 0.35821002 1\n C C5 1 0.58225320 0.55645106 0.34604870 1\n C C6 1 0.61552702 0.95129749 0.83609873 1\n C C7 1 0.91794420 0.55615607 0.65339985 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50094000\n_cell_length_b 4.83504000\n_cell_length_c 5.93023000\n_cell_angle_alpha 90.01859000\n_cell_angle_beta 102.10083000\n_cell_angle_gamma 90.00823000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.11583125\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61452047 0.97610244 0.67413399 1\n C C1 1 0.18264265 0.90287983 0.80991806 1\n C C2 1 0.61454610 0.31152387 0.67416384 1\n C C3 1 0.90936419 0.38509418 0.27489404 1\n C C4 1 0.47671659 0.97584709 0.41077633 1\n C C5 1 0.47683181 0.31209825 0.41078243 1\n C C6 1 0.18260689 0.38430424 0.80995754 1\n C C7 1 0.90926507 0.90261865 0.27495489 1\n C C8 1 0.25644798 0.64372315 0.95956567 1\n C C9 1 -0.16356732 0.64386711 0.12267627 1\n C C10 1 0.26258567 1.14369187 0.97320647 1\n C C11 1 0.83085228 0.14384331 0.11252967 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48071000\n_cell_length_b 3.68757000\n_cell_length_c 4.83402000\n_cell_angle_alpha 57.53227000\n_cell_angle_beta 104.90175000\n_cell_angle_gamma 109.68371000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96597540\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27810821 -0.14585135 0.52877310 1\n C C1 1 0.73027134 0.26906100 1.02433513 1\n C C2 1 0.15198875 0.98167225 0.15509814 1\n C C3 1 0.95457496 0.50874085 0.23101533 1\n C C4 1 0.69962403 0.56677240 0.65945600 1\n C C5 1 0.47441621 0.32695945 0.45263759 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45410000\n_cell_length_b 4.59306000\n_cell_length_c 5.35940000\n_cell_angle_alpha 95.55804000\n_cell_angle_beta 89.94282000\n_cell_angle_gamma 105.57106000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.89979410\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71467356 0.01480256 0.48214200 1\n C C1 1 1.07464589 0.73600148 0.14844040 1\n C C2 1 0.79592369 0.17282187 -0.03167478 1\n C C3 1 0.45463004 0.49144918 0.49088102 1\n C C4 1 0.51473783 0.60697451 0.76086190 1\n C C5 1 0.68433413 0.94605159 0.74159699 1\n C C6 1 0.56487935 0.71868187 0.31455612 1\n C C7 1 0.29784135 0.17972587 0.39672153 1\n C C8 1 0.25261382 0.08781671 0.11490189 1\n C C9 1 -0.03284894 0.51624006 0.91121113 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47525000\n_cell_length_b 3.72187000\n_cell_length_c 4.24777000\n_cell_angle_alpha 64.03289000\n_cell_angle_beta 90.00903000\n_cell_angle_gamma 90.00486000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18219633\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74578846 0.27501174 -0.01262259 1\n C C1 1 0.24586664 0.22956429 0.48784278 1\n C C2 1 0.24540264 0.82062697 0.48834310 1\n C C3 1 0.24580187 0.38592194 0.76617274 1\n C C4 1 -0.25427091 0.43181649 0.26548452 1\n C C5 1 0.74510659 0.84059667 0.26525175 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48089000\n_cell_length_b 3.68831000\n_cell_length_c 4.21795000\n_cell_angle_alpha 104.80375000\n_cell_angle_beta 89.94322000\n_cell_angle_gamma 109.62674000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99358758\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40681936 0.77769813 0.10137950 1\n C C1 1 0.44502505 0.84860674 0.46670283 1\n C C2 1 0.66738889 0.29383565 0.67299004 1\n C C3 1 -0.01495501 0.93412580 0.97028950 1\n C C4 1 0.18707219 0.33236049 0.89493538 1\n C C5 1 0.86639583 0.69155580 0.59758055 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25256000\n_cell_length_b 4.90544000\n_cell_length_c 4.23738000\n_cell_angle_alpha 90.42311000\n_cell_angle_beta 124.77065000\n_cell_angle_gamma 110.84730000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.91426026\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47779192 0.99564579 0.19899670 1\n C C1 1 -0.38556407 0.02605388 0.59541877 1\n C C2 1 0.67452206 0.28861511 0.11598320 1\n C C3 1 0.65426282 0.27778215 0.77554777 1\n C C4 1 0.71561843 0.54069103 0.29649289 1\n C C5 1 0.85168988 0.57077423 0.69286915 1\n C C6 1 0.52281526 0.73681230 1.04014174 1\n C C7 1 0.80668270 0.82963521 0.85151259 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.66197000\n_cell_length_b 2.41841000\n_cell_length_c 10.90466000\n_cell_angle_alpha 102.17047000\n_cell_angle_beta 101.95784000\n_cell_angle_gamma 91.01902000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.99559643\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71584530 0.84567951 0.04357942 1\n C C1 1 -0.18450095 0.40878192 0.10911470 1\n C C2 1 -0.13587350 0.48409045 0.69998123 1\n C C3 1 0.16496291 0.10348082 0.30671826 1\n C C4 1 0.56726391 0.70177242 0.90318653 1\n C C5 1 0.54104519 0.79089350 0.50166625 1\n C C6 1 0.04171512 0.54016761 0.24189567 1\n C C7 1 0.42014466 0.22730388 0.43649290 1\n C C8 1 0.01550314 0.62915410 0.84029554 1\n C C9 1 0.76533412 -0.07898070 0.63453680 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52307000\n_cell_length_b 4.96855000\n_cell_length_c 4.66470000\n_cell_angle_alpha 96.13366000\n_cell_angle_beta 90.02536000\n_cell_angle_gamma 89.94786000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.14189023\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.14510213 0.19117230 0.98635271 1\n C C1 1 0.14460264 0.60956996 0.88071654 1\n C C2 1 0.14457550 0.47476044 0.15739815 1\n C C3 1 0.64461043 0.28632462 0.52938754 1\n C C4 1 0.64392525 0.51665188 0.33786620 1\n C C5 1 0.14508860 0.32704295 0.70979229 1\n C C6 1 0.64341270 0.79315888 0.50538103 1\n C C7 1 0.64375116 1.01040694 0.36225166 1\n C C8 1 0.64452349 0.02944071 1.03825446 1\n C C9 1 0.64391070 0.77127652 0.82868221 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48308000\n_cell_length_b 3.84046000\n_cell_length_c 3.74955000\n_cell_angle_alpha 90.04138000\n_cell_angle_beta 90.01843000\n_cell_angle_gamma 90.00099000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.75633286\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83586470 0.45303392 0.86215227 1\n C C1 1 0.83603179 0.74738849 0.59441396 1\n C C2 1 0.83585957 1.04197519 0.86242008 1\n C C3 1 0.33583686 0.74766704 0.36586749 1\n C C4 1 0.33597053 0.04217901 0.09817612 1\n C C5 1 0.33599316 0.45323995 0.09783507 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46188000\n_cell_length_b 3.39989000\n_cell_length_c 5.30204000\n_cell_angle_alpha 94.70898000\n_cell_angle_beta 90.00657000\n_cell_angle_gamma 68.71967000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.19215503\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84155771 0.39329780 0.95675713 1\n C C1 1 1.01901838 0.04006614 0.15300229 1\n C C2 1 0.87297930 0.32762072 0.68131910 1\n C C3 1 0.38620694 0.29992897 0.55431981 1\n C C4 1 0.42209309 0.23304194 0.27870102 1\n C C5 1 0.24540368 0.58468373 0.08379895 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33061000\n_cell_length_b 4.97621000\n_cell_length_c 4.88993000\n_cell_angle_alpha 51.93240000\n_cell_angle_beta 76.08091000\n_cell_angle_gamma 77.62520000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.70039194\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37827494 0.15227339 0.91166601 1\n C C1 1 0.03141586 0.91192939 0.68355074 1\n C C2 1 0.76010039 0.67789953 0.45973920 1\n C C3 1 0.14179150 0.88561721 0.96910635 1\n C C4 1 0.73468220 0.02367366 0.10821329 1\n C C5 1 0.16500232 0.53995543 0.32105277 1\n C C6 1 0.96210460 0.29530088 0.05010031 1\n C C7 1 0.52285047 0.41137070 0.51710932 1\n C C8 1 0.93881721 0.26815775 0.37899814 1\n C C9 1 -0.13346420 0.65139816 0.74663996 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48271000\n_cell_length_b 3.79690000\n_cell_length_c 5.94395000\n_cell_angle_alpha 83.75971000\n_cell_angle_beta 101.99018000\n_cell_angle_gamma 90.27382000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.47494072\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51599025 0.62020650 0.23080579 1\n C C1 1 0.83766012 0.54245559 0.87677691 1\n C C2 1 0.60767020 0.29767210 0.41264895 1\n C C3 1 0.17965675 0.85940255 0.55832090 1\n C C4 1 0.18338416 0.26990303 0.56511518 1\n C C5 1 0.60426798 0.88674477 0.40618618 1\n C C6 1 0.27014981 0.53657837 0.74038377 1\n C C7 1 -0.05249316 0.61527309 0.09414172 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53253000\n_cell_length_b 3.76887000\n_cell_length_c 5.05278000\n_cell_angle_alpha 90.03515000\n_cell_angle_beta 90.03917000\n_cell_angle_gamma 90.02821000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.22762880\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39621800 1.05705156 0.46806542 1\n C C1 1 0.39608396 0.66866543 0.46787130 1\n C C2 1 0.39635192 0.54010427 0.19147615 1\n C C3 1 0.89650619 0.56216214 0.62744401 1\n C C4 1 0.89711006 0.86223433 0.83683902 1\n C C5 1 0.39652181 0.18444337 0.19157414 1\n C C6 1 0.39715260 0.86204173 0.00739883 1\n C C7 1 0.89665075 0.16352337 0.62779764 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45206000\n_cell_length_b 7.62907000\n_cell_length_c 9.64874000\n_cell_angle_alpha 129.20659000\n_cell_angle_beta 104.78802000\n_cell_angle_gamma 80.73763000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 135.23036427\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19859263 0.89155312 0.64761803 1\n C C1 1 0.87696369 0.40354506 0.58293227 1\n C C2 1 0.34654801 0.52992249 0.61520075 1\n C C3 1 0.53704102 0.16208363 0.62267129 1\n C C4 1 0.19235462 0.76281883 0.07517870 1\n C C5 1 0.33709286 0.00647471 0.84699244 1\n C C6 1 0.61423814 0.56799660 0.40207177 1\n C C7 1 0.99300143 0.26133949 0.13116335 1\n C C8 1 0.91016620 0.75844158 0.29486735 1\n C C9 1 0.54237920 0.34842186 0.22361690 1\n C C10 1 0.19902059 0.63110443 0.51777385 1\n C C11 1 0.49192974 0.75522571 0.37560455 1\n C C12 1 -0.23109209 0.76766758 0.15417854 1\n C C13 1 0.88399006 0.09990230 0.94132875 1\n C C14 1 0.61379390 -0.04856415 0.59265674 1\n C C15 1 0.04285142 0.72889554 0.91302720 1\n C C16 1 0.46508509 0.71091318 0.82674592 1\n C C17 1 -0.01875892 0.24229293 0.60848340 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51113000\n_cell_length_b 4.97328000\n_cell_length_c 5.93567000\n_cell_angle_alpha 88.20013000\n_cell_angle_beta 77.50902000\n_cell_angle_gamma 89.53630000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.33755324\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25074814 0.74485837 0.49053223 1\n C C1 1 0.39371730 0.04606375 0.12895748 1\n C C2 1 0.15235356 0.02801016 0.55401798 1\n C C3 1 0.38568238 0.75414851 0.21303297 1\n C C4 1 0.65076731 0.42630440 0.78064685 1\n C C5 1 0.05523923 0.43394660 0.93569397 1\n C C6 1 1.28260219 0.21497497 0.34867711 1\n C C7 1 0.89178406 0.13656979 0.74911025 1\n C C8 1 -0.20379058 0.38777862 0.35351897 1\n C C9 1 0.92143588 0.59494112 0.15426713 1\n C C10 1 0.95142413 0.12604783 0.99510069 1\n C C11 1 0.72035380 0.58050378 0.55233667 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48344000\n_cell_length_b 3.82561000\n_cell_length_c 5.22918000\n_cell_angle_alpha 81.04526000\n_cell_angle_beta 89.99048000\n_cell_angle_gamma 71.02917000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.34195284\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47672483 0.47441340 0.39471534 1\n C C1 1 0.26414774 0.90226346 0.33910167 1\n C C2 1 0.22669556 0.97576543 0.61775504 1\n C C3 1 0.60033563 0.22961755 0.94561159 1\n C C4 1 0.65185899 0.12494493 0.23281924 1\n C C5 1 0.98785289 0.45269384 0.83906059 1\n C C6 1 0.77506475 0.88041725 0.78327879 1\n C C7 1 0.02510992 0.37901204 0.56024793 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47439000\n_cell_length_b 4.80363000\n_cell_length_c 4.28117000\n_cell_angle_alpha 63.51696000\n_cell_angle_beta 90.00486000\n_cell_angle_gamma 75.08586000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.62241356\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03216193 0.13446579 0.66927881 1\n C C1 1 0.78194249 0.63446718 0.75261020 1\n C C2 1 0.21859919 0.76042200 0.85611222 1\n C C3 1 0.53200191 1.13445985 0.16926629 1\n C C4 1 0.46855811 0.26041489 0.43955259 1\n C C5 1 0.71841257 0.76042325 0.35610988 1\n C C6 1 0.28188289 0.63444214 0.25262642 1\n C C7 1 0.96844220 0.26043620 0.93953249 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48128000\n_cell_length_b 3.73749000\n_cell_length_c 4.57921000\n_cell_angle_alpha 90.04467000\n_cell_angle_beta 122.82135000\n_cell_angle_gamma 89.99729000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.68732496\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22235736 0.62092303 0.48014572 1\n C C1 1 0.01808188 0.11711637 0.77561070 1\n C C2 1 0.31206036 0.38366448 0.07051784 1\n C C3 1 0.72200834 0.38304301 0.47979851 1\n C C4 1 0.81242296 0.62130677 1.07087867 1\n C C5 1 0.51835261 0.88740953 0.77588038 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45790000\n_cell_length_b 5.20065000\n_cell_length_c 8.17335000\n_cell_angle_alpha 54.94263000\n_cell_angle_beta 90.00013000\n_cell_angle_gamma 90.00206000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.52274613\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25261190 0.24740074 0.78405103 1\n C C1 1 0.75237406 0.15161845 0.06749287 1\n C C2 1 0.75254072 0.34249025 0.84074759 1\n C C3 1 0.25243361 0.65210177 0.90217250 1\n C C4 1 0.75250546 0.66451637 0.79038983 1\n C C5 1 0.25354378 0.00753472 0.47433337 1\n C C6 1 0.25347315 0.31358525 0.27408072 1\n C C7 1 0.25243036 0.29090270 0.09831053 1\n C C8 1 0.25301827 0.39223053 0.56649201 1\n C C9 1 0.25274393 0.88279838 0.95602291 1\n C C10 1 0.75347789 0.49608658 0.27015199 1\n C C11 1 0.75285056 0.83650825 0.08260112 1\n C C12 1 0.75308053 0.89771589 0.57235413 1\n C C13 1 0.75342568 0.45187421 0.46848969 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51412000\n_cell_length_b 4.18340000\n_cell_length_c 4.11285000\n_cell_angle_alpha 60.59584000\n_cell_angle_beta 90.05252000\n_cell_angle_gamma 72.61796000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.39260265\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42335706 0.55852516 0.71376328 1\n C C1 1 0.03517350 0.33469409 0.32558145 1\n C C2 1 0.42313052 0.55887558 0.34431356 1\n C C3 1 0.22926961 0.94665362 0.67004334 1\n C C4 1 0.03523247 0.33431404 0.95664813 1\n C C5 1 0.22913474 -0.05355078 1.00023464 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47288000\n_cell_length_b 4.80313000\n_cell_length_c 4.94701000\n_cell_angle_alpha 75.05677000\n_cell_angle_beta 120.03915000\n_cell_angle_gamma 120.99335000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60388781\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60638608 0.57189661 0.78081194 1\n C C1 1 0.39899536 0.69781406 0.94747721 1\n C C2 1 0.23163187 0.19782075 0.28074708 1\n C C3 1 0.77315502 0.07187870 -0.05247300 1\n C C4 1 0.23215043 0.19781104 0.78076212 1\n C C5 1 0.77263646 0.07188842 0.44751195 1\n C C6 1 0.60579153 0.57188540 0.28079686 1\n C C7 1 0.39840081 0.69780285 0.44746214 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42787000\n_cell_length_b 5.70892000\n_cell_length_c 4.23081000\n_cell_angle_alpha 132.42530000\n_cell_angle_beta 90.00422000\n_cell_angle_gamma 90.00926000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.28644667\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09432807 0.34734824 0.12883449 1\n C C1 1 1.09434086 0.93483072 0.12832238 1\n C C2 1 0.59431124 0.77758060 0.98902195 1\n C C3 1 0.09434244 0.28614392 0.41924225 1\n C C4 1 0.59442632 0.42619305 0.69930337 1\n C C5 1 0.59433907 0.36539717 0.98966895 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48820000\n_cell_length_b 3.51679000\n_cell_length_c 4.30576000\n_cell_angle_alpha 65.91594000\n_cell_angle_beta 73.20569000\n_cell_angle_gamma 90.01848000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62773882\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10832709 0.43555075 0.29530242 1\n C C1 1 0.60860935 0.68592015 0.29524721 1\n C C2 1 0.94194268 0.01925348 0.62858054 1\n C C3 1 0.44166042 0.76888409 0.62863576 1\n C C4 1 0.77499375 0.10221742 0.96196909 1\n C C5 1 0.27527601 0.35258681 -0.03808612 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47396000\n_cell_length_b 2.47355000\n_cell_length_c 8.23554000\n_cell_angle_alpha 90.01621000\n_cell_angle_beta 89.97882000\n_cell_angle_gamma 120.02050000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.63613706\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04118848 0.31559805 0.68072244 1\n C C1 1 1.04195366 0.31648492 0.36764702 1\n C C2 1 0.04173476 0.31571517 0.18079522 1\n C C3 1 0.70844950 0.64981980 0.43076078 1\n C C4 1 0.04090487 0.31530549 -0.13238027 1\n C C5 1 0.70789322 0.64900449 0.61759778 1\n C C6 1 0.70826043 0.64891339 0.11766324 1\n C C7 1 0.70748398 0.64864727 0.93076888 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48474000\n_cell_length_b 3.82533000\n_cell_length_c 5.97127000\n_cell_angle_alpha 68.47984000\n_cell_angle_beta 77.99848000\n_cell_angle_gamma 108.93526000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.36688887\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38083477 0.42734041 0.20536325 1\n C C1 1 0.95434644 0.12259607 0.75548915 1\n C C2 1 1.22177681 0.05553519 0.14916648 1\n C C3 1 0.29098339 0.63515602 0.59258764 1\n C C4 1 0.76482546 0.35845656 0.37011529 1\n C C5 1 0.90747407 0.70452334 0.42773099 1\n C C6 1 0.71732133 0.93985916 1.04264127 1\n C C7 1 0.45014293 0.00702254 0.64882694 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42691000\n_cell_length_b 6.01900000\n_cell_length_c 5.33300000\n_cell_angle_alpha 102.86356000\n_cell_angle_beta 90.12852000\n_cell_angle_gamma 114.85008000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.50985632\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74809954 0.58254454 0.94364595 1\n C C1 1 1.28707693 0.61864938 0.82761586 1\n C C2 1 -0.20077465 0.11147001 1.08206253 1\n C C3 1 0.26895455 0.08070051 0.94837642 1\n C C4 1 0.27133071 0.08551145 0.46810120 1\n C C5 1 1.29119283 0.62384120 0.34745108 1\n C C6 1 0.75953878 0.59185965 0.21361292 1\n C C7 1 0.12226716 0.94026797 0.67120345 1\n C C8 1 0.43940013 0.76444516 0.62473598 1\n C C9 1 -0.19171020 0.12019512 0.35162520 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44305000\n_cell_length_b 5.71251000\n_cell_length_c 7.82165000\n_cell_angle_alpha 84.86657000\n_cell_angle_beta 89.97659000\n_cell_angle_gamma 78.02186000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 106.33503584\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93317076 0.54707823 0.65480587 1\n C C1 1 0.51974855 0.36022776 0.23596141 1\n C C2 1 0.66790701 0.03081138 0.50457083 1\n C C3 1 0.14170243 0.08015213 0.76743557 1\n C C4 1 0.44630995 0.51963910 0.74219778 1\n C C5 1 1.17124276 0.04935629 0.08977716 1\n C C6 1 0.45603677 0.49963107 0.39069085 1\n C C7 1 0.15557724 1.05660647 0.41635309 1\n C C8 1 1.09682665 0.19881296 0.24340136 1\n C C9 1 0.43373785 0.52882043 0.06817086 1\n C C10 1 0.66028214 0.04267405 0.68679173 1\n C C11 1 0.50799377 0.37889084 0.91509397 1\n C C12 1 0.86213234 0.67395042 0.06823827 1\n C C13 1 0.93747179 0.53749191 0.47179014 1\n C C14 1 0.74211284 0.90513489 1.08915790 1\n C C15 1 1.08475114 0.21758797 0.92278832 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26061000\n_cell_length_b 3.63594000\n_cell_length_c 3.28216000\n_cell_angle_alpha 75.32986000\n_cell_angle_beta 80.82476000\n_cell_angle_gamma 75.39276000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.23564870\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46177458 0.90250551 0.91815068 1\n C C1 1 0.87849541 0.28458197 0.29077519 1\n C C2 1 0.72828789 0.52081461 0.86456378 1\n C C3 1 0.51769100 0.28359063 0.65262473 1\n C C4 1 1.09019843 0.52140303 0.50401636 1\n C C5 1 0.14602060 0.90291684 0.23615945 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.14993000\n_cell_length_b 3.28766000\n_cell_length_c 4.58247000\n_cell_angle_alpha 108.60142000\n_cell_angle_beta 115.22916000\n_cell_angle_gamma 102.72130000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.75840487\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41242486 0.56321702 0.64537372 1\n C C1 1 0.72425240 0.07283704 0.47135041 1\n C C2 1 1.03551935 0.54874357 0.60757101 1\n C C3 1 0.72405723 0.49905413 0.95891817 1\n C C4 1 0.72385189 0.03940758 0.78192681 1\n C C5 1 0.03548506 -0.12486468 -0.04289855 1\n C C6 1 0.72386270 0.61290695 0.29410880 1\n C C7 1 0.41244100 0.23686390 0.29597044 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42995000\n_cell_length_b 2.42988000\n_cell_length_c 8.88766000\n_cell_angle_alpha 106.85088000\n_cell_angle_beta 80.79938000\n_cell_angle_gamma 120.00436000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.48614711\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23039370 0.51803162 0.54707453 1\n C C1 1 0.03398842 1.06423042 0.88063494 1\n C C2 1 0.56407970 0.18516205 0.54748129 1\n C C3 1 0.29620947 1.04164334 0.21308864 1\n C C4 1 0.96329716 0.37391883 0.21251606 1\n C C5 1 0.70045244 0.39762184 0.88018483 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43043000\n_cell_length_b 3.08007000\n_cell_length_c 6.87438000\n_cell_angle_alpha 121.29860000\n_cell_angle_beta 100.33284000\n_cell_angle_gamma 89.85469000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.00650999\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20913506 1.05904212 0.22495520 1\n C C1 1 0.87574947 0.72591865 0.55818818 1\n C C2 1 0.09843477 0.61488419 0.00321384 1\n C C3 1 0.43171725 -0.05149950 0.66977254 1\n C C4 1 0.54246699 0.39230235 0.89162948 1\n C C5 1 0.76504919 0.28176073 0.33644682 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48005000\n_cell_length_b 4.24189000\n_cell_length_c 5.62733000\n_cell_angle_alpha 82.20426000\n_cell_angle_beta 102.76853000\n_cell_angle_gamma 90.01632000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.17548759\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.26628783 0.54693964 0.45516061 1\n C C1 1 0.09296685 0.09824787 0.16985264 1\n C C2 1 0.91854928 0.68178899 0.82293883 1\n C C3 1 0.60304139 0.59575104 0.18942808 1\n C C4 1 0.54900600 0.28452450 0.08309710 1\n C C5 1 0.28597918 0.36972778 0.55791577 1\n C C6 1 0.24298756 0.04450394 0.47231931 1\n C C7 1 0.05040225 0.77230716 0.08610784 1\n C C8 1 0.78765640 0.85773732 0.56083417 1\n C C9 1 0.41797783 0.46071226 0.82158775 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.87563000\n_cell_length_b 4.55429000\n_cell_length_c 5.69792000\n_cell_angle_alpha 62.73074000\n_cell_angle_beta 94.13301000\n_cell_angle_gamma 90.29515000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 89.11866304\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85608968 0.82216745 0.06832293 1\n C C1 1 0.41728526 0.65317707 0.67534301 1\n C C2 1 1.18030025 0.34844944 0.22037162 1\n C C3 1 0.53060927 0.31863282 0.89581411 1\n C C4 1 0.08898654 0.64277507 0.00885489 1\n C C5 1 -0.22906273 0.65713859 0.32261067 1\n C C6 1 0.76747292 0.11795908 0.85777773 1\n C C7 1 0.41762936 0.14738017 0.18295008 1\n C C8 1 -0.02723651 0.11065585 0.65978816 1\n C C9 1 0.53125361 0.81305094 0.40325030 1\n C C10 1 -0.02447122 0.35568105 0.41834128 1\n C C11 1 0.17637607 0.80879857 0.75510401 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46239000\n_cell_length_b 4.61830000\n_cell_length_c 5.61694000\n_cell_angle_alpha 87.42934000\n_cell_angle_beta 61.42915000\n_cell_angle_gamma 80.37919000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.26333354\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31260108 0.62619400 0.49869593 1\n C C1 1 0.48027067 1.22345041 0.72268497 1\n C C2 1 -0.25648283 0.86778823 1.03655708 1\n C C3 1 0.36441093 -0.07854776 0.35449726 1\n C C4 1 0.39294459 0.40590055 0.11007326 1\n C C5 1 0.38354913 0.69005887 0.95800594 1\n C C6 1 0.62666496 0.56594692 0.66907718 1\n C C7 1 0.71341720 0.38375918 0.28142809 1\n C C8 1 0.72414453 0.09945416 0.43305274 1\n C C9 1 0.79412614 1.16310865 -0.10679567 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48845000\n_cell_length_b 4.30296000\n_cell_length_c 4.97378000\n_cell_angle_alpha 106.80633000\n_cell_angle_beta 120.04085000\n_cell_angle_gamma 73.19094000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.45883852\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27313709 0.70716946 0.88035131 1\n C C1 1 0.39750182 0.33213536 0.81728044 1\n C C2 1 0.77303104 0.20715096 0.13010295 1\n C C3 1 0.89780179 0.83206162 0.56750497 1\n C C4 1 0.39739846 0.33208413 0.31727913 1\n C C5 1 0.27348291 0.70708098 0.38033255 1\n C C6 1 0.89737729 0.83215161 0.06752354 1\n C C7 1 0.77330010 0.20709397 0.63009331 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41787000\n_cell_length_b 6.45544000\n_cell_length_c 5.98632000\n_cell_angle_alpha 135.13160000\n_cell_angle_beta 80.32836000\n_cell_angle_gamma 120.47596000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.92105662\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88452189 0.83743714 0.54449929 1\n C C1 1 0.30742046 0.03229287 0.25638633 1\n C C2 1 0.96408797 0.38309483 1.00869697 1\n C C3 1 0.58362498 0.52030746 0.17688214 1\n C C4 1 0.71272086 0.79944748 0.77166618 1\n C C5 1 0.83236504 0.10262126 0.41512269 1\n C C6 1 0.23990880 0.87183071 -0.06888128 1\n C C7 1 0.66005029 0.06403725 0.64176328 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43197000\n_cell_length_b 4.20097000\n_cell_length_c 6.00420000\n_cell_angle_alpha 71.36937000\n_cell_angle_beta 79.81340000\n_cell_angle_gamma 90.02545000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.10520459\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81244557 0.09034409 0.14854746 1\n C C1 1 0.55490085 1.13873050 0.64833538 1\n C C2 1 0.31243414 0.59034248 0.14855479 1\n C C3 1 0.31248879 -0.07684570 0.14842268 1\n C C4 1 -0.18752027 0.42315535 0.14842558 1\n C C5 1 0.05490991 0.63872946 0.64833249 1\n C C6 1 0.55495551 0.47154233 0.64820328 1\n C C7 1 1.05494408 -0.02845928 0.64821061 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46688000\n_cell_length_b 3.35736000\n_cell_length_c 6.13787000\n_cell_angle_alpha 67.93123000\n_cell_angle_beta 77.79990000\n_cell_angle_gamma 110.94617000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.33653329\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06365073 0.35408103 0.99255039 1\n C C1 1 0.21317984 0.23683908 0.32131122 1\n C C2 1 0.24897879 0.70784284 0.71857025 1\n C C3 1 0.92439094 0.53475051 0.19648489 1\n C C4 1 0.89825725 0.88428706 0.59523960 1\n C C5 1 0.22494070 0.05590238 0.11763474 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46991000\n_cell_length_b 5.47072000\n_cell_length_c 3.39575000\n_cell_angle_alpha 71.90080000\n_cell_angle_beta 90.00346000\n_cell_angle_gamma 71.51352000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.76156244\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14780407 0.77128994 0.63587631 1\n C C1 1 0.98826563 0.59022500 0.49547150 1\n C C2 1 0.64404162 0.77958905 0.13181897 1\n C C3 1 0.82870728 0.40902819 0.81646919 1\n C C4 1 0.08449236 0.23579303 0.22607020 1\n C C5 1 0.74717052 0.23565878 0.58063798 1\n C C6 1 0.48814637 0.58995415 0.95723103 1\n C C7 1 0.23115426 0.94463414 0.22696325 1\n C C8 1 0.33313083 0.40069848 0.32069128 1\n C C9 1 0.89293127 -0.05517487 0.87105869 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.22274000\n_cell_length_b 5.01224000\n_cell_length_c 3.24870000\n_cell_angle_alpha 112.45399000\n_cell_angle_beta 68.64814000\n_cell_angle_gamma 112.31280000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.36896075\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47132639 0.72194417 0.15168705 1\n C C1 1 0.85393140 0.72188250 0.76917388 1\n C C2 1 0.90843633 0.22140062 0.20611788 1\n C C3 1 0.11946786 0.02668391 0.79940253 1\n C C4 1 0.50303023 0.02676893 0.41722464 1\n C C5 1 1.06626550 0.52733357 0.36310501 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.84067000\n_cell_length_b 4.23554000\n_cell_length_c 10.66332000\n_cell_angle_alpha 81.11486000\n_cell_angle_beta 102.69378000\n_cell_angle_gamma 144.49705000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 123.74883525\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41685550 0.47538507 0.90595931 1\n C C1 1 0.70153848 0.47695097 0.43639035 1\n C C2 1 0.81494861 0.54921706 0.57840824 1\n C C3 1 0.20461925 0.82062534 0.79642436 1\n C C4 1 0.41437593 0.80503809 0.90606081 1\n C C5 1 0.62583069 0.45872171 1.01595177 1\n C C6 1 1.11132094 0.28995613 0.36254122 1\n C C7 1 0.15549128 -0.03021354 0.36141563 1\n C C8 1 0.62855068 0.12861686 1.01578916 1\n C C9 1 0.99741755 0.17405465 0.68634082 1\n C C10 1 0.20107197 0.15001870 0.79644758 1\n C C11 1 0.82527109 0.10168716 0.12695259 1\n C C12 1 0.79633024 0.85413034 0.57941139 1\n C C13 1 -0.00065287 0.50382071 0.68637763 1\n C C14 1 0.83522023 0.77676990 0.12649403 1\n C C15 1 0.02530578 0.73996353 0.23688060 1\n C C16 1 0.65483395 0.80351359 0.43753795 1\n C C17 1 1.00366889 0.39626934 0.23803706 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20996000\n_cell_length_b 3.89814000\n_cell_length_c 3.14123000\n_cell_angle_alpha 107.50587000\n_cell_angle_beta 76.34483000\n_cell_angle_gamma 69.54914000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.57472080\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54100445 0.68778611 0.35108934 1\n C C1 1 0.20764748 0.35470193 0.01758368 1\n C C2 1 0.54084413 0.01941355 0.68763277 1\n C C3 1 0.20760522 0.68572065 0.35446157 1\n C C4 1 0.87429894 1.02145146 0.68406874 1\n C C5 1 0.87424448 0.35253351 0.02112629 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03527000\n_cell_length_b 3.61348000\n_cell_length_c 4.83071000\n_cell_angle_alpha 111.88062000\n_cell_angle_beta 113.31099000\n_cell_angle_gamma 84.49325000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.06998467\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86954907 0.17338819 0.19695552 1\n C C1 1 0.87905036 0.23330846 0.69970882 1\n C C2 1 0.87169080 0.96000597 0.38941892 1\n C C3 1 -0.12838694 0.57888109 0.38922853 1\n C C4 1 0.87856044 0.61404969 0.69942123 1\n C C5 1 -0.11906872 1.01946870 0.89184958 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42480000\n_cell_length_b 4.85336000\n_cell_length_c 4.21608000\n_cell_angle_alpha 89.69982000\n_cell_angle_beta 90.15898000\n_cell_angle_gamma 119.74854000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.07713557\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36255785 0.07683529 0.41211126 1\n C C1 1 0.71507725 0.92821533 0.56133924 1\n C C2 1 0.77406502 -0.01140055 0.90856583 1\n C C3 1 0.30269601 0.01686523 0.06438235 1\n C C4 1 0.36678780 0.58018145 0.50264800 1\n C C5 1 0.71138867 0.42464695 0.47401852 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48497000\n_cell_length_b 4.67963000\n_cell_length_c 4.08715000\n_cell_angle_alpha 96.66289000\n_cell_angle_beta 90.00066000\n_cell_angle_gamma 74.59373000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.48749596\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50472538 0.54668601 0.45833205 1\n C C1 1 0.11958977 0.31673175 -0.07426769 1\n C C2 1 0.83179885 0.89061735 0.16461602 1\n C C3 1 0.28910092 0.97612833 0.99383767 1\n C C4 1 0.34857508 0.86012866 0.63813502 1\n C C5 1 0.77630610 0.00500055 0.52011562 1\n C C6 1 0.61878350 0.31870897 0.69993504 1\n C C7 1 0.00324811 0.54923938 0.23163297 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43938000\n_cell_length_b 4.13817000\n_cell_length_c 9.84563000\n_cell_angle_alpha 106.78471000\n_cell_angle_beta 90.00096000\n_cell_angle_gamma 89.99865000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 95.15315131\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05244702 0.33689398 -0.04196604 1\n C C1 1 0.05231679 0.15521749 0.42697409 1\n C C2 1 1.05235839 0.35527178 0.11242647 1\n C C3 1 0.55240246 0.38007723 0.89582885 1\n C C4 1 0.55239914 0.91462954 0.59075265 1\n C C5 1 0.55235829 0.58584442 0.34523427 1\n C C6 1 0.05230528 0.01946249 1.13365948 1\n C C7 1 0.55237658 0.55106180 0.18109732 1\n C C8 1 0.55230871 -0.12664054 0.14665813 1\n C C9 1 0.05235670 0.42746842 0.37988813 1\n C C10 1 0.55232908 0.53137573 0.78342094 1\n C C11 1 1.05231720 0.63990217 0.74023411 1\n C C12 1 0.05238666 0.82854127 0.64108391 1\n C C13 1 0.55233190 0.98104464 0.44915078 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49061000\n_cell_length_b 3.59157000\n_cell_length_c 4.35489000\n_cell_angle_alpha 84.31217000\n_cell_angle_beta 106.59917000\n_cell_angle_gamma 110.29397000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01459948\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40965795 0.42065057 0.64511067 1\n C C1 1 0.22057062 0.42035129 0.26905367 1\n C C2 1 0.69855168 0.79177623 0.85114767 1\n C C3 1 0.59157710 0.16093846 0.26937209 1\n C C4 1 0.30347953 0.79139944 0.06315781 1\n C C5 1 0.78040852 0.16136421 0.64521559 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48375000\n_cell_length_b 4.32480000\n_cell_length_c 5.01312000\n_cell_angle_alpha 109.51454000\n_cell_angle_beta 94.42045000\n_cell_angle_gamma 113.25504000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.25461783\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78752863 0.79028604 0.65606596 1\n C C1 1 0.39794185 0.08437840 0.46556618 1\n C C2 1 0.19267894 0.69509874 0.46577026 1\n C C3 1 0.19420217 0.51160114 0.94003042 1\n C C4 1 0.99354403 0.17980342 0.65596766 1\n C C5 1 0.99240674 0.36332612 0.18194583 1\n C C6 1 0.87218184 0.74254797 0.93993548 1\n C C7 1 0.31346031 0.13224837 0.18191051 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43187000\n_cell_length_b 6.88422000\n_cell_length_c 8.04272000\n_cell_angle_alpha 114.08576000\n_cell_angle_beta 81.64117000\n_cell_angle_gamma 90.72715000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 121.45639139\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32293611 0.59535707 0.59605919 1\n C C1 1 0.74315193 0.22601353 0.75016702 1\n C C2 1 -0.05729387 0.13490317 0.36470545 1\n C C3 1 0.83452788 0.26960403 0.56914260 1\n C C4 1 0.12628927 0.46600743 0.02098631 1\n C C5 1 0.58611581 0.45493991 0.10518660 1\n C C6 1 0.21575597 0.36687064 0.81876456 1\n C C7 1 0.84542008 0.66357689 0.55295033 1\n C C8 1 0.56510847 0.90537749 0.09161329 1\n C C9 1 0.30413382 0.40891517 0.63688169 1\n C C10 1 0.71011957 0.05088512 0.81156565 1\n C C11 1 0.46789070 0.99142876 0.30112072 1\n C C12 1 -0.00185708 0.28887541 0.27560804 1\n C C13 1 0.42072137 0.84631343 0.39656181 1\n C C14 1 0.52325180 0.35451874 0.22984941 1\n C C15 1 0.89324031 0.79232291 0.45161625 1\n C C16 1 0.10889521 0.91075391 1.00529826 1\n C C17 1 1.18321885 0.98960417 0.86295832 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44142000\n_cell_length_b 6.69333000\n_cell_length_c 5.41657000\n_cell_angle_alpha 48.99839000\n_cell_angle_beta 89.96877000\n_cell_angle_gamma 68.58705000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.48124046\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18717052 0.90676870 0.52408032 1\n C C1 1 0.58836105 0.00432665 0.82177588 1\n C C2 1 0.19009902 0.90328749 0.25936918 1\n C C3 1 0.94479873 0.64770987 0.16570422 1\n C C4 1 0.46879765 0.62311187 0.35414186 1\n C C5 1 1.15079356 0.44074414 0.11135836 1\n C C6 1 0.55663270 0.53526175 0.88018446 1\n C C7 1 0.51903736 1.07465187 0.49099907 1\n C C8 1 -0.01728028 0.10902544 0.88955563 1\n C C9 1 0.68006110 0.41272962 0.72245242 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48217000\n_cell_length_b 3.84963000\n_cell_length_c 5.91005000\n_cell_angle_alpha 130.60531000\n_cell_angle_beta 114.85216000\n_cell_angle_gamma 89.99614000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.70799032\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06577646 0.87471987 0.87224791 1\n C C1 1 0.33254275 0.43661029 0.13903687 1\n C C2 1 1.06530395 0.46483238 0.87176419 1\n C C3 1 0.06174446 0.66621763 0.36822172 1\n C C4 1 0.32851075 0.22810805 0.63501067 1\n C C5 1 0.32898326 0.63799554 0.63549439 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41684000\n_cell_length_b 4.93081000\n_cell_length_c 4.84310000\n_cell_angle_alpha 40.95552000\n_cell_angle_beta 70.76631000\n_cell_angle_gamma 71.18387000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.13855370\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78440574 0.13323624 0.49484049 1\n C C1 1 -0.04278640 0.30577819 0.82228111 1\n C C2 1 0.45715660 0.80565456 0.82233280 1\n C C3 1 0.42966237 0.48739327 0.28650295 1\n C C4 1 0.92973695 0.98751537 0.28641867 1\n C C5 1 0.28447478 0.63333459 0.49468754 1\n C C6 1 0.60250153 0.66005910 0.61383532 1\n C C7 1 0.10241662 0.15990599 0.61402782 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49087000\n_cell_length_b 4.35136000\n_cell_length_c 3.59274000\n_cell_angle_alpha 84.31450000\n_cell_angle_beta 69.71870000\n_cell_angle_gamma 73.39032000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00221459\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11259200 0.79581419 -0.07466496 1\n C C1 1 1.02989528 0.59029854 0.29643690 1\n C C2 1 0.55259845 0.17236983 0.66696902 1\n C C3 1 0.74097995 0.79647412 0.66633821 1\n C C4 1 0.63509423 0.37794304 0.29696344 1\n C C5 1 0.92362889 0.17214738 0.92589550 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43129000\n_cell_length_b 2.42657000\n_cell_length_c 8.86171000\n_cell_angle_alpha 74.09147000\n_cell_angle_beta 90.15468000\n_cell_angle_gamma 119.96083000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.99143891\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30005671 0.09797342 0.42945642 1\n C C1 1 0.53605107 0.55004237 0.09590096 1\n C C2 1 0.86917547 0.21716923 0.09533993 1\n C C3 1 0.96736248 0.43149546 0.42946038 1\n C C4 1 0.11532650 0.64133864 0.76235336 1\n C C5 1 0.44805597 1.30774268 0.76236055 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42700000\n_cell_length_b 4.22933000\n_cell_length_c 4.23006000\n_cell_angle_alpha 86.79085000\n_cell_angle_beta 89.98191000\n_cell_angle_gamma 90.00669000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.35171392\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13450906 0.85539773 0.19057744 1\n C C1 1 0.13467052 0.79483604 0.54042881 1\n C C2 1 0.63461158 0.71245517 1.04759475 1\n C C3 1 1.13467304 0.20523399 0.13045166 1\n C C4 1 0.63460590 0.36215455 0.10798350 1\n C C5 1 0.63452680 0.77270652 0.69728753 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46091000\n_cell_length_b 2.48370000\n_cell_length_c 10.37045000\n_cell_angle_alpha 103.79699000\n_cell_angle_beta 96.91964000\n_cell_angle_gamma 90.01436000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.08099319\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38317857 1.01726616 0.56598364 1\n C C1 1 0.55011756 0.86763292 -0.08008560 1\n C C2 1 0.13951292 0.53780109 0.09217001 1\n C C3 1 0.48055500 0.72594867 0.78126832 1\n C C4 1 0.73173995 0.21428515 0.27133619 1\n C C5 1 0.45144206 0.15689164 0.71130971 1\n C C6 1 0.18571399 0.12321925 0.17856713 1\n C C7 1 0.84945219 0.94690422 0.49732310 1\n C C8 1 0.77582044 -0.20488878 0.35215547 1\n C C9 1 0.59338392 0.44766248 0.00015542 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47362000\n_cell_length_b 4.30448000\n_cell_length_c 4.96346000\n_cell_angle_alpha 90.01351000\n_cell_angle_beta 119.90861000\n_cell_angle_gamma 89.99736000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.81081632\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71196118 0.57057253 0.51438370 1\n C C1 1 0.71245242 0.71015848 1.01440015 1\n C C2 1 0.71219463 0.21006305 0.51450493 1\n C C3 1 0.07224785 0.71007434 0.37528939 1\n C C4 1 1.07267396 1.07065075 0.37535151 1\n C C5 1 -0.28791015 0.07066402 0.01447813 1\n C C6 1 1.07239273 0.21016596 0.87539066 1\n C C7 1 1.07294527 0.57073959 0.87524673 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47806000\n_cell_length_b 6.56741000\n_cell_length_c 4.12389000\n_cell_angle_alpha 100.86934000\n_cell_angle_beta 90.04551000\n_cell_angle_gamma 112.16433000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.84834395\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26533112 0.54190980 0.56503876 1\n C C1 1 0.04231441 0.31946781 0.33564181 1\n C C2 1 0.27867374 0.05491428 0.03637810 1\n C C3 1 0.78338774 0.05950729 0.25797177 1\n C C4 1 0.11617670 0.89355609 0.70830053 1\n C C5 1 0.62278790 0.90080442 0.49065743 1\n C C6 1 0.38663993 0.66609688 0.28030980 1\n C C7 1 0.80389623 0.58349715 0.08297697 1\n C C8 1 0.85712656 0.63369848 0.74856818 1\n C C9 1 0.55090198 0.32903429 0.12640326 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.93627000\n_cell_length_b 5.76436000\n_cell_length_c 7.69444000\n_cell_angle_alpha 44.35707000\n_cell_angle_beta 77.68168000\n_cell_angle_gamma 85.78455000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 118.44785937\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08439309 0.49030381 0.48208580 1\n C C1 1 0.83030480 0.51538922 0.23138559 1\n C C2 1 1.14859320 0.65090968 0.54673997 1\n C C3 1 -0.01020190 0.20504510 0.38792948 1\n C C4 1 0.64861017 -0.34909680 1.04673635 1\n C C5 1 0.48774531 -0.03925604 0.89064009 1\n C C6 1 0.33016415 0.51531901 0.73146098 1\n C C7 1 0.14983374 0.20042579 0.54636296 1\n C C8 1 0.39358035 0.67548163 0.79665495 1\n C C9 1 0.82945849 0.96602996 0.23150040 1\n C C10 1 0.32965395 0.96612359 0.73138935 1\n C C11 1 0.89373440 0.67556582 0.29656682 1\n C C12 1 -0.01235345 0.96068809 0.39069653 1\n C C13 1 0.48956734 0.20495967 0.88804181 1\n C C14 1 0.58408636 0.49013756 0.98227188 1\n C C15 1 0.64932511 0.20017621 0.04663626 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.99193000\n_cell_length_b 2.82917000\n_cell_length_c 4.83225000\n_cell_angle_alpha 92.26652000\n_cell_angle_beta 111.71890000\n_cell_angle_gamma 61.45583000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.90314400\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29235022 0.29571551 0.28883930 1\n C C1 1 0.50651976 0.08406003 1.09820930 1\n C C2 1 0.23066979 0.35533089 0.78795050 1\n C C3 1 -0.11260188 0.70365550 0.09771691 1\n C C4 1 0.44457225 1.14407014 0.59719015 1\n C C5 1 0.84973615 0.73602544 0.78799114 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48181000\n_cell_length_b 3.73816000\n_cell_length_c 4.57962000\n_cell_angle_alpha 89.97455000\n_cell_angle_beta 57.16697000\n_cell_angle_gamma 89.99802000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.69985766\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94490569 0.93415281 0.34311280 1\n C C1 1 0.73886227 0.43059330 1.04841906 1\n C C2 1 0.14849712 0.43008705 0.63909114 1\n C C3 1 0.44472720 0.16370977 0.34330476 1\n C C4 1 0.23878153 0.66795924 0.04834334 1\n C C5 1 0.64877720 0.66755483 0.63877991 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32223000\n_cell_length_b 4.88777000\n_cell_length_c 4.89332000\n_cell_angle_alpha 94.12380000\n_cell_angle_beta 126.37808000\n_cell_angle_gamma 86.44914000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.79020718\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30488871 0.77396125 0.72390050 1\n C C1 1 1.14829952 0.63237700 0.12474276 1\n C C2 1 -0.01170262 0.73842831 0.35638924 1\n C C3 1 0.14524832 -0.11756968 -0.04425356 1\n C C4 1 0.63099497 0.50573923 0.22126332 1\n C C5 1 0.66167513 1.00823008 0.85961435 1\n C C6 1 0.61128204 0.51310310 0.89277745 1\n C C7 1 0.68211700 0.00060755 0.18789355 1\n C C8 1 -0.09982438 0.25352336 0.40173311 1\n C C9 1 0.39235953 0.26051101 0.67967278 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42711000\n_cell_length_b 4.81581000\n_cell_length_c 7.76494000\n_cell_angle_alpha 54.73946000\n_cell_angle_beta 61.95643000\n_cell_angle_gamma 59.64436000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.86545872\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02361403 0.87660593 0.31046141 1\n C C1 1 -0.06740557 0.32366290 0.37530631 1\n C C2 1 1.14879689 0.69084706 0.65238044 1\n C C3 1 1.07425242 0.13218298 0.07496021 1\n C C4 1 0.24988358 -0.05599366 0.41649778 1\n C C5 1 0.29584839 0.49724005 0.35054395 1\n C C6 1 0.62622896 0.55732042 0.75671609 1\n C C7 1 0.59731097 0.26565143 -0.02935239 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.61157000\n_cell_length_b 3.64861000\n_cell_length_c 5.54291000\n_cell_angle_alpha 70.99055000\n_cell_angle_beta 60.62296000\n_cell_angle_gamma 90.39160000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.61545733\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85223792 0.70165132 0.70543612 1\n C C1 1 0.35168062 0.64462134 0.20428302 1\n C C2 1 0.35168645 0.25987156 0.20427629 1\n C C3 1 0.66226707 0.91420364 -0.10379005 1\n C C4 1 0.16149166 -0.14261719 0.39486259 1\n C C5 1 -0.33787892 0.29904074 0.89619873 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29825000\n_cell_length_b 5.74459000\n_cell_length_c 5.82417000\n_cell_angle_alpha 88.87070000\n_cell_angle_beta 59.12335000\n_cell_angle_gamma 93.44618000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 94.37546411\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34731528 0.24223900 0.56194918 1\n C C1 1 0.04216998 0.36771543 0.15896012 1\n C C2 1 1.28812944 0.15325696 0.18231782 1\n C C3 1 0.63739901 0.46262364 0.38631077 1\n C C4 1 0.18791514 1.02755004 -0.01811062 1\n C C5 1 1.10238929 0.05696081 0.46195596 1\n C C6 1 0.60016797 0.13385612 0.69145072 1\n C C7 1 0.53046670 0.66824416 0.23081734 1\n C C8 1 0.87638032 0.29564019 0.77457767 1\n C C9 1 0.68530277 0.62549679 0.57403877 1\n C C10 1 0.82194806 0.20833149 0.02862077 1\n C C11 1 0.06340212 0.77252327 1.00351920 1\n C C12 1 0.14760879 0.80208500 0.47355942 1\n C C13 1 0.36065778 0.58951618 1.04252108 1\n C C14 1 0.18939110 0.70968832 0.71626803 1\n C C15 1 0.77832706 0.53695270 0.78248386 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35220000\n_cell_length_b 3.40609000\n_cell_length_c 4.58093000\n_cell_angle_alpha 90.74106000\n_cell_angle_beta 111.44706000\n_cell_angle_gamma 87.90888000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.65036471\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62110237 0.39673249 0.78554981 1\n C C1 1 0.36232461 0.74259082 0.60439444 1\n C C2 1 0.26295451 0.09639016 0.10546824 1\n C C3 1 -0.07712275 0.57606372 0.39044127 1\n C C4 1 0.28412917 1.08727258 0.78535240 1\n C C5 1 0.84997663 0.24287313 0.58027448 1\n C C6 1 0.96429769 0.38445472 0.10554215 1\n C C7 1 0.58924807 0.90894039 0.39088291 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41315000\n_cell_length_b 5.36460000\n_cell_length_c 4.18914000\n_cell_angle_alpha 69.15991000\n_cell_angle_beta 74.05019000\n_cell_angle_gamma 74.33588000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.64806818\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10444059 0.50715803 0.76848876 1\n C C1 1 0.46488566 0.34547599 0.21934501 1\n C C2 1 0.22948658 0.12369712 0.22361068 1\n C C3 1 0.89853657 0.27594258 -0.00514854 1\n C C4 1 0.84073742 0.75545631 0.58162000 1\n C C5 1 0.77810164 1.15544750 -0.22980482 1\n C C6 1 0.78671404 0.69036687 0.27600238 1\n C C7 1 1.20000664 0.59318901 0.03288823 1\n C C8 1 0.40668361 0.82488484 0.80642978 1\n C C9 1 0.52686610 -0.05482481 1.03119305 1\n C C10 1 0.07624080 0.97738645 0.57738443 1\n C C11 1 0.51882674 0.40972962 0.52551895 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27225000\n_cell_length_b 4.23532000\n_cell_length_c 3.27529000\n_cell_angle_alpha 95.22380000\n_cell_angle_beta 80.83619000\n_cell_angle_gamma 56.06239000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.27042671\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66967092 0.43034447 0.77400652 1\n C C1 1 0.55588048 0.81182500 0.71877175 1\n C C2 1 0.46672292 0.04876633 0.14536437 1\n C C3 1 1.10562712 0.04878560 0.50633295 1\n C C4 1 0.35293808 0.43025643 1.09054237 1\n C C5 1 -0.08305513 0.81177178 0.35698305 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47519000\n_cell_length_b 4.24837000\n_cell_length_c 4.24858000\n_cell_angle_alpha 51.93881000\n_cell_angle_beta 89.99934000\n_cell_angle_gamma 89.99563000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17580533\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70435989 0.37805137 0.65375048 1\n C C1 1 0.20453251 0.33176955 0.19929389 1\n C C2 1 0.70472621 0.78618482 0.24560704 1\n C C3 1 0.20472621 0.76670213 0.04238103 1\n C C4 1 0.70453251 0.22111740 0.08869418 1\n C C5 1 0.20435989 0.17483558 0.63423758 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48480000\n_cell_length_b 5.48739000\n_cell_length_c 4.59649000\n_cell_angle_alpha 110.46437000\n_cell_angle_beta 105.68615000\n_cell_angle_gamma 90.01262000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.21853935\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60474515 0.35715203 0.33960454 1\n C C1 1 1.02235260 0.20933072 0.17533752 1\n C C2 1 -0.00689524 0.92433731 1.12586577 1\n C C3 1 0.27961069 0.97107327 0.69298150 1\n C C4 1 0.78876274 0.39352757 0.71067923 1\n C C5 1 0.11152658 0.78113521 0.35700099 1\n C C6 1 0.82832774 0.14456619 0.79173890 1\n C C7 1 0.56134778 0.60679623 0.25835117 1\n C C8 1 0.39211853 0.82689895 0.92354401 1\n C C9 1 0.37047303 0.54143442 0.87477655 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48757000\n_cell_length_b 3.87777000\n_cell_length_c 7.12586000\n_cell_angle_alpha 86.02738000\n_cell_angle_beta 79.95091000\n_cell_angle_gamma 90.00045000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.51536907\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16957790 0.26887013 0.22202974 1\n C C1 1 0.94601535 0.71386160 0.67869411 1\n C C2 1 -0.14277134 0.95069802 -0.14281188 1\n C C3 1 0.66083254 0.74955170 0.23830014 1\n C C4 1 1.02773529 0.99507597 0.51303411 1\n C C5 1 0.44542245 0.47101091 0.67994948 1\n C C6 1 0.62317218 0.39613437 0.31461067 1\n C C7 1 0.77321698 0.66869173 0.02272673 1\n C C8 1 0.27467583 0.42988514 0.01982328 1\n C C9 1 0.52626831 0.23322198 0.51604874 1\n C C10 1 0.35789577 0.19291069 0.85587397 1\n C C11 1 0.13132174 0.91559455 0.29731334 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48786000\n_cell_length_b 2.48820000\n_cell_length_c 6.57766000\n_cell_angle_alpha 100.91764000\n_cell_angle_beta 100.90501000\n_cell_angle_gamma 120.03734000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62251734\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58099299 0.30598090 0.46309880 1\n C C1 1 0.83113321 0.88943945 0.37998985 1\n C C2 1 0.83146602 0.22289092 0.04678367 1\n C C3 1 0.58131570 0.97284201 0.79663113 1\n C C4 1 0.58132580 0.63943238 0.12989263 1\n C C5 1 0.83114331 0.55602981 0.71325134 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.22290000\n_cell_length_b 4.96577000\n_cell_length_c 5.93064000\n_cell_angle_alpha 87.94308000\n_cell_angle_beta 76.77012000\n_cell_angle_gamma 89.05102000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 120.98207208\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83057423 0.40042030 0.05812524 1\n C C1 1 0.53851002 0.90661595 0.90928815 1\n C C2 1 0.39349299 0.64767304 0.26432661 1\n C C3 1 0.62097851 0.40290630 0.29120379 1\n C C4 1 1.03821579 0.64258743 -0.05136978 1\n C C5 1 0.09026236 0.24024856 0.71953823 1\n C C6 1 0.77660340 0.79952034 0.46829818 1\n C C7 1 0.55182601 0.94096699 0.65337583 1\n C C8 1 0.64719520 0.87822927 0.26063097 1\n C C9 1 1.09368269 0.65004646 0.45776361 1\n C C10 1 0.77894057 0.48936433 0.47158696 1\n C C11 1 0.08048098 0.54703250 0.70314097 1\n C C12 1 0.32342493 0.08261732 0.56415004 1\n C C13 1 0.44542079 0.13337295 0.30485705 1\n C C14 1 0.77842682 0.37898353 0.69853814 1\n C C15 1 0.84211218 0.89625022 0.01245696 1\n C C16 1 0.55755555 0.39372723 0.93082293 1\n C C17 1 0.35588178 0.14620170 0.04022567 1\n C C18 1 0.36249531 0.64692378 0.01073651 1\n C C19 1 0.03271770 0.15773840 0.97475984 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46330000\n_cell_length_b 4.24915000\n_cell_length_c 4.91160000\n_cell_angle_alpha 81.01686000\n_cell_angle_beta 59.91872000\n_cell_angle_gamma 89.98009000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.75671583\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68200395 0.03684947 0.21373108 1\n C C1 1 0.44931600 -0.08541147 0.56543265 1\n C C2 1 0.07662543 0.54883023 0.19905945 1\n C C3 1 0.91817706 0.38702036 0.72732870 1\n C C4 1 0.58159283 0.55089446 0.56343755 1\n C C5 1 0.31772754 0.90051548 0.07709336 1\n C C6 1 0.68512789 0.38914290 0.09138616 1\n C C7 1 0.78949450 0.02263147 0.72514736 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47367000\n_cell_length_b 3.26056000\n_cell_length_c 8.31968000\n_cell_angle_alpha 87.65484000\n_cell_angle_beta 98.55956000\n_cell_angle_gamma 112.35087000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.36124089\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58993151 0.37140292 0.89453667 1\n C C1 1 0.89975059 0.36041270 0.52665077 1\n C C2 1 0.44715587 0.35745416 0.62320678 1\n C C3 1 0.70090142 0.72593000 0.76099684 1\n C C4 1 0.33990442 0.00403061 0.76068677 1\n C C5 1 1.03461312 0.02369398 1.13206135 1\n C C6 1 0.39475360 0.74529608 0.13221549 1\n C C7 1 0.83501097 0.39007128 0.36547511 1\n C C8 1 1.14347853 0.37725825 -0.00236450 1\n C C9 1 0.28811648 0.39260021 0.26888402 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30169000\n_cell_length_b 3.30467000\n_cell_length_c 5.21996000\n_cell_angle_alpha 84.85696000\n_cell_angle_beta 64.49890000\n_cell_angle_gamma 100.23708000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.69484999\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77664121 0.53409458 0.41752339 1\n C C1 1 0.10334023 0.85985627 0.41792480 1\n C C2 1 0.84334105 0.44453073 0.13229605 1\n C C3 1 0.40589698 0.30301176 0.67311694 1\n C C4 1 0.33818753 0.39834707 -0.04177582 1\n C C5 1 0.07940667 -0.02351818 0.67299469 1\n C C6 1 0.47976133 0.08142569 0.13279861 1\n C C7 1 0.70158401 0.76168658 0.95827753 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48756000\n_cell_length_b 3.51700000\n_cell_length_c 4.97366000\n_cell_angle_alpha 89.99544000\n_cell_angle_beta 89.98261000\n_cell_angle_gamma 89.99453000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.51329822\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62315364 0.04539868 0.02559198 1\n C C1 1 0.62331446 0.29616027 0.77562306 1\n C C2 1 0.62315189 0.29610460 0.27558153 1\n C C3 1 1.12327021 0.54536920 0.77563951 1\n C C4 1 0.12334646 -0.20394736 0.52561637 1\n C C5 1 0.62335965 1.04529140 0.52560406 1\n C C6 1 0.12311258 0.54532057 0.27558130 1\n C C7 1 1.12313920 0.79620933 0.02561088 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46887000\n_cell_length_b 5.22369000\n_cell_length_c 3.37735000\n_cell_angle_alpha 89.04258000\n_cell_angle_beta 68.50692000\n_cell_angle_gamma 90.01158000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.52094608\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02273684 0.63963213 0.76474412 1\n C C1 1 0.75786559 0.71707687 0.20848750 1\n C C2 1 0.56480388 0.51449541 0.59002546 1\n C C3 1 0.17014628 0.84216698 0.38400267 1\n C C4 1 0.60507004 0.23998504 0.51496370 1\n C C5 1 0.12919875 0.11583617 0.46523096 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47413000\n_cell_length_b 4.80467000\n_cell_length_c 4.28112000\n_cell_angle_alpha 63.52667000\n_cell_angle_beta 89.99408000\n_cell_angle_gamma 75.07193000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.62846998\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13736668 0.72811872 0.84254024 1\n C C1 1 0.82468709 0.35408785 0.52948073 1\n C C2 1 0.57441731 0.85413400 0.61294416 1\n C C3 1 0.07448809 0.85403636 1.11299247 1\n C C4 1 0.32468097 0.35407272 1.02944246 1\n C C5 1 0.38758843 0.22815402 0.42582270 1\n C C6 1 0.63737473 0.72810020 0.34259706 1\n C C7 1 0.88765579 0.22806012 0.92587238 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43003000\n_cell_length_b 3.20335000\n_cell_length_c 5.68141000\n_cell_angle_alpha 92.04173000\n_cell_angle_beta 77.07156000\n_cell_angle_gamma 90.92003000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.07548686\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87942291 0.80623397 0.20061553 1\n C C1 1 0.54650998 0.47610191 0.86645187 1\n C C2 1 0.32373836 -0.08419603 0.31244614 1\n C C3 1 0.65784855 0.25475631 0.64436036 1\n C C4 1 0.21348659 0.14532159 0.53248880 1\n C C5 1 0.99079232 0.58526414 -0.02151881 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45107000\n_cell_length_b 5.43736000\n_cell_length_c 5.44733000\n_cell_angle_alpha 126.41243000\n_cell_angle_beta 90.00495000\n_cell_angle_gamma 90.01374000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.42470923\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20611445 0.28913225 0.13929536 1\n C C1 1 0.20605271 0.36628593 0.73604582 1\n C C2 1 0.20612970 0.50923255 0.06729267 1\n C C3 1 0.70603349 0.80730036 0.82937446 1\n C C4 1 0.70610109 -0.06137652 0.16593432 1\n C C5 1 0.20605395 0.84362817 0.25958384 1\n C C6 1 0.70613526 0.27581824 0.29662036 1\n C C7 1 0.70612595 0.46387365 0.63979162 1\n C C8 1 0.20604059 0.03416830 0.59354430 1\n C C9 1 1.20605890 0.96372416 0.81486774 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48492000\n_cell_length_b 4.08650000\n_cell_length_c 5.84491000\n_cell_angle_alpha 127.33514000\n_cell_angle_beta 102.27940000\n_cell_angle_gamma 89.97536000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.47627135\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38480396 0.79552969 0.94727166 1\n C C1 1 0.84277430 0.53968771 0.86147799 1\n C C2 1 0.05544339 0.43302922 0.29048675 1\n C C3 1 0.55435978 0.20520223 0.28836694 1\n C C4 1 0.67264035 0.13086206 0.52032616 1\n C C5 1 0.17130152 0.90267152 0.51798342 1\n C C6 1 0.89834942 0.29887909 0.97635470 1\n C C7 1 0.32655878 0.03576686 0.83203067 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49355000\n_cell_length_b 3.82638000\n_cell_length_c 6.86221000\n_cell_angle_alpha 109.24245000\n_cell_angle_beta 79.54771000\n_cell_angle_gamma 109.00998000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.24343162\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79042482 0.25501104 0.98395674 1\n C C1 1 0.28667525 0.10412339 0.84602533 1\n C C2 1 1.42406473 0.16155310 0.62733725 1\n C C3 1 0.97417660 0.64926505 0.00797742 1\n C C4 1 0.65164455 0.19694902 0.20249688 1\n C C5 1 1.02147249 0.93919692 0.20852953 1\n C C6 1 0.10199639 0.70974197 0.82188614 1\n C C7 1 0.80348989 0.64470920 0.34822356 1\n C C8 1 0.27266833 0.71371136 0.48158811 1\n C C9 1 0.05449226 0.41916125 0.62134184 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47782000\n_cell_length_b 2.47763000\n_cell_length_c 6.31097000\n_cell_angle_alpha 101.32302000\n_cell_angle_beta 101.30612000\n_cell_angle_gamma 59.99260000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67837682\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18851966 0.35800039 0.43904703 1\n C C1 1 0.65925232 0.82813075 0.85328999 1\n C C2 1 0.88268835 0.05208103 0.52208009 1\n C C3 1 0.96506592 0.13361170 0.76957303 1\n C C4 1 0.10451909 0.27493874 0.18820896 1\n C C5 1 0.74289756 0.91334599 0.10437699 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45334000\n_cell_length_b 5.83549000\n_cell_length_c 4.55883000\n_cell_angle_alpha 44.27679000\n_cell_angle_beta 74.56058000\n_cell_angle_gamma 77.97688000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.90451337\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40437704 0.39005737 0.09454427 1\n C C1 1 0.30712999 0.09050189 0.58755134 1\n C C2 1 0.87522530 0.58098486 0.96345224 1\n C C3 1 0.56756435 0.26627265 0.88757145 1\n C C4 1 0.13929227 0.21383901 0.79525228 1\n C C5 1 0.83823886 0.89965971 0.71767832 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48117000\n_cell_length_b 3.68901000\n_cell_length_c 4.21571000\n_cell_angle_alpha 104.76147000\n_cell_angle_beta 89.97345000\n_cell_angle_gamma 109.63058000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99051955\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44453536 0.16644509 1.00986994 1\n C C1 1 0.24328905 0.76783103 0.08469577 1\n C C2 1 0.12317364 0.52576705 0.71185343 1\n C C3 1 0.70197880 0.68303118 0.58105917 1\n C C4 1 0.92494561 0.12815960 0.78726455 1\n C C5 1 0.66533895 0.61167585 0.21608013 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31971000\n_cell_length_b 3.91729000\n_cell_length_c 3.78587000\n_cell_angle_alpha 91.91851000\n_cell_angle_beta 95.96846000\n_cell_angle_gamma 105.82149000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.01212598\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56648396 0.49846546 0.38638072 1\n C C1 1 0.36576892 0.65446024 0.68938783 1\n C C2 1 0.18046494 0.16593543 0.39737141 1\n C C3 1 0.66286914 0.60470669 1.02394806 1\n C C4 1 0.94068133 0.38915323 0.56906356 1\n C C5 1 0.74369498 0.24452387 0.87789622 1\n C C6 1 -0.00689414 0.98666811 0.03276008 1\n C C7 1 0.31409867 0.00618468 0.74428892 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44329000\n_cell_length_b 4.83218000\n_cell_length_c 6.64037000\n_cell_angle_alpha 84.59316000\n_cell_angle_beta 90.16909000\n_cell_angle_gamma 120.42997000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.20705493\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55324030 0.76869493 0.72662871 1\n C C1 1 0.56700167 0.28216504 0.64335910 1\n C C2 1 0.71972309 0.43491427 0.42779715 1\n C C3 1 0.73986838 0.96593070 0.08253761 1\n C C4 1 0.39829925 0.12371011 1.06694417 1\n C C5 1 0.75525516 0.47674274 0.01438859 1\n C C6 1 0.28070325 0.49653127 0.33193040 1\n C C7 1 -0.12876423 1.08594795 0.67388556 1\n C C8 1 0.38860838 0.60975542 0.11034097 1\n C C9 1 -0.13696885 0.57864108 0.77632573 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43268000\n_cell_length_b 4.63112000\n_cell_length_c 4.00626000\n_cell_angle_alpha 84.16621000\n_cell_angle_beta 89.83001000\n_cell_angle_gamma 105.62094000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.22076935\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65736474 0.88913895 1.07968042 1\n C C1 1 0.54400423 0.66356950 -0.13756479 1\n C C2 1 0.87747772 0.33093669 0.52781174 1\n C C3 1 0.32309901 0.22104484 0.41509909 1\n C C4 1 0.21180692 -0.00070894 0.19222557 1\n C C5 1 -0.01008713 0.55408745 0.74860507 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31139000\n_cell_length_b 4.79737000\n_cell_length_c 5.04256000\n_cell_angle_alpha 77.33462000\n_cell_angle_beta 80.00615000\n_cell_angle_gamma 70.65687000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.30046855\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73459453 0.37926867 0.16354460 1\n C C1 1 0.10961839 0.13637739 0.78166404 1\n C C2 1 0.49357009 0.98112827 0.40548822 1\n C C3 1 0.24729676 0.38135583 0.64562220 1\n C C4 1 0.73726483 0.88733668 0.16477567 1\n C C5 1 0.87300407 0.13321887 0.02756841 1\n C C6 1 0.49105298 0.28573115 0.40489564 1\n C C7 1 0.12506417 0.63452070 0.77213788 1\n C C8 1 0.85972526 0.63402340 1.03891473 1\n C C9 1 0.24946272 0.88912364 0.64710020 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47328000\n_cell_length_b 4.18334000\n_cell_length_c 4.79889000\n_cell_angle_alpha 115.71110000\n_cell_angle_beta 90.02122000\n_cell_angle_gamma 90.65882000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.73240650\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24956172 0.62710664 0.98595192 1\n C C1 1 0.24986447 -0.03881535 0.65290417 1\n C C2 1 0.74784397 0.75330957 0.49771174 1\n C C3 1 0.24815552 0.33063142 0.65312619 1\n C C4 1 0.24785216 -0.00327454 0.98619901 1\n C C5 1 0.75068946 0.20480509 0.14199899 1\n C C6 1 0.74868348 0.38342234 0.49819890 1\n C C7 1 0.74990473 0.57478252 0.14156717 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48270000\n_cell_length_b 4.26636000\n_cell_length_c 5.56876000\n_cell_angle_alpha 105.16606000\n_cell_angle_beta 90.00291000\n_cell_angle_gamma 90.00637000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.93047287\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74020253 0.44159445 0.78617041 1\n C C1 1 0.24020505 0.22505988 0.77792242 1\n C C2 1 0.24045265 0.54181240 0.16266531 1\n C C3 1 0.74041178 0.66167988 1.05234660 1\n C C4 1 0.24040162 0.00509826 0.51120164 1\n C C5 1 0.24057760 0.63920713 0.44587177 1\n C C6 1 0.24016137 0.17366527 1.03683361 1\n C C7 1 0.74053742 0.49334664 0.52737864 1\n C C8 1 0.74015600 1.02775977 0.11828385 1\n C C9 1 0.74035518 0.12498131 0.40095194 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43860000\n_cell_length_b 5.62564000\n_cell_length_c 6.40911000\n_cell_angle_alpha 96.51334000\n_cell_angle_beta 102.48717000\n_cell_angle_gamma 89.58263000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.27710004\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19830160 0.85883374 0.42471804 1\n C C1 1 0.79099549 0.44251159 1.01290808 1\n C C2 1 0.53872524 0.45912018 0.34736575 1\n C C3 1 0.15409427 0.37100788 0.67234484 1\n C C4 1 1.00659158 0.09151294 0.31635921 1\n C C5 1 0.70309528 0.71734673 0.08113426 1\n C C6 1 0.70731906 0.38796136 0.77866089 1\n C C7 1 -0.03303914 0.87270765 0.77511137 1\n C C8 1 0.35988064 0.34780456 0.11372622 1\n C C9 1 0.38508373 0.09068575 0.16645942 1\n C C10 1 0.65652796 0.72226798 0.33165168 1\n C C11 1 0.16935955 0.85208735 0.01229727 1\n C C12 1 1.07226778 0.34769108 0.43792481 1\n C C13 1 0.39723705 0.87648470 0.66608735 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38794000\n_cell_length_b 6.59669000\n_cell_length_c 5.99580000\n_cell_angle_alpha 128.18294000\n_cell_angle_beta 115.28082000\n_cell_angle_gamma 73.91392000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 95.22637880\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38487223 0.02866497 0.29015658 1\n C C1 1 0.48214581 0.36787478 0.09795825 1\n C C2 1 0.10317124 0.61286818 0.53601015 1\n C C3 1 0.85081918 0.80130816 0.48646209 1\n C C4 1 0.22980618 0.55636750 0.04830788 1\n C C5 1 0.81946725 0.49182557 0.80394434 1\n C C6 1 0.54502654 0.96408778 1.03408592 1\n C C7 1 -0.05225745 0.14094677 0.29478957 1\n C C8 1 0.51345774 0.67733260 0.78045723 1\n C C9 1 -0.21214356 0.20515522 0.55061112 1\n C C10 1 1.00874190 0.04742847 0.66390593 1\n C C11 1 0.32408670 0.12182544 0.92079171 1\n C C12 1 0.45735994 0.78794048 0.27212119 1\n C C13 1 0.87505869 0.38166897 0.31281353 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55055000\n_cell_length_b 2.43832000\n_cell_length_c 6.96461000\n_cell_angle_alpha 110.75043000\n_cell_angle_beta 78.85200000\n_cell_angle_gamma 89.89422000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.62243586\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84991404 0.99411746 0.21082538 1\n C C1 1 0.40540830 -0.10711861 0.10674708 1\n C C2 1 0.68265820 0.83248590 0.54790035 1\n C C3 1 0.57400675 0.05551154 0.76950988 1\n C C4 1 0.73381340 0.22255258 0.44004340 1\n C C5 1 0.52196062 0.66556903 0.87754162 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43310000\n_cell_length_b 4.85894000\n_cell_length_c 6.25195000\n_cell_angle_alpha 114.51262000\n_cell_angle_beta 79.85554000\n_cell_angle_gamma 120.20377000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.07084428\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.30568859 0.31842560 0.54826727 1\n C C1 1 1.30569851 0.81843888 0.54826659 1\n C C2 1 0.36755104 0.61851035 0.04784254 1\n C C3 1 0.70135787 0.95171084 1.04803976 1\n C C4 1 0.97192817 0.98534664 0.54815879 1\n C C5 1 0.36750043 0.11847708 0.04785330 1\n C C6 1 -0.02806128 0.48533739 0.54815665 1\n C C7 1 0.70125698 0.45159482 0.04803219 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50814000\n_cell_length_b 3.41766000\n_cell_length_c 6.78451000\n_cell_angle_alpha 111.92775000\n_cell_angle_beta 100.71469000\n_cell_angle_gamma 68.44988000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.09790699\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41639791 0.17171397 0.02623456 1\n C C1 1 0.81176026 0.27563764 0.92240640 1\n C C2 1 -0.08387974 0.67164724 0.52622908 1\n C C3 1 0.47519430 0.28371279 0.25844860 1\n C C4 1 1.07972577 0.17964038 0.36248751 1\n C C5 1 0.58003007 0.67976437 0.86250546 1\n C C6 1 1.31148723 0.77550373 0.42238779 1\n C C7 1 -0.02461010 0.78381327 0.75846101 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38786000\n_cell_length_b 5.16636000\n_cell_length_c 7.70928000\n_cell_angle_alpha 135.28743000\n_cell_angle_beta 76.51324000\n_cell_angle_gamma 104.91426000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.48371988\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95048792 0.47944473 0.42757512 1\n C C1 1 0.41858961 0.27151093 0.77077590 1\n C C2 1 0.44009758 1.00330312 0.02808365 1\n C C3 1 0.32864465 0.43182866 0.25007201 1\n C C4 1 0.48208626 -0.06852138 0.68582830 1\n C C5 1 0.56302974 0.86419852 0.13797821 1\n C C6 1 1.02073233 0.38106659 0.95103983 1\n C C7 1 0.14234132 0.64127362 0.80089024 1\n C C8 1 0.79322131 0.55440456 0.91643417 1\n C C9 1 -0.02499720 -0.05128058 0.40845841 1\n C C10 1 -0.27626733 1.14940205 0.38655624 1\n C C11 1 1.21807578 0.65251821 0.18398227 1\n C C12 1 0.32591571 0.25930058 0.58796430 1\n C C13 1 1.06656506 0.75669343 0.69064980 1\n C C14 1 0.68151682 0.68816012 0.43446654 1\n C C15 1 0.76035213 1.02626483 0.85816041 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48518000\n_cell_length_b 4.78214000\n_cell_length_c 6.81885000\n_cell_angle_alpha 136.72373000\n_cell_angle_beta 123.15814000\n_cell_angle_gamma 58.67910000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45086548\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60476099 0.19175867 0.85678297 1\n C C1 1 0.54211797 0.28588622 0.54472170 1\n C C2 1 0.12874644 0.52649512 0.42957408 1\n C C3 1 0.75102553 0.88911035 0.08609104 1\n C C4 1 0.87992074 0.41972794 0.85901277 1\n C C5 1 0.02618527 0.11707962 0.08832084 1\n C C6 1 0.50219983 0.78234317 0.51552973 1\n C C7 1 1.08882829 0.02295207 0.40038211 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48767000\n_cell_length_b 3.51518000\n_cell_length_c 4.97325000\n_cell_angle_alpha 90.00003000\n_cell_angle_beta 90.01203000\n_cell_angle_gamma 90.00159000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.48911992\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39306269 0.43438755 0.21897755 1\n C C1 1 0.89321210 0.93440206 -0.03102044 1\n C C2 1 -0.10666772 0.18522365 0.71898654 1\n C C3 1 0.39318287 0.68520914 0.96898452 1\n C C4 1 0.89321168 0.93440499 0.46898118 1\n C C5 1 0.39318329 0.68520621 0.46898290 1\n C C6 1 -0.10696515 0.18519142 0.21898160 1\n C C7 1 0.39336012 0.43441978 0.71898248 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43474000\n_cell_length_b 4.81826000\n_cell_length_c 4.22536000\n_cell_angle_alpha 89.38875000\n_cell_angle_beta 73.31080000\n_cell_angle_gamma 75.28079000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.81845527\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41120893 0.47639087 0.36625052 1\n C C1 1 0.11625132 1.01669136 0.41947563 1\n C C2 1 0.91829908 0.04534251 0.78391445 1\n C C3 1 0.21337945 0.50499565 0.73113867 1\n C C4 1 0.05645405 0.29230393 0.25910576 1\n C C5 1 0.35838534 0.75767774 0.19301495 1\n C C6 1 0.27297096 0.22895404 0.89174269 1\n C C7 1 0.97154397 0.76439050 -0.04277288 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39347000\n_cell_length_b 2.46041000\n_cell_length_c 5.31628000\n_cell_angle_alpha 89.98143000\n_cell_angle_beta 83.96688000\n_cell_angle_gamma 110.99952000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17527367\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66727634 0.95054446 0.88987072 1\n C C1 1 0.57906116 0.40212506 0.29253706 1\n C C2 1 0.38306395 0.80432748 0.41996030 1\n C C3 1 0.64355310 0.43916336 1.01683660 1\n C C4 1 0.92490833 0.57369705 0.48747767 1\n C C5 1 0.72965501 0.97706120 0.61391635 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48033000\n_cell_length_b 4.80562000\n_cell_length_c 5.95041000\n_cell_angle_alpha 107.25828000\n_cell_angle_beta 90.00859000\n_cell_angle_gamma 121.06874000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.98903134\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97518860 0.58403621 0.81849969 1\n C C1 1 0.37584023 -0.01815489 0.57904826 1\n C C2 1 0.64087289 0.24965556 0.81821843 1\n C C3 1 0.30993776 0.41732030 0.44612443 1\n C C4 1 1.00561732 0.61235612 0.57900727 1\n C C5 1 0.93855035 1.04410469 0.44614919 1\n C C6 1 0.68422654 0.78967178 0.19070788 1\n C C7 1 0.30919586 0.41639531 0.19070643 1\n C C8 1 0.24557416 -0.14813309 0.05775248 1\n C C9 1 0.61460919 0.22135021 0.05777544 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39617000\n_cell_length_b 4.78254000\n_cell_length_c 4.88920000\n_cell_angle_alpha 70.50109000\n_cell_angle_beta 77.32280000\n_cell_angle_gamma 53.13449000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.87001646\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03091336 0.13709996 0.11509393 1\n C C1 1 0.49742980 0.27551915 0.73331560 1\n C C2 1 -0.29369002 0.86117633 0.44867414 1\n C C3 1 0.83571560 0.74469070 0.98611488 1\n C C4 1 0.54824825 0.25092751 0.25914488 1\n C C5 1 0.32197786 0.54045675 0.43484777 1\n C C6 1 0.21345863 0.37110601 1.01591280 1\n C C7 1 0.49300925 -0.05681594 0.73639139 1\n C C8 1 1.00517412 0.01849066 0.86920216 1\n C C9 1 0.48245644 0.79454897 0.27185516 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43961000\n_cell_length_b 3.45641000\n_cell_length_c 11.38593000\n_cell_angle_alpha 109.08973000\n_cell_angle_beta 82.27991000\n_cell_angle_gamma 106.36302000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.96045942\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29814412 0.12996797 0.87346384 1\n C C1 1 0.20434355 0.30614908 0.48828093 1\n C C2 1 0.19473936 0.47784203 1.00017295 1\n C C3 1 0.24708716 0.59491906 0.61749702 1\n C C4 1 0.76130730 0.76956157 1.00062634 1\n C C5 1 0.42682739 0.44120601 0.27894924 1\n C C6 1 0.52306800 0.40182904 0.78468106 1\n C C7 1 0.86904713 0.86198277 0.61500231 1\n C C8 1 -0.04105784 0.20759383 0.08119385 1\n C C9 1 1.03990523 0.31742189 0.70289555 1\n C C10 1 0.93560318 0.36306369 0.21592422 1\n C C11 1 0.70888368 0.85714063 0.87352540 1\n C C12 1 0.40103386 0.60255947 0.41546443 1\n C C13 1 -0.02960822 0.86735208 0.47433265 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51307000\n_cell_length_b 4.40463000\n_cell_length_c 5.54381000\n_cell_angle_alpha 77.39391000\n_cell_angle_beta 85.12325000\n_cell_angle_gamma 84.12063000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.44670471\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29373540 0.23049911 0.47689740 1\n C C1 1 0.15986390 0.44739114 0.94461640 1\n C C2 1 0.35522479 0.56008052 0.50055790 1\n C C3 1 0.64241132 0.47782147 0.10244315 1\n C C4 1 0.23069369 0.67904825 0.70835224 1\n C C5 1 0.48951729 0.73724145 0.24136493 1\n C C6 1 0.22005574 0.99965676 0.71391690 1\n C C7 1 0.96453787 -0.05976689 0.17992950 1\n C C8 1 0.10621602 0.11781732 0.92150523 1\n C C9 1 -0.19080872 0.19990686 0.31839246 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42542000\n_cell_length_b 6.14663000\n_cell_length_c 4.15839000\n_cell_angle_alpha 70.52933000\n_cell_angle_beta 90.12212000\n_cell_angle_gamma 78.76872000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.17839110\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64152431 0.74499540 0.38608602 1\n C C1 1 0.73629764 0.55660287 0.70354854 1\n C C2 1 0.28542267 0.45883658 -0.15004663 1\n C C3 1 -0.04623807 0.13444280 0.62954488 1\n C C4 1 0.41212633 0.21040339 0.08682888 1\n C C5 1 0.43912592 0.16585262 0.45976003 1\n C C6 1 0.09455642 0.84197602 0.23849042 1\n C C7 1 -0.02892283 0.09042792 1.00165207 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28116000\n_cell_length_b 3.20040000\n_cell_length_c 5.10238000\n_cell_angle_alpha 113.48475000\n_cell_angle_beta 113.89134000\n_cell_angle_gamma 68.52028000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.57101123\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83831543 0.43567865 0.89703220 1\n C C1 1 0.27735394 0.49128551 0.39613465 1\n C C2 1 0.62681856 0.84153382 1.09151687 1\n C C3 1 0.24409496 0.22403494 0.09136296 1\n C C4 1 0.68362700 0.28048206 0.59039509 1\n C C5 1 0.89630171 0.87538173 0.39634933 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44684000\n_cell_length_b 4.68729000\n_cell_length_c 6.50604000\n_cell_angle_alpha 68.42784000\n_cell_angle_beta 93.51907000\n_cell_angle_gamma 84.91896000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.76242169\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55501989 0.25838850 0.50094709 1\n C C1 1 0.39839099 0.23168355 0.85358307 1\n C C2 1 0.95182424 0.16030848 0.20247092 1\n C C3 1 1.00592159 0.31865456 0.35913669 1\n C C4 1 0.32719534 0.92135428 0.82630420 1\n C C5 1 -0.10853737 0.68914798 0.56721383 1\n C C6 1 0.44821193 0.47008357 0.63337698 1\n C C7 1 0.91817201 0.64182229 0.19014820 1\n C C8 1 0.78858596 0.93079228 0.67943117 1\n C C9 1 -0.08698063 0.83813772 0.31809994 1\n C C10 1 0.38151727 0.64684833 0.04601548 1\n C C11 1 0.40358676 0.30021296 1.05357825 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51679000\n_cell_length_b 3.51593000\n_cell_length_c 3.31901000\n_cell_angle_alpha 90.04112000\n_cell_angle_beta 89.98963000\n_cell_angle_gamma 119.98343000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54661230\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50888473 0.36764440 0.14365800 1\n C C1 1 0.20429130 0.36762382 0.80937452 1\n C C2 1 0.43600935 -0.16857460 0.64343049 1\n C C3 1 0.74092652 0.13611206 0.97570058 1\n C C4 1 0.74087141 0.83156399 0.30925061 1\n C C5 1 0.20426960 0.06335363 0.47562500 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52720000\n_cell_length_b 4.71315000\n_cell_length_c 4.29642000\n_cell_angle_alpha 68.33296000\n_cell_angle_beta 85.03324000\n_cell_angle_gamma 78.11186000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.53602905\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46408419 0.42436248 0.43486145 1\n C C1 1 0.28331196 0.78238681 0.37815830 1\n C C2 1 0.56334761 0.31449620 0.13988963 1\n C C3 1 0.74632315 0.95576404 0.19610991 1\n C C4 1 0.02939034 0.43466527 -0.07602780 1\n C C5 1 1.08791205 0.75656469 0.73096489 1\n C C6 1 0.99786368 0.30511837 0.65054229 1\n C C7 1 0.94282462 -0.01725187 0.84325384 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25481000\n_cell_length_b 4.73938000\n_cell_length_c 6.44173000\n_cell_angle_alpha 99.64281000\n_cell_angle_beta 86.41234000\n_cell_angle_gamma 91.78310000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 97.75126355\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41552618 0.59476246 0.09586044 1\n C C1 1 0.32128545 0.64856744 0.32277617 1\n C C2 1 0.29960593 0.93575119 0.43179661 1\n C C3 1 0.08781798 0.48680633 0.64642861 1\n C C4 1 0.34933991 0.74210940 0.75340702 1\n C C5 1 0.35388935 -0.00986487 0.64311369 1\n C C6 1 0.68230345 0.51612162 0.76195105 1\n C C7 1 1.18508880 0.43347718 0.41995688 1\n C C8 1 1.20596864 0.14641701 0.30949069 1\n C C9 1 0.14881129 0.09160759 1.09885714 1\n C C10 1 0.82115189 0.56581540 -0.01892338 1\n C C11 1 0.33092296 0.28411709 0.75560714 1\n C C12 1 0.15346856 0.33950236 0.98882078 1\n C C13 1 0.17200373 0.79745741 0.98692086 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43124000\n_cell_length_b 4.20367000\n_cell_length_c 6.05061000\n_cell_angle_alpha 110.58940000\n_cell_angle_beta 97.20679000\n_cell_angle_gamma 89.82247000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.37473016\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79919910 0.44304371 0.64594592 1\n C C1 1 0.79971984 0.11051348 0.64647253 1\n C C2 1 0.39727369 0.57201496 0.14581917 1\n C C3 1 0.89675238 0.40454414 0.14528725 1\n C C4 1 0.39680392 0.90453643 0.14528314 1\n C C5 1 0.29966205 0.61048905 0.64643727 1\n C C6 1 0.29924691 0.94303508 0.64594383 1\n C C7 1 0.89732832 1.07201604 0.14582540 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46658000\n_cell_length_b 6.03323000\n_cell_length_c 7.04160000\n_cell_angle_alpha 67.47565000\n_cell_angle_beta 83.34663000\n_cell_angle_gamma 72.39797000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.26355572\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17235213 0.35752955 0.21014269 1\n C C1 1 0.90547238 0.41765437 0.39853640 1\n C C2 1 0.44529383 1.07695926 0.32055199 1\n C C3 1 0.85160491 0.22703435 0.96548137 1\n C C4 1 0.12565208 0.94656579 0.07588528 1\n C C5 1 0.38482250 0.88704287 0.88743045 1\n C C6 1 0.67604963 0.41188485 0.07351585 1\n C C7 1 0.97433777 1.00444345 0.45458931 1\n C C8 1 0.71497213 0.66146765 0.41797949 1\n C C9 1 0.39052659 0.13232726 0.71121898 1\n C C10 1 0.31835544 0.30033926 0.83143512 1\n C C11 1 0.57780842 0.64268925 0.86912938 1\n C C12 1 0.14991524 0.58636188 0.75816386 1\n C C13 1 0.89621114 0.17336174 0.57393068 1\n C C14 1 0.62231667 0.89208113 0.21257501 1\n C C15 1 0.14171555 0.71797745 0.52910052 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54115000\n_cell_length_b 5.58095000\n_cell_length_c 7.15370000\n_cell_angle_alpha 90.94477000\n_cell_angle_beta 84.25439000\n_cell_angle_gamma 101.89856000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 98.77453945\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39538080 0.86913403 0.89247277 1\n C C1 1 0.47379336 0.86482050 0.58086553 1\n C C2 1 0.68180620 0.45009311 0.91990035 1\n C C3 1 0.52734375 0.05059291 0.73339652 1\n C C4 1 0.83220189 0.45677459 0.57649778 1\n C C5 1 0.67279375 0.30014309 0.73552361 1\n C C6 1 -0.04885249 0.39283456 0.38765680 1\n C C7 1 0.41685408 0.97808738 0.07884758 1\n C C8 1 0.96641265 0.13545936 0.11698383 1\n C C9 1 0.83424245 0.71650922 0.84947434 1\n C C10 1 0.84219400 0.15722930 0.32118459 1\n C C11 1 0.54044866 0.93737003 0.38812958 1\n C C12 1 0.35309255 0.79500610 0.23412291 1\n C C13 1 0.14477225 0.54675326 0.22556686 1\n C C14 1 0.12317481 0.39816106 0.04155219 1\n C C15 1 0.90109989 0.71319210 0.63369145 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42585000\n_cell_length_b 6.34600000\n_cell_length_c 4.15468000\n_cell_angle_alpha 69.09881000\n_cell_angle_beta 89.79374000\n_cell_angle_gamma 78.67217000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.43184702\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85793660 0.37326819 0.92940887 1\n C C1 1 0.39034169 0.29922293 0.47519056 1\n C C2 1 0.41684534 0.25690784 0.84815528 1\n C C3 1 0.18795098 0.71738548 0.54329299 1\n C C4 1 0.54152984 0.01251671 0.08752422 1\n C C5 1 0.87703673 0.32869877 0.30418787 1\n C C6 1 0.09121034 0.91290112 0.23117782 1\n C C7 1 0.73592048 0.61820066 0.68770288 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46156000\n_cell_length_b 3.35590000\n_cell_length_c 4.91646000\n_cell_angle_alpha 102.49379000\n_cell_angle_beta 114.55404000\n_cell_angle_gamma 104.46666000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.32280824\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57638525 0.90319406 0.44917961 1\n C C1 1 0.31145389 0.76165799 0.89351657 1\n C C2 1 0.60116886 0.65649901 0.68314208 1\n C C3 1 0.15745878 0.17662579 0.44899426 1\n C C4 1 0.75517862 0.24233752 1.12744071 1\n C C5 1 0.33641850 0.51594204 0.12746167 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42774000\n_cell_length_b 4.23231000\n_cell_length_c 5.72264000\n_cell_angle_alpha 47.41924000\n_cell_angle_beta 90.06135000\n_cell_angle_gamma 90.04804000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.29572078\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90503388 0.59859487 0.30730418 1\n C C1 1 0.40710222 0.73843918 0.73757229 1\n C C2 1 -0.09302280 0.59950181 0.71922644 1\n C C3 1 0.40496405 0.73756986 0.15005777 1\n C C4 1 0.90608448 0.30920130 0.65859251 1\n C C5 1 0.40602228 1.02856088 0.79878341 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42411000\n_cell_length_b 4.20229000\n_cell_length_c 4.20294000\n_cell_angle_alpha 88.49032000\n_cell_angle_beta 89.78590000\n_cell_angle_gamma 90.25135000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.79897364\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70651143 1.02584561 0.54928107 1\n C C1 1 0.70574150 0.37298541 0.60916053 1\n C C2 1 0.70569453 0.96746164 0.20161880 1\n C C3 1 0.20586915 0.93308590 0.04754275 1\n C C4 1 0.20518412 0.87464778 0.69990970 1\n C C5 1 0.20602707 0.52749535 0.64021284 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42932000\n_cell_length_b 4.84018000\n_cell_length_c 4.86457000\n_cell_angle_alpha 75.74501000\n_cell_angle_beta 60.01882000\n_cell_angle_gamma 60.08619000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.94448773\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94172350 0.99730764 0.65474268 1\n C C1 1 0.85063464 1.08554832 0.15861693 1\n C C2 1 0.03387543 0.49266361 0.56659640 1\n C C3 1 0.44317969 0.14443379 0.50662637 1\n C C4 1 0.35020414 0.64864070 0.59625948 1\n C C5 1 0.53280039 0.05791654 0.00239034 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56482000\n_cell_length_b 2.47958000\n_cell_length_c 5.72807000\n_cell_angle_alpha 102.46896000\n_cell_angle_beta 89.43307000\n_cell_angle_gamma 90.01773000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.56762926\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11818305 0.72011080 0.57822436 1\n C C1 1 0.61397001 0.95233288 0.03811076 1\n C C2 1 0.62364139 1.06708372 0.27328413 1\n C C3 1 0.11511910 0.29780282 0.73255860 1\n C C4 1 0.61247066 0.37922941 0.89300570 1\n C C5 1 0.62339869 0.63921588 0.41754095 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45328000\n_cell_length_b 6.81103000\n_cell_length_c 5.59173000\n_cell_angle_alpha 101.67114000\n_cell_angle_beta 89.99741000\n_cell_angle_gamma 68.89823000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.09455195\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65383866 0.50849334 0.17264395 1\n C C1 1 -0.18847638 0.85054152 0.34579513 1\n C C2 1 0.20454661 0.95880560 0.37473691 1\n C C3 1 0.69086662 0.47446654 0.89519165 1\n C C4 1 0.70768488 0.95460278 0.89188672 1\n C C5 1 1.30771573 0.85405523 -0.17143587 1\n C C6 1 0.33069729 0.33396125 0.82358300 1\n C C7 1 -0.09897880 0.26082716 0.16197337 1\n C C8 1 0.54025389 0.62413214 0.71158004 1\n C C9 1 0.11661296 0.54824449 0.55698309 1\n C C10 1 0.96421869 0.19986016 0.41213027 1\n C C11 1 0.05268902 0.60942195 0.30685416 1\n C C12 1 0.47725793 0.18469524 0.00809204 1\n C C13 1 0.36422740 0.30067428 0.54514155 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04508000\n_cell_length_b 4.20862000\n_cell_length_c 4.86853000\n_cell_angle_alpha 81.62205000\n_cell_angle_beta 71.49606000\n_cell_angle_gamma 76.40218000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.33769345\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73758085 0.09470358 0.64426155 1\n C C1 1 0.98207855 0.92929152 0.39318886 1\n C C2 1 -0.01599634 0.59533173 0.39380802 1\n C C3 1 1.23575206 0.09498070 0.14400084 1\n C C4 1 -0.26451058 0.42865027 0.64366462 1\n C C5 1 1.23382876 0.42902395 0.14338643 1\n C C6 1 0.48697306 0.92842403 0.89380800 1\n C C7 1 0.48884365 0.59442971 0.89442878 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43149000\n_cell_length_b 3.04736000\n_cell_length_c 6.41818000\n_cell_angle_alpha 109.96884000\n_cell_angle_beta 101.12347000\n_cell_angle_gamma 80.54579000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.60722572\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37649276 0.54556065 -0.03162536 1\n C C1 1 1.15505630 0.53743521 0.52218102 1\n C C2 1 0.04379839 0.53649452 0.30016155 1\n C C3 1 0.71055198 0.54122345 0.63462932 1\n C C4 1 0.48769144 0.53972290 0.18934276 1\n C C5 1 0.82078264 0.54593827 0.85711502 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47299000\n_cell_length_b 3.28780000\n_cell_length_c 6.91824000\n_cell_angle_alpha 61.60461000\n_cell_angle_beta 100.29566000\n_cell_angle_gamma 112.12397000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.83913861\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67018461 0.68883945 0.69135369 1\n C C1 1 0.35077502 0.73018417 1.01129187 1\n C C2 1 0.48871970 0.50797756 0.51125077 1\n C C3 1 0.85039563 0.22963857 0.51131892 1\n C C4 1 0.17037188 0.18872612 0.19136091 1\n C C5 1 0.17005222 0.54965331 0.83071294 1\n C C6 1 0.98912173 0.00858309 1.01118594 1\n C C7 1 0.66991812 0.04903774 0.33071965 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48194000\n_cell_length_b 3.68924000\n_cell_length_c 4.21535000\n_cell_angle_alpha 104.73888000\n_cell_angle_beta 89.97421000\n_cell_angle_gamma 109.64593000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00104466\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91589878 0.49736911 0.12606960 1\n C C1 1 0.65637443 0.98142871 0.55430741 1\n C C2 1 0.33813199 0.34172316 0.25739316 1\n C C3 1 0.87983019 0.42667546 0.76083019 1\n C C4 1 0.13695943 -0.05698805 0.33192588 1\n C C5 1 0.45864859 0.58402232 0.63016896 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48370000\n_cell_length_b 3.82440000\n_cell_length_c 5.22687000\n_cell_angle_alpha 98.96565000\n_cell_angle_beta 89.90859000\n_cell_angle_gamma 71.02498000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.30410420\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36126193 0.49483593 0.16629317 1\n C C1 1 0.56324872 1.09117920 1.10699043 1\n C C2 1 -0.01255229 0.24000863 0.49351157 1\n C C3 1 0.59964619 0.01769617 0.38653183 1\n C C4 1 0.11207295 0.99684492 0.94216367 1\n C C5 1 0.93768892 0.34625761 0.78027567 1\n C C6 1 0.32521954 0.56924549 0.88690002 1\n C C7 1 0.81238505 0.58950156 0.33146814 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.77315000\n_cell_length_b 4.58008000\n_cell_length_c 6.94692000\n_cell_angle_alpha 91.37930000\n_cell_angle_beta 97.63212000\n_cell_angle_gamma 86.01870000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 118.68796196\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54006543 0.23107408 0.76233356 1\n C C1 1 0.70969236 0.51105614 0.47948293 1\n C C2 1 0.64523953 0.34951415 0.11889135 1\n C C3 1 0.23902315 0.74254195 0.92237104 1\n C C4 1 0.08764256 0.87235385 0.60767321 1\n C C5 1 0.15812077 0.88764364 0.10434475 1\n C C6 1 0.34120091 0.14889148 0.39032334 1\n C C7 1 1.01420780 0.75852302 0.26566849 1\n C C8 1 0.87886536 0.65674741 0.63513946 1\n C C9 1 0.34653771 0.17500375 0.17943720 1\n C C10 1 -0.04936912 0.22563540 0.84967001 1\n C C11 1 0.24251704 0.01773219 0.78397980 1\n C C12 1 0.13596523 0.92583941 0.42493228 1\n C C13 1 0.54802561 0.51504210 0.91801491 1\n C C14 1 -0.08811802 0.56370727 0.83738127 1\n C C15 1 0.77235644 0.55268588 0.28547379 1\n C C16 1 0.97489539 0.18034508 0.06202672 1\n C C17 1 0.51444274 0.29468699 0.54210088 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47999000\n_cell_length_b 2.47997000\n_cell_length_c 8.30020000\n_cell_angle_alpha 81.39763000\n_cell_angle_beta 81.40548000\n_cell_angle_gamma 59.97432000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.53460701\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39030699 0.17595975 0.83779748 1\n C C1 1 0.32870017 0.11396543 0.02382343 1\n C C2 1 0.55795730 0.34344593 0.33488628 1\n C C3 1 -0.02576506 0.75975079 0.08609483 1\n C C4 1 0.91262963 0.69782398 0.27203600 1\n C C5 1 0.80750575 0.59291675 0.58655761 1\n C C6 1 0.74487172 0.53029480 0.77520102 1\n C C7 1 0.49562500 0.28074177 0.52339025 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.10113000\n_cell_length_b 4.42808000\n_cell_length_c 4.93388000\n_cell_angle_alpha 86.34029000\n_cell_angle_beta 109.85463000\n_cell_angle_gamma 114.88418000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.55987097\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70163679 0.68751639 -0.05614023 1\n C C1 1 0.45142538 0.18731309 0.19368292 1\n C C2 1 0.28471108 0.52099367 0.69414919 1\n C C3 1 0.20269812 0.68738116 0.44351196 1\n C C4 1 0.53457347 0.02082516 0.44408709 1\n C C5 1 0.78331623 0.52074254 0.19423793 1\n C C6 1 0.95278568 0.18758363 0.69368809 1\n C C7 1 0.03352625 1.02089365 0.94428265 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48458000\n_cell_length_b 4.67718000\n_cell_length_c 4.08679000\n_cell_angle_alpha 83.30648000\n_cell_angle_beta 89.99600000\n_cell_angle_gamma 74.54562000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.43887921\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22192781 0.26404256 0.72882366 1\n C C1 1 0.95337945 0.80525393 0.79008924 1\n C C2 1 0.89460805 0.92101489 0.43439487 1\n C C3 1 0.11253135 0.49027722 -0.02843835 1\n C C4 1 0.38093832 -0.05102840 0.90962755 1\n C C5 1 0.72280073 0.26220454 0.50357458 1\n C C6 1 0.61137643 0.49261777 0.19685710 1\n C C7 1 0.43926136 0.83435390 0.26530095 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.52533000\n_cell_length_b 4.43105000\n_cell_length_c 6.06282000\n_cell_angle_alpha 78.21255000\n_cell_angle_beta 68.79716000\n_cell_angle_gamma 84.96742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.42378973\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01275908 1.08176681 0.71581355 1\n C C1 1 0.55217122 1.01363703 0.89015284 1\n C C2 1 0.38591940 0.51191983 0.35377403 1\n C C3 1 1.03680080 0.74154411 0.69098121 1\n C C4 1 0.37476865 0.53496714 0.73903111 1\n C C5 1 0.09943062 0.06672788 0.29560842 1\n C C6 1 0.90919274 0.18980896 0.11049505 1\n C C7 1 0.52036989 0.10669345 0.11773813 1\n C C8 1 1.03562135 0.74252989 0.43185367 1\n C C9 1 0.20693817 0.20393169 0.85239637 1\n C C10 1 0.02842102 0.27168692 0.47616792 1\n C C11 1 0.60541282 0.66265540 0.87714811 1\n C C12 1 0.68259483 0.51974231 0.48813418 1\n C C13 1 0.59645836 0.44714027 0.10462810 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48783000\n_cell_length_b 4.97577000\n_cell_length_c 5.55953000\n_cell_angle_alpha 102.92281000\n_cell_angle_beta 116.55254000\n_cell_angle_gamma 120.03838000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.49849173\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18004233 0.29427832 0.88842888 1\n C C1 1 1.05406820 0.04393875 1.01308446 1\n C C2 1 0.67809160 0.29361640 0.38806570 1\n C C3 1 0.55367962 0.04405488 0.51350738 1\n C C4 1 0.17932892 0.79388521 0.88809904 1\n C C5 1 0.55296621 0.54366178 0.51317755 1\n C C6 1 1.05491694 0.54432369 1.01354072 1\n C C7 1 0.67894034 0.79400135 0.38852196 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48924000\n_cell_length_b 6.21225000\n_cell_length_c 6.22283000\n_cell_angle_alpha 75.67479000\n_cell_angle_beta 89.98773000\n_cell_angle_gamma 78.39857000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.20712932\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08022035 0.39507483 0.28030399 1\n C C1 1 0.30185907 0.95273650 0.15044663 1\n C C2 1 0.61900269 0.32352217 0.62642263 1\n C C3 1 0.65261903 0.25008342 0.28154976 1\n C C4 1 0.72297025 0.10994421 0.10397935 1\n C C5 1 0.38016550 0.80151421 0.77713516 1\n C C6 1 0.62053968 0.32008179 0.88480514 1\n C C7 1 0.71879821 0.12264535 0.52556403 1\n C C8 1 -0.05762583 0.68006526 0.73004753 1\n C C9 1 1.05741838 0.44459334 0.50543400 1\n C C10 1 0.40079163 0.75198032 0.03533612 1\n C C11 1 0.04846855 0.46317743 0.90028165 1\n C C12 1 0.36825558 0.82943384 0.40266391 1\n C C13 1 0.28764997 0.98674622 0.56720759 1\n C C14 1 0.97981597 0.59367641 0.08610547 1\n C C15 1 0.93843817 0.69027260 0.48782503 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.13512000\n_cell_length_b 4.15419000\n_cell_length_c 5.78298000\n_cell_angle_alpha 90.53391000\n_cell_angle_beta 77.24076000\n_cell_angle_gamma 65.50188000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.59349603\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92999669 0.08271603 0.10705510 1\n C C1 1 0.73976772 0.90184368 0.74161664 1\n C C2 1 0.65768610 0.64119499 0.40085411 1\n C C3 1 0.34011652 0.96659604 0.40489771 1\n C C4 1 0.41238819 0.58372808 0.09000574 1\n C C5 1 0.87403200 0.59272759 0.56642687 1\n C C6 1 0.27630751 0.53017534 0.90109451 1\n C C7 1 0.20833414 0.91493289 0.21314415 1\n C C8 1 0.95929978 0.85473265 0.90528415 1\n C C9 1 0.68648852 0.41415856 0.19881644 1\n C C10 1 0.19953470 0.26871001 0.56954314 1\n C C11 1 0.41465732 0.22605434 0.73862614 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50661000\n_cell_length_b 4.95051000\n_cell_length_c 6.85280000\n_cell_angle_alpha 93.42841000\n_cell_angle_beta 86.15824000\n_cell_angle_gamma 55.15191000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.12860454\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32303820 0.95139085 0.31634631 1\n C C1 1 0.71248606 0.05134122 0.66955470 1\n C C2 1 0.14805537 0.41894586 0.69358732 1\n C C3 1 0.87726883 0.41944820 0.03410360 1\n C C4 1 0.26066219 0.46177441 0.33486247 1\n C C5 1 -0.06379449 0.88689014 0.87052848 1\n C C6 1 -0.04379754 0.56904786 0.53628637 1\n C C7 1 0.62592736 0.18647233 1.03274636 1\n C C8 1 0.64951766 0.59450775 0.24412071 1\n C C9 1 0.38253061 -0.07862800 0.54832515 1\n C C10 1 0.70545599 0.65131156 0.87481550 1\n C C11 1 0.66257406 0.11304202 0.25186854 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44173000\n_cell_length_b 4.20042000\n_cell_length_c 8.81505000\n_cell_angle_alpha 73.04120000\n_cell_angle_beta 90.01697000\n_cell_angle_gamma 89.99487000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.47822762\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65666319 0.82058747 0.46940944 1\n C C1 1 0.17461251 0.10987092 0.21273994 1\n C C2 1 0.18264151 0.45335796 0.22522669 1\n C C3 1 0.65955738 0.45013702 0.79365327 1\n C C4 1 0.15862334 0.52642067 0.71443915 1\n C C5 1 0.64982474 0.12965148 0.51584329 1\n C C6 1 0.66419991 0.28044068 0.95752612 1\n C C7 1 0.67391728 0.91310683 0.28209939 1\n C C8 1 0.15546061 0.62397808 0.53865821 1\n C C9 1 0.68272429 0.60473120 0.23504898 1\n C C10 1 0.16560812 0.20576139 1.03694074 1\n C C11 1 0.14981542 0.28113589 0.52525149 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48321000\n_cell_length_b 5.74572000\n_cell_length_c 9.96518000\n_cell_angle_alpha 86.91218000\n_cell_angle_beta 75.55848000\n_cell_angle_gamma 77.51943000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 134.43525621\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26548576 0.19870867 0.72244811 1\n C C1 1 -0.18496837 0.86227254 0.83889923 1\n C C2 1 0.28714768 0.48297699 0.05771775 1\n C C3 1 0.53696960 0.15438206 0.47244528 1\n C C4 1 0.04820771 0.86234020 0.60658954 1\n C C5 1 0.09107161 0.71489934 0.13711756 1\n C C6 1 -0.21246002 0.48278569 0.55771285 1\n C C7 1 0.91959831 0.71474439 0.30762606 1\n C C8 1 0.82958930 0.33521331 0.08888980 1\n C C9 1 0.11501390 -0.00165079 0.47248597 1\n C C10 1 1.06079676 0.33492748 0.85661743 1\n C C11 1 1.34219711 0.04307621 0.22243880 1\n C C12 1 0.59195888 0.71469635 0.63707418 1\n C C13 1 0.95635630 0.48279477 0.38711342 1\n C C14 1 -0.15671573 0.04286102 0.72240648 1\n C C15 1 0.33009844 0.33499532 0.58886606 1\n C C16 1 1.31414799 0.86236649 0.33888098 1\n C C17 1 -0.45259857 0.86257568 1.10664975 1\n C C18 1 0.61503667 0.99845238 0.97250713 1\n C C19 1 1.03697998 0.15449673 0.97247132 1\n C C20 1 0.42056180 0.71465569 0.80762408 1\n C C21 1 0.56028110 0.33496016 0.35663672 1\n C C22 1 0.76450686 0.19891581 0.22246941 1\n C C23 1 0.45681883 0.48278301 0.88709759 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43232000\n_cell_length_b 4.32921000\n_cell_length_c 4.22785000\n_cell_angle_alpha 97.06093000\n_cell_angle_beta 97.40977000\n_cell_angle_gamma 81.27328000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.39321636\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37286379 0.87283963 0.78503380 1\n C C1 1 0.26196769 0.09528481 0.56404701 1\n C C2 1 0.59530489 0.42859319 0.23070666 1\n C C3 1 0.92863824 0.76187207 -0.10268790 1\n C C4 1 0.70619324 0.20625237 0.45176871 1\n C C5 1 0.03952659 0.53953125 1.11837415 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44321000\n_cell_length_b 4.19672000\n_cell_length_c 6.50111000\n_cell_angle_alpha 109.99374000\n_cell_angle_beta 100.79919000\n_cell_angle_gamma 89.98485000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.38486097\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20084166 0.86524555 0.56899312 1\n C C1 1 0.87171443 0.84315344 0.90499483 1\n C C2 1 0.72008197 0.39303332 0.61659159 1\n C C3 1 0.08109259 0.77710685 0.32270158 1\n C C4 1 0.42550122 0.83346444 0.01056430 1\n C C5 1 0.52809534 0.78453795 0.21661868 1\n C C6 1 0.74536223 0.76015996 0.65923528 1\n C C7 1 0.21446496 0.23052908 0.60622152 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48480000\n_cell_length_b 4.08799000\n_cell_length_c 4.67756000\n_cell_angle_alpha 96.69793000\n_cell_angle_beta 105.48545000\n_cell_angle_gamma 90.03306000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45156479\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.21329782 0.21894008 0.24147540 1\n C C1 1 0.50025153 0.98043949 0.66912489 1\n C C2 1 0.67170654 0.91275305 0.01087141 1\n C C3 1 0.17289316 0.68615646 0.01282947 1\n C C4 1 0.44450707 0.62488214 0.55408598 1\n C C5 1 1.01655186 0.50660609 0.69796303 1\n C C6 1 0.28579127 0.44370128 0.23913061 1\n C C7 1 0.95723580 0.15067792 0.58302272 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47608000\n_cell_length_b 4.80693000\n_cell_length_c 4.80735000\n_cell_angle_alpha 51.64832000\n_cell_angle_beta 90.25578000\n_cell_angle_gamma 89.74067000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.86951247\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36233347 0.95311971 -0.10483345 1\n C C1 1 0.86101324 1.00569367 0.68727533 1\n C C2 1 0.36089197 0.58375625 1.26475038 1\n C C3 1 0.86059206 0.82775375 0.50872455 1\n C C4 1 0.36199523 0.61984981 0.56130977 1\n C C5 1 0.86190522 0.37586259 0.31732550 1\n C C6 1 0.86153419 0.19789551 0.13864458 1\n C C7 1 0.36060553 0.25027742 0.93081603 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43482000\n_cell_length_b 6.32951000\n_cell_length_c 8.36994000\n_cell_angle_alpha 77.40232000\n_cell_angle_beta 98.77183000\n_cell_angle_gamma 89.10460000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 124.25324164\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02882558 0.26192981 0.85874625 1\n C C1 1 0.19619893 0.01493067 0.23820952 1\n C C2 1 1.10227533 0.79919733 1.04600263 1\n C C3 1 0.21417617 0.40142959 0.33682066 1\n C C4 1 0.82475656 0.13827061 0.55103974 1\n C C5 1 0.66910641 0.35633494 0.24076753 1\n C C6 1 0.19372126 -0.20894470 0.22453732 1\n C C7 1 0.84603912 0.75744677 0.58483365 1\n C C8 1 0.45648100 0.17354630 0.82284566 1\n C C9 1 -0.43200734 0.41435620 0.05661385 1\n C C10 1 0.55479086 0.83035024 0.96141942 1\n C C11 1 0.69066236 0.11993914 0.23910304 1\n C C12 1 0.45101949 0.95028674 0.78535284 1\n C C13 1 0.31318569 0.69978393 0.52235491 1\n C C14 1 0.89717404 0.93178958 0.68385686 1\n C C15 1 0.29266560 0.22840214 0.49235238 1\n C C16 1 0.23079445 0.62465274 0.36371097 1\n C C17 1 1.02845866 0.39035945 0.97799548 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52073000\n_cell_length_b 5.25870000\n_cell_length_c 4.58386000\n_cell_angle_alpha 103.32061000\n_cell_angle_beta 89.94767000\n_cell_angle_gamma 90.03061000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.12778075\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40699960 0.22730004 0.37555313 1\n C C1 1 0.40685633 0.04933883 0.58084078 1\n C C2 1 0.90670426 0.39753101 0.47377452 1\n C C3 1 0.40607127 0.25655314 0.85801367 1\n C C4 1 -0.09481476 0.90848133 -0.03341489 1\n C C5 1 0.40590362 0.07967644 0.06430717 1\n C C6 1 0.90626225 0.89211884 0.60589426 1\n C C7 1 -0.09502120 0.65960876 0.07340041 1\n C C8 1 0.90600256 0.41412109 0.83289219 1\n C C9 1 -0.09383532 0.64563951 0.36462574 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.76492000\n_cell_length_b 4.63398000\n_cell_length_c 4.29902000\n_cell_angle_alpha 80.53951000\n_cell_angle_beta 105.39666000\n_cell_angle_gamma 124.58557000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.52360950\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.18417826 0.12839308 0.57740871 1\n C C1 1 0.25599250 0.75147415 1.19433558 1\n C C2 1 0.89477758 0.52223881 -0.03550304 1\n C C3 1 0.35382342 -0.01963697 0.42638551 1\n C C4 1 0.97818905 0.97345733 0.43120665 1\n C C5 1 0.51932146 0.51575965 -0.03085993 1\n C C6 1 0.61747050 0.74549681 0.19986448 1\n C C7 1 1.05698815 0.36753934 0.81747403 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.42438000\n_cell_length_b 4.32535000\n_cell_length_c 4.83101000\n_cell_angle_alpha 88.53038000\n_cell_angle_beta 89.95232000\n_cell_angle_gamma 78.84085000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 90.67242481\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65818303 0.19048459 0.45866874 1\n C C1 1 0.06323596 0.75173686 0.45654744 1\n C C2 1 0.68496729 0.85583757 0.96444827 1\n C C3 1 0.56419305 0.71191363 0.21804288 1\n C C4 1 0.70975784 0.83720334 0.46372635 1\n C C5 1 0.72431392 0.33741049 0.72401728 1\n C C6 1 0.59074295 0.69197509 0.71723658 1\n C C7 1 1.04256392 0.87647085 -0.04848827 1\n C C8 1 0.24970726 0.34828266 0.84340714 1\n C C9 1 0.02450601 0.20031905 0.83690179 1\n C C10 1 0.23221016 0.67247164 0.72727562 1\n C C11 1 0.61217462 0.35823304 0.22286657 1\n C C12 1 0.55031512 0.21124544 0.95662622 1\n C C13 1 0.21095437 0.79942365 0.22271638 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51163000\n_cell_length_b 4.19264000\n_cell_length_c 4.11093000\n_cell_angle_alpha 119.36436000\n_cell_angle_beta 89.90349000\n_cell_angle_gamma 107.81231000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.34065887\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10269038 0.85425216 0.43428208 1\n C C1 1 0.29240900 0.24226155 0.14749038 1\n C C2 1 1.10223137 0.85441982 0.10401706 1\n C C3 1 0.90648430 0.46621981 0.75980487 1\n C C4 1 0.29240582 0.24228181 0.77849502 1\n C C5 1 0.90628732 0.46581195 0.39026599 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44210000\n_cell_length_b 8.20016000\n_cell_length_c 6.25806000\n_cell_angle_alpha 77.34210000\n_cell_angle_beta 101.27065000\n_cell_angle_gamma 72.60962000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 112.01061009\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10433199 0.78687728 -0.05754275 1\n C C1 1 0.52208354 0.21630526 0.62908849 1\n C C2 1 0.54235279 0.95618833 0.15505539 1\n C C3 1 0.62710756 0.31777865 1.04257820 1\n C C4 1 0.60559593 0.58413332 0.53154669 1\n C C5 1 0.88060658 0.18204869 0.27975903 1\n C C6 1 0.02216516 1.01216144 0.22192867 1\n C C7 1 0.24350485 0.61811042 0.88199467 1\n C C8 1 0.03595286 0.33714357 0.89959299 1\n C C9 1 0.58354820 0.84267059 0.00960464 1\n C C10 1 0.09093843 0.46313265 0.26116965 1\n C C11 1 0.37672866 0.23776417 0.38308228 1\n C C12 1 0.50013130 0.48211431 0.11862067 1\n C C13 1 0.74774457 0.56269488 0.77824621 1\n C C14 1 0.08046594 0.56013105 0.43364290 1\n C C15 1 1.04578687 0.24089577 0.72646746 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48207000\n_cell_length_b 6.44153000\n_cell_length_c 7.48203000\n_cell_angle_alpha 86.70401000\n_cell_angle_beta 70.61127000\n_cell_angle_gamma 78.88209000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 110.72047046\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67210305 0.03465046 0.20023664 1\n C C1 1 0.78736972 0.99789814 0.60644449 1\n C C2 1 0.16797315 0.54439070 0.45127324 1\n C C3 1 0.43976821 0.71941920 0.09199832 1\n C C4 1 0.54099295 0.16116394 0.77134497 1\n C C5 1 0.83586974 0.18584733 0.46118792 1\n C C6 1 0.03133810 0.28189296 0.72034680 1\n C C7 1 0.84050152 0.83894297 0.13094344 1\n C C8 1 0.24921489 0.34068521 0.97006153 1\n C C9 1 1.02540738 0.37686007 0.17661866 1\n C C10 1 0.06054244 0.14635167 0.25512547 1\n C C11 1 0.28342853 0.70552706 0.75600357 1\n C C12 1 0.21885333 0.31245973 0.51487697 1\n C C13 1 0.35180893 0.86931981 0.60660004 1\n C C14 1 0.53423539 0.64542112 0.53488927 1\n C C15 1 0.40728458 0.51025194 0.22767712 1\n C C16 1 0.69742145 0.65501939 0.86715951 1\n C C17 1 0.79552185 0.42428341 0.88233486 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26616000\n_cell_length_b 3.62998000\n_cell_length_c 4.23710000\n_cell_angle_alpha 131.48268000\n_cell_angle_beta 84.80581000\n_cell_angle_gamma 104.47471000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.24412872\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08161839 0.17700252 0.54406840 1\n C C1 1 0.65456779 0.08723060 0.69226470 1\n C C2 1 0.29284423 0.72695331 0.33108594 1\n C C3 1 0.02639230 0.29088646 0.27680449 1\n C C4 1 0.71062186 0.97293045 0.95929689 1\n C C5 1 0.44255153 0.53727596 0.90530049 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44285000\n_cell_length_b 6.01379000\n_cell_length_c 4.80560000\n_cell_angle_alpha 65.82080000\n_cell_angle_beta 75.21346000\n_cell_angle_gamma 66.00618000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.50527857\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84390762 0.55024036 0.59075806 1\n C C1 1 0.50935855 0.63646833 0.09145459 1\n C C2 1 0.41749617 0.25607333 1.03498471 1\n C C3 1 0.47416893 0.37187755 0.68650242 1\n C C4 1 0.86035887 0.71032434 0.24155465 1\n C C5 1 -0.25411460 0.18565246 0.51495175 1\n C C6 1 0.56933327 0.74255865 0.75426864 1\n C C7 1 0.75900771 0.34862244 0.16693293 1\n C C8 1 0.59612934 0.97896202 0.23355877 1\n C C9 1 0.40719794 0.01111752 0.54253638 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47153000\n_cell_length_b 4.77782000\n_cell_length_c 6.23666000\n_cell_angle_alpha 109.38517000\n_cell_angle_beta 75.14650000\n_cell_angle_gamma 94.76497000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.14911159\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53263043 0.65123649 0.17573210 1\n C C1 1 -0.12682389 0.19636331 0.24162808 1\n C C2 1 0.26195589 0.41817081 0.77549222 1\n C C3 1 0.68321501 0.99224802 0.86472777 1\n C C4 1 0.83183877 0.75337468 0.62673204 1\n C C5 1 0.09815237 0.97284079 -0.00157537 1\n C C6 1 0.55847258 0.96239553 0.36358867 1\n C C7 1 -0.04479944 0.98470323 0.50774069 1\n C C8 1 0.33394401 0.56689555 0.57937484 1\n C C9 1 0.39007448 0.39846072 0.30636471 1\n C C10 1 0.77335791 0.23029589 0.74328897 1\n C C11 1 0.11501087 0.65567307 0.02630809 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47298000\n_cell_length_b 3.48730000\n_cell_length_c 5.25069000\n_cell_angle_alpha 81.48383000\n_cell_angle_beta 98.43937000\n_cell_angle_gamma 92.34125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.19874791\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30467519 0.46395070 0.62061751 1\n C C1 1 0.31525257 0.61362941 0.34122208 1\n C C2 1 0.94405708 0.80839645 0.18337941 1\n C C3 1 0.07712554 0.17425100 0.73911635 1\n C C4 1 0.63655313 -0.06681218 0.34143152 1\n C C5 1 0.44178595 0.30557930 0.18423870 1\n C C6 1 0.74726639 0.50327482 0.03029800 1\n C C7 1 0.59027221 0.65935301 0.76862938 1\n C C8 1 0.78843549 0.94425863 0.62113529 1\n C C9 1 0.06916114 0.18224005 1.02204176 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48092000\n_cell_length_b 5.61723000\n_cell_length_c 5.46499000\n_cell_angle_alpha 119.11834000\n_cell_angle_beta 89.99005000\n_cell_angle_gamma 116.22720000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.39705763\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10918726 0.35152337 0.85353833 1\n C C1 1 0.45353240 0.69601489 0.40661287 1\n C C2 1 0.45384478 0.69630338 0.11437385 1\n C C3 1 0.47889257 0.22180585 0.66051577 1\n C C4 1 0.12203554 0.86446212 0.57767212 1\n C C5 1 0.22011825 -0.03705104 0.89376511 1\n C C6 1 0.47884285 0.22169469 0.38539018 1\n C C7 1 0.10888237 0.35109430 0.32195050 1\n C C8 1 0.92406815 0.16638100 -0.00477092 1\n C C9 1 1.12243523 0.86484473 0.11154459 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43998000\n_cell_length_b 3.43290000\n_cell_length_c 4.17438000\n_cell_angle_alpha 100.17977000\n_cell_angle_beta 100.19384000\n_cell_angle_gamma 93.17845000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.56203974\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24538881 0.82177241 0.67371254 1\n C C1 1 0.57056675 0.62684412 0.24070838 1\n C C2 1 0.46177141 -0.00323608 0.44190208 1\n C C3 1 -0.05972596 0.51794693 0.44176803 1\n C C4 1 0.23332058 0.28953732 0.25265870 1\n C C5 1 0.13664168 0.19309413 0.87451963 1\n C C6 1 0.76540423 0.30190497 0.67385582 1\n C C7 1 0.47330849 0.52981069 0.86271642 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45613000\n_cell_length_b 3.64295000\n_cell_length_c 11.86363000\n_cell_angle_alpha 81.83475000\n_cell_angle_beta 96.95843000\n_cell_angle_gamma 118.20791000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 92.41790300\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80459251 0.59293375 0.32122726 1\n C C1 1 0.51972673 0.33054164 0.58914156 1\n C C2 1 0.84615457 0.05315929 0.43471272 1\n C C3 1 0.93154319 0.98133670 0.23502116 1\n C C4 1 0.86136439 0.98596819 0.74755364 1\n C C5 1 0.14730718 0.78159857 0.43655272 1\n C C6 1 0.53186238 0.26148554 0.06236786 1\n C C7 1 0.08506215 0.38195982 0.00769363 1\n C C8 1 0.10730821 0.32135402 0.32299830 1\n C C9 1 0.19768120 0.62494498 0.90500477 1\n C C10 1 0.02438933 0.39461588 0.52230648 1\n C C11 1 0.41474782 0.10639582 0.69301032 1\n C C12 1 0.75370425 0.74883109 0.85116438 1\n C C13 1 0.43549867 1.04435610 0.16772980 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47017000\n_cell_length_b 4.37996000\n_cell_length_c 4.80486000\n_cell_angle_alpha 85.66427000\n_cell_angle_beta 84.46951000\n_cell_angle_gamma 88.34317000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.46486874\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59442193 0.72361684 -0.05546685 1\n C C1 1 0.46045854 0.85987014 0.69811732 1\n C C2 1 0.58622421 0.73446496 0.44518496 1\n C C3 1 0.83488729 0.47799846 0.94503368 1\n C C4 1 0.97305666 0.34158802 0.69942875 1\n C C5 1 0.45838909 0.85969419 0.19083766 1\n C C6 1 0.21260036 0.09895098 1.10028175 1\n C C7 1 -0.02934230 0.34249985 0.19168221 1\n C C8 1 -0.15273928 0.46779828 0.44452305 1\n C C9 1 0.21366851 1.10045878 0.79267757 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43004000\n_cell_length_b 2.43001000\n_cell_length_c 8.45398000\n_cell_angle_alpha 83.66002000\n_cell_angle_beta 96.58137000\n_cell_angle_gamma 120.01013000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.86160973\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71801846 0.75796450 0.35076152 1\n C C1 1 0.21579716 0.28229321 0.68355433 1\n C C2 1 0.02240579 0.54823327 0.01747502 1\n C C3 1 0.54904630 0.94876573 0.68343243 1\n C C4 1 0.35538095 0.21525549 1.01674608 1\n C C5 1 0.05162593 0.42476061 0.35067802 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48782000\n_cell_length_b 6.58013000\n_cell_length_c 4.30589000\n_cell_angle_alpha 70.87622000\n_cell_angle_beta 54.69704000\n_cell_angle_gamma 79.09173000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.35127318\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13591424 0.83789426 0.49458405 1\n C C1 1 0.88554166 0.63835264 0.84464806 1\n C C2 1 0.88577524 0.83789232 0.24479463 1\n C C3 1 0.13587449 0.63833372 0.09431407 1\n C C4 1 -0.11442226 0.23798865 0.04462103 1\n C C5 1 0.13613305 1.03847604 0.89417901 1\n C C6 1 0.88595420 0.03848176 0.64437465 1\n C C7 1 -0.11393458 0.43819089 0.44458800 1\n C C8 1 1.13610001 0.43822143 0.69447445 1\n C C9 1 0.13587995 0.23797659 0.29427494 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46006000\n_cell_length_b 3.39086000\n_cell_length_c 6.02526000\n_cell_angle_alpha 61.46503000\n_cell_angle_beta 78.22174000\n_cell_angle_gamma 68.85450000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.15145975\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90148190 0.47604815 0.51573722 1\n C C1 1 0.53325077 0.61931686 1.11338782 1\n C C2 1 0.67366839 0.86505950 0.58415431 1\n C C3 1 0.04566151 0.72108543 -0.01357627 1\n C C4 1 0.07644418 -0.06748864 0.71099562 1\n C C5 1 0.49900755 0.40852300 0.38889651 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48162000\n_cell_length_b 3.74429000\n_cell_length_c 3.84197000\n_cell_angle_alpha 89.99458000\n_cell_angle_beta 90.00574000\n_cell_angle_gamma 90.00618000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.69921951\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47261335 0.83589638 1.15217437 1\n C C1 1 -0.02743390 0.33999773 0.44670932 1\n C C2 1 0.47255722 0.10266902 0.44673999 1\n C C3 1 0.97250876 0.34006483 0.85744560 1\n C C4 1 -0.02737719 0.60681565 0.15213510 1\n C C5 1 0.47248686 0.10270849 0.85748312 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46813000\n_cell_length_b 3.37469000\n_cell_length_c 6.15262000\n_cell_angle_alpha 112.49390000\n_cell_angle_beta 101.50965000\n_cell_angle_gamma 111.56726000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.43479656\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24499238 0.23463465 0.17110957 1\n C C1 1 -0.05448424 0.71290152 0.09259413 1\n C C2 1 0.27352013 0.88660192 0.57013035 1\n C C3 1 0.23313516 0.41373153 0.96791327 1\n C C4 1 0.92203941 1.06198550 0.69343804 1\n C C5 1 0.95743116 0.53360129 0.29573144 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45545000\n_cell_length_b 4.23750000\n_cell_length_c 4.62272000\n_cell_angle_alpha 72.77761000\n_cell_angle_beta 74.60289000\n_cell_angle_gamma 89.99553000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.13231953\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32258060 0.10848897 0.31990740 1\n C C1 1 0.41999881 0.86079647 0.84911956 1\n C C2 1 0.24017515 0.49719083 0.84682549 1\n C C3 1 1.00171413 1.04955219 0.68532782 1\n C C4 1 0.84650456 0.59276278 0.33970771 1\n C C5 1 -0.08204485 0.31847158 0.19421466 1\n C C6 1 0.37671250 0.80283512 0.21431116 1\n C C7 1 0.81955761 0.41289095 0.68768750 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45032000\n_cell_length_b 3.83469000\n_cell_length_c 4.28791000\n_cell_angle_alpha 52.73264000\n_cell_angle_beta 103.76976000\n_cell_angle_gamma 97.37679000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.84245516\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59090443 0.95440484 0.31047016 1\n C C1 1 0.08866011 0.01460645 0.75049141 1\n C C2 1 0.78518225 0.74036499 0.71657503 1\n C C3 1 0.28206597 0.80051412 0.15688366 1\n C C4 1 0.78451771 0.35948216 0.09713338 1\n C C5 1 0.08893393 0.39530054 0.36992007 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48212000\n_cell_length_b 3.68707000\n_cell_length_c 4.89634000\n_cell_angle_alpha 66.96481000\n_cell_angle_beta 59.49521000\n_cell_angle_gamma 70.34329000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98901125\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00836592 1.19491877 0.33633737 1\n C C1 1 0.32218329 0.70953004 0.76511415 1\n C C2 1 0.04725959 0.10743981 0.84061534 1\n C C3 1 0.33852159 0.26386986 0.97155362 1\n C C4 1 1.02478322 0.74952681 0.54280221 1\n C C5 1 0.29873869 0.35228601 0.46697981 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46062000\n_cell_length_b 3.63260000\n_cell_length_c 4.48683000\n_cell_angle_alpha 73.57562000\n_cell_angle_beta 95.30656000\n_cell_angle_gamma 63.46737000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.27988141\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34979099 -0.04246940 1.00165427 1\n C C1 1 0.78233347 0.81526159 0.55782051 1\n C C2 1 0.65709050 0.23116929 1.00171119 1\n C C3 1 0.38661969 0.71056680 0.76833948 1\n C C4 1 0.81846019 0.56968825 0.32366552 1\n C C5 1 0.51127177 0.29583667 0.32385643 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42466000\n_cell_length_b 5.65349000\n_cell_length_c 6.14190000\n_cell_angle_alpha 63.09265000\n_cell_angle_beta 78.65774000\n_cell_angle_gamma 90.12567000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.20943938\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33369472 0.83237061 -0.03029161 1\n C C1 1 0.83302939 0.36019905 0.96876920 1\n C C2 1 0.39520836 0.44971070 0.84329849 1\n C C3 1 0.63826384 0.68636433 0.36086072 1\n C C4 1 0.13948829 1.11212679 0.35857088 1\n C C5 1 0.70235457 0.20033752 0.23284439 1\n C C6 1 0.89648414 0.87296187 0.84306185 1\n C C7 1 0.20164476 0.72529315 0.23448770 1\n C C8 1 1.02131008 -0.13648042 0.60050476 1\n C C9 1 0.51981624 0.69863670 0.60186201 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48515000\n_cell_length_b 4.78095000\n_cell_length_c 4.67972000\n_cell_angle_alpha 76.26537000\n_cell_angle_beta 74.58295000\n_cell_angle_gamma 58.65697000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44561205\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65176002 0.92047307 0.82977136 1\n C C1 1 0.90173255 0.32622891 0.51780470 1\n C C2 1 -0.37133812 0.10042956 0.51595283 1\n C C3 1 0.95151018 0.56451821 -0.05595867 1\n C C4 1 0.66422720 0.39485484 0.85814872 1\n C C5 1 -0.01544606 0.85841970 0.28813139 1\n C C6 1 -0.03876220 1.03903643 0.97431416 1\n C C7 1 0.71181323 0.63245427 0.28547981 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.62318000\n_cell_length_b 4.01292000\n_cell_length_c 3.43181000\n_cell_angle_alpha 99.61073000\n_cell_angle_beta 97.41335000\n_cell_angle_gamma 109.82429000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.34456849\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41674484 0.88902110 0.61482668 1\n C C1 1 0.82394405 0.08296435 0.80761090 1\n C C2 1 0.20420950 0.08180227 0.80633468 1\n C C3 1 0.47815373 0.39154143 0.11312142 1\n C C4 1 0.26583486 0.58422485 0.30516031 1\n C C5 1 0.85865862 0.39043630 0.11166381 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.50030000\n_cell_length_b 4.17479000\n_cell_length_c 4.96573000\n_cell_angle_alpha 63.44391000\n_cell_angle_beta 112.54047000\n_cell_angle_gamma 102.06499000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.88787020\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67993690 0.43377798 -0.03476635 1\n C C1 1 0.51335023 1.10079349 0.13214987 1\n C C2 1 0.01322684 0.60085386 0.13217436 1\n C C3 1 1.01323771 0.10089727 0.63217439 1\n C C4 1 0.17988355 0.43377945 0.46526036 1\n C C5 1 0.51323079 0.60091822 0.63216875 1\n C C6 1 0.68008390 0.93369520 0.46524940 1\n C C7 1 0.17993838 -0.06623337 0.96528592 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48851000\n_cell_length_b 4.30399000\n_cell_length_c 4.97486000\n_cell_angle_alpha 106.80609000\n_cell_angle_beta 59.95089000\n_cell_angle_gamma 106.80085000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47766045\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71538287 0.94769072 -0.13198562 1\n C C1 1 0.59016193 0.57277004 0.30579921 1\n C C2 1 0.09041507 0.07273285 0.55570311 1\n C C3 1 0.21518241 0.44773159 0.11810788 1\n C C4 1 0.71543555 -0.05230560 0.36801178 1\n C C5 1 0.09042273 0.07281419 0.05567549 1\n C C6 1 0.21517475 0.44765025 0.61813551 1\n C C7 1 0.59021460 0.57277372 0.80579661 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42882000\n_cell_length_b 4.16615000\n_cell_length_c 6.13190000\n_cell_angle_alpha 69.03913000\n_cell_angle_beta 78.55528000\n_cell_angle_gamma 89.99828000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.61866606\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08530468 0.71812354 0.26977098 1\n C C1 1 0.00539057 0.58162213 0.08649822 1\n C C2 1 0.23928591 0.75345817 0.61797351 1\n C C3 1 0.55229238 0.52641227 -0.00880512 1\n C C4 1 1.21639840 1.07957464 0.66243656 1\n C C5 1 0.36763471 0.77328152 0.36499992 1\n C C6 1 0.67988367 0.54451688 0.73858580 1\n C C7 1 0.70281455 0.21982815 0.69198143 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42547000\n_cell_length_b 4.21257000\n_cell_length_c 4.21278000\n_cell_angle_alpha 90.25931000\n_cell_angle_beta 90.00062000\n_cell_angle_gamma 89.98495000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.04347791\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09073430 0.81815164 0.33280519 1\n C C1 1 0.59075217 0.66917820 0.18404483 1\n C C2 1 1.09033741 0.75805178 0.68074360 1\n C C3 1 0.09123868 0.16623396 0.27445448 1\n C C4 1 0.59120432 0.32133950 0.24467427 1\n C C5 1 0.59032602 0.72735541 0.83587223 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.83527000\n_cell_length_b 4.31057000\n_cell_length_c 6.32184000\n_cell_angle_alpha 125.17166000\n_cell_angle_beta 117.05690000\n_cell_angle_gamma 83.65777000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 74.41557161\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78550346 0.88203924 0.13807917 1\n C C1 1 0.54993519 0.52258124 0.95965236 1\n C C2 1 0.59223189 0.14387445 0.77040563 1\n C C3 1 0.11909138 0.50410526 0.44997984 1\n C C4 1 0.19661559 0.52294934 0.96010857 1\n C C5 1 0.37087627 0.26181302 0.32667828 1\n C C6 1 0.96559752 0.14295783 0.77186055 1\n C C7 1 -0.25620523 0.26085857 0.32783784 1\n C C8 1 0.21794612 0.90083995 0.64918112 1\n C C9 1 0.13870650 0.88170429 0.13754554 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46111000\n_cell_length_b 3.35514000\n_cell_length_c 4.91480000\n_cell_angle_alpha 77.51377000\n_cell_angle_beta 65.41519000\n_cell_angle_gamma 104.46721000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.28845706\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25677689 0.37866773 0.70384380 1\n C C1 1 0.07842354 1.03980529 0.38218828 1\n C C2 1 0.67576801 0.10533719 0.70366194 1\n C C3 1 0.49709727 0.76616422 0.38221187 1\n C C4 1 0.23210105 0.62556094 0.93757592 1\n C C5 1 0.52167614 0.52045852 0.14801269 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47425000\n_cell_length_b 4.80344000\n_cell_length_c 4.94569000\n_cell_angle_alpha 59.00822000\n_cell_angle_beta 59.97199000\n_cell_angle_gamma 75.07410000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.62483992\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03854554 0.40419409 0.18722572 1\n C C1 1 0.96145446 0.40419409 0.68722572 1\n C C2 1 -0.03848554 0.77826105 1.00014171 1\n C C3 1 0.29490103 0.27825819 0.41678750 1\n C C4 1 0.96151446 0.77826105 0.50014171 1\n C C5 1 1.29484103 -0.09580876 0.10387152 1\n C C6 1 0.29484103 0.90419124 0.60387152 1\n C C7 1 0.29490103 0.27825819 -0.08321250 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06910000\n_cell_length_b 4.66782000\n_cell_length_c 4.03432000\n_cell_angle_alpha 57.28701000\n_cell_angle_beta 71.11251000\n_cell_angle_gamma 61.81005000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.67782798\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37248357 -0.01200025 0.39405695 1\n C C1 1 0.03676984 -0.01163138 0.72536666 1\n C C2 1 0.70353829 0.65511638 0.39188341 1\n C C3 1 0.70554409 0.32136493 0.72737049 1\n C C4 1 1.03941497 0.65453160 0.06111140 1\n C C5 1 0.37059894 0.32161222 0.05903789 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.85182000\n_cell_length_b 4.33262000\n_cell_length_c 6.50094000\n_cell_angle_alpha 62.99720000\n_cell_angle_beta 69.18148000\n_cell_angle_gamma 70.73449000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.48206925\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16155365 0.91218251 0.05335614 1\n C C1 1 0.18894933 0.56066655 0.21199369 1\n C C2 1 0.90079611 0.43916918 0.41863235 1\n C C3 1 1.01675152 0.07674049 0.54285791 1\n C C4 1 0.80551399 0.86429243 0.75632756 1\n C C5 1 0.49886663 0.25187095 0.21219048 1\n C C6 1 0.33559511 0.39635965 0.72496875 1\n C C7 1 -0.02361024 0.51080556 0.84873274 1\n C C8 1 0.54685339 0.60882548 0.51146438 1\n C C9 1 0.45102504 0.03362950 0.84841102 1\n C C10 1 0.85180357 1.22110259 0.05319558 1\n C C11 1 1.37563151 0.96251991 0.41845899 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47833000\n_cell_length_b 2.47792000\n_cell_length_c 6.31262000\n_cell_angle_alpha 101.31743000\n_cell_angle_beta 89.99604000\n_cell_angle_gamma 59.98266000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.69307135\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36385695 0.74571691 0.35010926 1\n C C1 1 0.44536018 0.58182948 1.09920055 1\n C C2 1 1.00214392 0.46777537 0.43365409 1\n C C3 1 0.22016377 0.02702299 0.76806119 1\n C C4 1 -0.08471330 0.63700461 0.68459228 1\n C C5 1 1.13870417 0.19338454 1.01566223 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60979000\n_cell_length_b 3.67775000\n_cell_length_c 4.64726000\n_cell_angle_alpha 113.25945000\n_cell_angle_beta 105.38199000\n_cell_angle_gamma 90.12078000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.22341222\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50662551 0.52579099 0.75882362 1\n C C1 1 0.62417612 0.95450894 0.99101251 1\n C C2 1 0.90703012 0.41904656 0.54655477 1\n C C3 1 0.79066926 0.61544925 0.31399656 1\n C C4 1 0.79052218 0.99006623 0.31378385 1\n C C5 1 0.62330280 0.32901803 -0.00910081 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31849000\n_cell_length_b 3.51762000\n_cell_length_c 3.51591000\n_cell_angle_alpha 60.01976000\n_cell_angle_beta 90.00226000\n_cell_angle_gamma 90.00367000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.55038067\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15030065 0.81861886 0.25173067 1\n C C1 1 0.31693881 1.05080038 0.78816358 1\n C C2 1 0.65034593 -0.25314767 0.78744814 1\n C C3 1 0.81684219 0.51471346 0.25101168 1\n C C4 1 0.48241360 0.51499581 0.55584634 1\n C C5 1 -0.01757028 0.05085486 0.48292519 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47267000\n_cell_length_b 4.15483000\n_cell_length_c 7.90290000\n_cell_angle_alpha 93.87413000\n_cell_angle_beta 89.63442000\n_cell_angle_gamma 96.03382000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.55631133\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49752798 0.62230066 0.66434794 1\n C C1 1 0.17975351 -0.01428164 0.55400964 1\n C C2 1 0.84524457 0.96778420 0.96210682 1\n C C3 1 0.84356855 0.12593872 0.14084195 1\n C C4 1 0.33880181 0.65161009 0.15731294 1\n C C5 1 0.30807962 0.16824738 0.39954447 1\n C C6 1 0.36197617 0.44590006 0.82937955 1\n C C7 1 0.81440527 0.22042780 0.82758579 1\n C C8 1 0.86289747 0.38432332 0.39515845 1\n C C9 1 -0.00304256 0.61345880 0.55076253 1\n C C10 1 0.83701052 0.47464719 0.20626988 1\n C C11 1 0.32771124 -0.00526220 0.22429402 1\n C C12 1 0.68027101 1.00380013 0.66517273 1\n C C13 1 0.33583814 0.73535698 0.96537599 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51876000\n_cell_length_b 3.51761000\n_cell_length_c 3.31945000\n_cell_angle_alpha 89.99271000\n_cell_angle_beta 89.99200000\n_cell_angle_gamma 59.96424000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.56947740\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68630767 0.50032936 0.86919446 1\n C C1 1 0.22240938 0.73258582 1.03596386 1\n C C2 1 0.91801024 0.73221887 0.70380625 1\n C C3 1 0.99031455 0.19613512 0.20376736 1\n C C4 1 0.68626728 0.19563807 0.53590909 1\n C C5 1 0.22239998 0.42762916 0.36925948 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43249000\n_cell_length_b 7.19615000\n_cell_length_c 9.62593000\n_cell_angle_alpha 73.04730000\n_cell_angle_beta 82.71490000\n_cell_angle_gamma 99.77468000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 156.03305966\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36194290 0.45851552 0.36914974 1\n C C1 1 0.82272622 0.48835159 0.43230341 1\n C C2 1 0.67523249 0.73013369 0.77611917 1\n C C3 1 0.38052843 0.17444594 0.68450343 1\n C C4 1 0.80252747 0.93637254 0.30476185 1\n C C5 1 0.27857841 0.88017166 0.09938796 1\n C C6 1 1.11820367 0.62103632 0.75426025 1\n C C7 1 0.23459869 -0.17976412 0.97121404 1\n C C8 1 0.29022069 0.93692826 0.37820735 1\n C C9 1 0.28328597 0.87644343 0.54057900 1\n C C10 1 0.01224740 0.36901813 1.17671359 1\n C C11 1 -0.21551941 -0.09396226 0.16484640 1\n C C12 1 0.46871444 0.39793709 1.24098549 1\n C C13 1 -0.27150792 0.78896794 0.90918576 1\n C C14 1 0.69592829 0.33026974 0.96597602 1\n C C15 1 0.78042212 0.91621842 0.61986318 1\n C C16 1 0.90995629 0.39491852 0.80298560 1\n C C17 1 0.44880637 0.35678581 0.72235656 1\n C C18 1 0.68665441 0.54292409 0.56817101 1\n C C19 1 0.13692179 0.33279849 0.03879418 1\n C C20 1 0.21485794 0.65124760 0.59123077 1\n C C21 1 0.85822733 0.09998731 0.65597386 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46144000\n_cell_length_b 3.35647000\n_cell_length_c 4.91491000\n_cell_angle_alpha 102.49314000\n_cell_angle_beta 114.55896000\n_cell_angle_gamma 104.48230000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.31025063\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.31697752 0.73248969 0.81516921 1\n C C1 1 0.70697343 0.48546203 0.04853163 1\n C C2 1 0.41743809 0.59082050 0.25931013 1\n C C3 1 0.44220053 0.34478460 0.49264088 1\n C C4 1 0.86077310 0.07127473 0.49260033 1\n C C5 1 0.26418317 0.00580574 0.81497292 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06197000\n_cell_length_b 2.42993000\n_cell_length_c 6.41427000\n_cell_angle_alpha 79.19198000\n_cell_angle_beta 67.81184000\n_cell_angle_gamma 92.70782000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.03936658\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94330982 0.44381968 0.87568023 1\n C C1 1 -0.05546219 -0.00061153 0.76406954 1\n C C2 1 0.94252735 1.11057250 0.54243380 1\n C C3 1 0.94490576 0.66634752 0.43037700 1\n C C4 1 -0.05676090 0.77744533 0.20867651 1\n C C5 1 -0.05518505 0.33283570 0.09737922 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48588000\n_cell_length_b 6.63485000\n_cell_length_c 6.15759000\n_cell_angle_alpha 56.32468000\n_cell_angle_beta 78.34134000\n_cell_angle_gamma 67.98684000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.35371550\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06019595 0.33153021 0.29932177 1\n C C1 1 0.46830674 0.03080144 0.08526501 1\n C C2 1 0.05619523 0.18772845 0.59730255 1\n C C3 1 0.24530176 0.89323600 0.80934980 1\n C C4 1 0.47656672 0.72436403 0.68461871 1\n C C5 1 0.30258156 0.30613528 0.86645579 1\n C C6 1 0.66440561 0.42998965 0.89551416 1\n C C7 1 0.41852403 0.31114070 0.62668340 1\n C C8 1 0.70639644 0.84508326 0.98333170 1\n C C9 1 0.65726061 0.28753164 0.19310413 1\n C C10 1 -0.18598480 0.60210980 0.25243667 1\n C C11 1 1.01640971 0.77255345 0.51088395 1\n C C12 1 0.25199605 0.58691544 0.40888707 1\n C C13 1 0.90499670 0.01606275 1.24145139 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44566000\n_cell_length_b 4.57697000\n_cell_length_c 6.23436000\n_cell_angle_alpha 81.78144000\n_cell_angle_beta 101.39282000\n_cell_angle_gamma 105.71951000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.55557382\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05724786 0.57232488 0.58515995 1\n C C1 1 0.48855091 0.18982970 0.83125991 1\n C C2 1 -0.04955315 0.25399763 0.69012430 1\n C C3 1 0.22439157 0.13943730 0.35733257 1\n C C4 1 0.60856034 0.71877345 0.54429700 1\n C C5 1 0.69761341 0.39273688 1.04343413 1\n C C6 1 0.21478659 0.30551451 0.16586288 1\n C C7 1 0.74228608 0.05211309 0.47982617 1\n C C8 1 0.38011886 0.87073284 0.93457130 1\n C C9 1 0.83177682 0.72571693 0.97805939 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48366000\n_cell_length_b 5.00806000\n_cell_length_c 4.32808000\n_cell_angle_alpha 109.53631000\n_cell_angle_beta 113.27461000\n_cell_angle_gamma 94.38519000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.23297538\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29593543 0.69814293 0.98334472 1\n C C1 1 0.50776958 0.69811836 0.37297908 1\n C C2 1 -0.02298514 0.17374358 1.03110571 1\n C C3 1 0.10318278 0.88981261 0.46867267 1\n C C4 1 0.29948042 0.17386048 0.80036941 1\n C C5 1 0.10036323 0.41439134 0.65201868 1\n C C6 1 0.89079572 0.88964214 1.07881564 1\n C C7 1 0.42232927 0.41426296 0.42128498 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60877000\n_cell_length_b 4.48844000\n_cell_length_c 4.68659000\n_cell_angle_alpha 60.97067000\n_cell_angle_beta 73.38588000\n_cell_angle_gamma 54.87462000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.24302275\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03646124 0.45374388 0.58881068 1\n C C1 1 0.72449207 0.88255383 0.35669597 1\n C C2 1 -0.08272351 0.41706270 0.91296853 1\n C C3 1 0.22920133 0.98825377 0.14495676 1\n C C4 1 0.54208659 0.79151526 0.91288061 1\n C C5 1 0.41203769 0.07937017 0.58868485 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42649000\n_cell_length_b 4.22618000\n_cell_length_c 4.22793000\n_cell_angle_alpha 92.11405000\n_cell_angle_beta 89.99356000\n_cell_angle_gamma 90.00559000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.32699698\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56341676 0.18917536 -0.05612682 1\n C C1 1 0.56362624 0.24997030 0.29329544 1\n C C2 1 0.06366037 0.75605682 0.37790555 1\n C C3 1 0.56352012 0.59940380 0.35402217 1\n C C4 1 0.06355310 0.16551667 0.78724131 1\n C C5 1 1.06346671 0.10510055 0.43820955 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48475000\n_cell_length_b 4.08599000\n_cell_length_c 4.67827000\n_cell_angle_alpha 83.34836000\n_cell_angle_beta 74.59691000\n_cell_angle_gamma 90.01974000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45862600\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92065002 0.82137062 0.72825020 1\n C C1 1 0.49143642 0.70279813 0.58403091 1\n C C2 1 0.43695066 0.34674703 0.69778023 1\n C C3 1 0.26792640 0.41472178 0.03941248 1\n C C4 1 -0.35149427 0.88178646 0.26990375 1\n C C5 1 0.97874702 0.17686203 0.61203904 1\n C C6 1 0.76644505 0.63962248 0.04232841 1\n C C7 1 0.14792840 0.10853186 0.27141769 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48085000\n_cell_length_b 5.03943000\n_cell_length_c 5.61505000\n_cell_angle_alpha 111.68909000\n_cell_angle_beta 63.79466000\n_cell_angle_gamma 89.98882000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.39030733\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03901020 1.10087268 0.32181309 1\n C C1 1 0.39693566 0.29398971 0.38579317 1\n C C2 1 0.43109378 0.63205095 0.85324923 1\n C C3 1 0.87672731 0.84028818 0.40608158 1\n C C4 1 0.12336316 0.56941779 0.66058105 1\n C C5 1 0.67212176 0.37681031 0.11146198 1\n C C6 1 1.16985127 0.54753169 0.11385442 1\n C C7 1 0.20575157 0.84322971 0.57730672 1\n C C8 1 -0.11173459 0.06095963 0.89344709 1\n C C9 1 0.28780649 0.95898205 -0.00511232 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42952000\n_cell_length_b 3.58813000\n_cell_length_c 5.11099000\n_cell_angle_alpha 86.58693000\n_cell_angle_beta 74.58785000\n_cell_angle_gamma 92.13430000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.81106804\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55473113 -0.10773705 0.68413962 1\n C C1 1 0.88861841 0.22691985 0.01658870 1\n C C2 1 0.22246009 0.56095942 0.34923519 1\n C C3 1 0.11026619 0.78167619 0.57338437 1\n C C4 1 0.77785301 0.45019812 0.23869770 1\n C C5 1 0.44414257 1.11606957 0.90584801 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43831000\n_cell_length_b 3.26961000\n_cell_length_c 14.92489000\n_cell_angle_alpha 88.92855000\n_cell_angle_beta 94.72978000\n_cell_angle_gamma 112.07101000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 109.88139288\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72122929 0.13746551 0.59492314 1\n C C1 1 0.22163079 0.92072547 0.83018016 1\n C C2 1 -0.02393130 0.20046458 0.04103189 1\n C C3 1 0.72123663 0.87527642 0.87604677 1\n C C4 1 1.02568430 1.02058945 0.30841270 1\n C C5 1 0.73579076 0.08378169 0.69120369 1\n C C6 1 0.86793723 0.49147373 0.52686716 1\n C C7 1 1.11450265 0.11080756 0.39708777 1\n C C8 1 -0.23948833 0.84070291 -0.02714961 1\n C C9 1 0.51339746 0.77940406 0.52669829 1\n C C10 1 0.47308766 0.96550362 0.25982274 1\n C C11 1 0.62155425 0.48763954 0.04121131 1\n C C12 1 0.65160949 0.13346991 0.45003568 1\n C C13 1 0.37892809 0.86862351 0.17135257 1\n C C14 1 1.22763289 1.02518038 0.73641151 1\n C C15 1 -0.15907326 0.84614657 0.11828202 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43009000\n_cell_length_b 7.33160000\n_cell_length_c 4.70653000\n_cell_angle_alpha 82.30265000\n_cell_angle_beta 60.88492000\n_cell_angle_gamma 82.83191000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.42586732\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87187854 0.39384276 0.14684445 1\n C C1 1 0.67335252 0.25954947 0.41175368 1\n C C2 1 0.47276390 0.45969512 1.01249562 1\n C C3 1 0.07289792 0.19234540 0.54551147 1\n C C4 1 0.67533985 0.59229179 0.74494885 1\n C C5 1 0.27667129 0.99059724 0.94326875 1\n C C6 1 0.27744941 0.65764873 0.60972893 1\n C C7 1 1.07501749 -0.14277373 0.20969397 1\n C C8 1 0.47356367 0.79138890 0.34453013 1\n C C9 1 -0.12415609 1.05795413 0.81016095 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54023000\n_cell_length_b 2.46094000\n_cell_length_c 7.23407000\n_cell_angle_alpha 80.31919000\n_cell_angle_beta 58.07480000\n_cell_angle_gamma 90.24007000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 37.60067879\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94473286 0.29016710 -0.01611698 1\n C C1 1 0.65615620 0.52877498 0.50579296 1\n C C2 1 0.60644638 0.17565820 0.21405431 1\n C C3 1 0.41258622 0.61001107 0.34527855 1\n C C4 1 0.12122760 -0.15078535 0.86675638 1\n C C5 1 0.46253133 0.96269320 0.63662608 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43157000\n_cell_length_b 4.49705000\n_cell_length_c 6.90520000\n_cell_angle_alpha 97.84248000\n_cell_angle_beta 82.53467000\n_cell_angle_gamma 103.59988000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.32774425\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37757571 0.10344330 0.71532019 1\n C C1 1 1.03989723 0.76857410 1.04963160 1\n C C2 1 0.24164576 0.56752191 0.45114296 1\n C C3 1 0.84521837 0.96993172 0.64885568 1\n C C4 1 0.77589135 0.70170395 0.51725910 1\n C C5 1 0.44360833 0.36947988 0.84855205 1\n C C6 1 0.97468432 0.50253155 -0.08369965 1\n C C7 1 0.17251144 0.30136039 0.31819257 1\n C C8 1 0.63900495 0.16756202 0.25105919 1\n C C9 1 0.57079704 0.90063637 0.11829451 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43189000\n_cell_length_b 4.81751000\n_cell_length_c 4.22667000\n_cell_angle_alpha 97.75657000\n_cell_angle_beta 106.80843000\n_cell_angle_gamma 75.34818000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.75885940\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44640251 0.31452681 -0.09329997 1\n C C1 1 0.52344134 0.74553083 0.48869551 1\n C C2 1 0.29540978 1.02676521 0.31542978 1\n C C3 1 0.67411704 0.03304731 0.07967259 1\n C C4 1 0.69148241 0.77374398 0.85356814 1\n C C5 1 0.90757259 0.49843786 0.01424633 1\n C C6 1 0.27953995 0.28620842 0.54196460 1\n C C7 1 0.06009018 0.56225018 0.38155402 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48788000\n_cell_length_b 2.48794000\n_cell_length_c 6.09141000\n_cell_angle_alpha 90.00060000\n_cell_angle_beta 89.99760000\n_cell_angle_gamma 59.97636000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.64482094\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94027249 0.34743740 0.97082468 1\n C C1 1 0.27364710 0.68082704 0.88734461 1\n C C2 1 0.60695498 0.01443654 0.55402211 1\n C C3 1 0.27358037 0.68104690 0.63750218 1\n C C4 1 0.94030462 0.34760826 0.22068209 1\n C C5 1 0.60692285 1.01426568 0.30416470 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34960000\n_cell_length_b 3.77736000\n_cell_length_c 6.64763000\n_cell_angle_alpha 110.37324000\n_cell_angle_beta 75.92591000\n_cell_angle_gamma 106.99473000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.46126032\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51309077 1.05018979 0.77165874 1\n C C1 1 0.10645868 0.44746543 0.56195895 1\n C C2 1 0.10520811 1.11967119 0.94840586 1\n C C3 1 0.83762960 0.44011380 0.77372692 1\n C C4 1 0.42207844 0.77679144 0.56001560 1\n C C5 1 1.00417275 0.16020002 0.37050987 1\n C C6 1 0.27547831 0.16769598 0.15896314 1\n C C7 1 0.00671976 0.48836843 0.98495946 1\n C C8 1 0.71346495 0.83075285 0.87123727 1\n C C9 1 0.68708017 0.83151727 0.37264304 1\n C C10 1 0.39973402 0.77683246 0.06100210 1\n C C11 1 0.59918334 0.55807105 0.16106854 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47370000\n_cell_length_b 4.80363000\n_cell_length_c 4.28078000\n_cell_angle_alpha 116.47822000\n_cell_angle_beta 89.98844000\n_cell_angle_gamma 104.92036000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60861731\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50035680 0.34982529 0.32482749 1\n C C1 1 0.68795710 0.72403066 0.51194834 1\n C C2 1 0.25027594 0.84981985 0.74145395 1\n C C3 1 0.93787624 0.22402522 0.42857480 1\n C C4 1 0.43787624 0.22402522 -0.07142520 1\n C C5 1 0.18795710 0.72403066 1.01194834 1\n C C6 1 0.75027594 0.84981985 0.24145395 1\n C C7 1 1.00035680 0.34982529 0.82482749 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47454000\n_cell_length_b 3.68460000\n_cell_length_c 8.33873000\n_cell_angle_alpha 112.01881000\n_cell_angle_beta 107.32416000\n_cell_angle_gamma 89.95996000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.75611577\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.15430151 0.50782897 0.45578402 1\n C C1 1 0.32318911 0.51815666 0.93719970 1\n C C2 1 0.69568352 0.08673790 0.30730493 1\n C C3 1 0.45016973 0.64735754 0.56005327 1\n C C4 1 1.07640715 0.07980847 0.18948130 1\n C C5 1 0.17790405 0.17591329 0.78874772 1\n C C6 1 0.92784569 0.65869316 1.04129420 1\n C C7 1 0.59938025 0.98743351 0.70977186 1\n C C8 1 0.69315771 0.67812118 0.30452332 1\n C C9 1 0.07977749 0.48847582 0.19232159 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46142000\n_cell_length_b 3.35561000\n_cell_length_c 4.48987000\n_cell_angle_alpha 111.95495000\n_cell_angle_beta 95.35132000\n_cell_angle_gamma 75.53681000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.30491199\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62018840 0.74936699 0.74801431 1\n C C1 1 0.40880432 0.22986898 0.98158342 1\n C C2 1 0.20151604 0.47576850 0.74789418 1\n C C3 1 0.90891261 0.33488408 0.19218806 1\n C C4 1 0.70174631 0.81470445 0.42613111 1\n C C5 1 0.12040662 0.08822392 0.42603632 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47694000\n_cell_length_b 6.66093000\n_cell_length_c 8.74125000\n_cell_angle_alpha 101.38263000\n_cell_angle_beta 88.36547000\n_cell_angle_gamma 100.25727000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 139.11998541\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36746322 0.35911844 0.41659007 1\n C C1 1 0.74708531 1.11833947 0.20057497 1\n C C2 1 0.30505972 0.39042105 0.86393682 1\n C C3 1 0.70199267 1.02057073 0.93530463 1\n C C4 1 0.34123791 0.32825964 0.02470104 1\n C C5 1 0.15740993 0.91989583 0.98876577 1\n C C6 1 0.60015668 0.54318079 0.07678634 1\n C C7 1 1.18807469 0.98230430 0.16446332 1\n C C8 1 1.14450742 0.90387811 0.43031444 1\n C C9 1 0.72877342 0.13405201 0.65396182 1\n C C10 1 0.48868457 0.57709816 0.37086229 1\n C C11 1 0.58162384 0.67649217 0.22511684 1\n C C12 1 0.03041463 0.73061552 0.87941366 1\n C C13 1 0.39634804 0.45529381 0.59675047 1\n C C14 1 -0.29619264 0.04002601 0.47543096 1\n C C15 1 0.07541713 0.80020379 0.73172556 1\n C C16 1 0.12924691 0.81831199 0.25468348 1\n C C17 1 0.02850638 0.67542665 0.45710379 1\n C C18 1 0.83755535 0.53406507 0.91344906 1\n C C19 1 -0.19914591 0.22543695 0.37387672 1\n C C20 1 0.28680624 0.27474751 0.69513004 1\n C C21 1 0.79433481 0.21874943 0.05344813 1\n C C22 1 0.97261194 0.60116892 0.60901959 1\n C C23 1 0.64971236 -0.04905325 0.74806600 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43202000\n_cell_length_b 4.44516000\n_cell_length_c 4.14119000\n_cell_angle_alpha 83.37464000\n_cell_angle_beta 93.80931000\n_cell_angle_gamma 102.14377000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.43413936\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17125006 0.46996413 0.12543448 1\n C C1 1 -0.05034969 1.02637623 0.67854231 1\n C C2 1 0.28276418 0.69193594 0.34640138 1\n C C3 1 0.50495179 0.13827982 0.78997865 1\n C C4 1 0.61597819 0.35801527 1.01409542 1\n C C5 1 0.83788337 0.80309271 0.45931455 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42843000\n_cell_length_b 4.80334000\n_cell_length_c 3.94195000\n_cell_angle_alpha 93.96886000\n_cell_angle_beta 95.84172000\n_cell_angle_gamma 109.93863000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.73418044\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69879428 0.91901103 -0.22871430 1\n C C1 1 0.14297405 0.80803621 0.88301026 1\n C C2 1 0.80923978 0.14091852 0.54924643 1\n C C3 1 0.36464525 0.25162663 0.43675975 1\n C C4 1 0.47723645 0.47591144 0.21838739 1\n C C5 1 0.03298649 0.58704638 0.10649976 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45459000\n_cell_length_b 3.34937000\n_cell_length_c 7.63564000\n_cell_angle_alpha 73.28008000\n_cell_angle_beta 89.87446000\n_cell_angle_gamma 111.31276000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.60710394\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88964263 0.35646403 0.60206375 1\n C C1 1 0.07085524 0.71540022 1.07853517 1\n C C2 1 0.57710734 0.72865185 0.31648474 1\n C C3 1 0.19322152 0.95758939 0.88196968 1\n C C4 1 0.20124306 0.97696519 0.22624006 1\n C C5 1 0.44733713 0.46704193 0.16941065 1\n C C6 1 0.75850043 0.08828656 0.79205752 1\n C C7 1 0.45596595 0.48815582 0.51260173 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.68530000\n_cell_length_b 4.62642000\n_cell_length_c 4.68071000\n_cell_angle_alpha 76.35006000\n_cell_angle_beta 75.37793000\n_cell_angle_gamma 71.13727000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.48268757\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88793461 0.18391949 0.36147611 1\n C C1 1 -0.24593049 0.21802511 0.69400451 1\n C C2 1 0.93294844 -0.13547383 0.35829463 1\n C C3 1 0.87744372 0.89416235 0.84158100 1\n C C4 1 -0.02790706 0.70204623 0.64350252 1\n C C5 1 0.91725021 0.72956699 0.12623143 1\n C C6 1 -0.03473236 0.41034817 0.12039667 1\n C C7 1 0.09819492 0.37845920 0.78768953 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48745000\n_cell_length_b 3.87799000\n_cell_length_c 7.87456000\n_cell_angle_alpha 115.46236000\n_cell_angle_beta 99.06466000\n_cell_angle_gamma 89.99636000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.53036498\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39000912 0.39042255 0.54049876 1\n C C1 1 0.14290362 0.33213941 0.04784340 1\n C C2 1 0.97218952 1.03283935 0.70775182 1\n C C3 1 0.24799577 0.37191990 0.24963749 1\n C C4 1 0.47158276 0.27469723 0.70655907 1\n C C5 1 0.64441631 0.57393018 1.05098608 1\n C C6 1 -0.10866451 0.63169434 0.54344151 1\n C C7 1 0.79386207 0.59186328 0.34166598 1\n C C8 1 0.56059226 0.69023276 0.88531263 1\n C C9 1 0.28697509 1.09440004 0.32559498 1\n C C10 1 0.05986116 0.93161576 0.88395725 1\n C C11 1 0.75742213 0.86981870 0.26623123 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43335000\n_cell_length_b 4.22078000\n_cell_length_c 4.81616000\n_cell_angle_alpha 89.44417000\n_cell_angle_beta 104.67814000\n_cell_angle_gamma 106.60611000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.74989666\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68180134 0.86940782 0.52613884 1\n C C1 1 0.54006738 0.34439109 0.77327923 1\n C C2 1 -0.10520792 0.23652617 0.58962976 1\n C C3 1 0.73736245 0.70902439 0.80211051 1\n C C4 1 -0.16118514 0.39744892 0.31394164 1\n C C5 1 0.59579489 0.17159043 0.05486285 1\n C C6 1 1.03729748 0.76237177 0.34276223 1\n C C7 1 0.98066083 0.93524920 0.06126084 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47642000\n_cell_length_b 5.94365000\n_cell_length_c 4.25643000\n_cell_angle_alpha 110.95898000\n_cell_angle_beta 89.98237000\n_cell_angle_gamma 102.05671000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.02436136\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73313970 0.21245499 0.76502543 1\n C C1 1 0.42566777 0.58993444 -0.02331314 1\n C C2 1 0.10725558 -0.04451085 -0.01405620 1\n C C3 1 0.60342015 0.94658101 0.49786616 1\n C C4 1 0.86975561 0.47872130 0.76452150 1\n C C5 1 0.23299019 0.21222957 0.98024468 1\n C C6 1 0.36380092 0.46864801 0.24292737 1\n C C7 1 -0.09652885 0.54945740 0.45721635 1\n C C8 1 0.56621891 0.87504315 0.11983967 1\n C C9 1 0.04665401 0.83462149 0.59857637 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45548000\n_cell_length_b 4.14735000\n_cell_length_c 6.98911000\n_cell_angle_alpha 90.47667000\n_cell_angle_beta 79.94906000\n_cell_angle_gamma 90.02470000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.08045297\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26007980 0.73269771 0.57713025 1\n C C1 1 0.23971061 0.41947180 0.61004820 1\n C C2 1 0.78472362 0.90987931 0.52802071 1\n C C3 1 -0.09223904 -0.08902437 0.28414843 1\n C C4 1 0.96269611 0.23097192 0.17303093 1\n C C5 1 0.44799975 0.41934564 0.20442013 1\n C C6 1 0.43404297 0.73408633 0.23322199 1\n C C7 1 1.06889908 1.16513527 -0.04506440 1\n C C8 1 0.72360328 0.23165418 0.64199916 1\n C C9 1 0.61720010 0.16596970 0.85878670 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.25233000\n_cell_length_b 3.75945000\n_cell_length_c 4.58081000\n_cell_angle_alpha 71.76801000\n_cell_angle_beta 79.09733000\n_cell_angle_gamma 56.93198000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.27258164\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.24566673 0.86092888 0.14710611 1\n C C1 1 0.60884389 0.32153107 -0.00376676 1\n C C2 1 0.99040185 0.12464372 0.37470381 1\n C C3 1 0.36725279 0.56614232 0.75710493 1\n C C4 1 0.21531678 0.40288868 0.60821872 1\n C C5 1 0.98562646 0.76277420 0.37881332 1\n C C6 1 0.22168442 1.02665514 0.60606851 1\n C C7 1 0.76108103 0.48450699 0.14491305 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50276000\n_cell_length_b 6.67395000\n_cell_length_c 4.28716000\n_cell_angle_alpha 103.53191000\n_cell_angle_beta 91.64897000\n_cell_angle_gamma 96.11421000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.11887581\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71270568 0.11691501 0.08084176 1\n C C1 1 0.14374955 0.68142898 0.86100416 1\n C C2 1 1.15821146 0.45590838 0.13954909 1\n C C3 1 0.81270335 0.80467933 0.37780664 1\n C C4 1 0.26823411 0.69885078 0.21186378 1\n C C5 1 0.07335738 0.45227948 0.77415751 1\n C C6 1 0.33913690 0.12642336 0.57130654 1\n C C7 1 0.80145084 0.03580434 0.38020654 1\n C C8 1 0.53616341 0.35533684 0.59876394 1\n C C9 1 0.63830405 0.35663112 0.23952988 1\n C C10 1 0.19952058 0.05099096 -0.12477746 1\n C C11 1 0.00922869 0.82654841 0.72298651 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47967000\n_cell_length_b 3.68884000\n_cell_length_c 4.89418000\n_cell_angle_alpha 92.84451000\n_cell_angle_beta 59.53660000\n_cell_angle_gamma 70.38493000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99079698\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37071642 1.02178684 0.70484395 1\n C C1 1 0.19977258 0.50589669 1.13360399 1\n C C2 1 0.62820002 1.06045914 0.92736107 1\n C C3 1 0.75339586 0.66188837 0.00241713 1\n C C4 1 0.79916804 0.57685160 0.49851679 1\n C C5 1 0.24702948 0.41944925 0.62948738 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52779000\n_cell_length_b 4.29750000\n_cell_length_c 5.07734000\n_cell_angle_alpha 59.62288000\n_cell_angle_beta 83.32621000\n_cell_angle_gamma 94.92879000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.58291725\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28651249 0.65506942 0.43073454 1\n C C1 1 0.09147306 0.32843302 0.40452539 1\n C C2 1 0.00023660 0.86070613 0.95268495 1\n C C3 1 0.46685174 0.95686529 0.07200700 1\n C C4 1 0.56736011 0.36122957 0.96320726 1\n C C5 1 0.94393544 0.99000662 0.63079811 1\n C C6 1 0.03381746 0.45746845 0.08275159 1\n C C7 1 0.74922730 0.66360002 0.60429135 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43185000\n_cell_length_b 4.53475000\n_cell_length_c 6.82087000\n_cell_angle_alpha 82.04574000\n_cell_angle_beta 84.37771000\n_cell_angle_gamma 78.03442000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.69053487\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98664132 0.04201037 0.45805191 1\n C C1 1 0.31551104 0.71113162 0.12790874 1\n C C2 1 0.12142482 0.50965912 0.72661738 1\n C C3 1 0.91727452 0.30920427 0.32579431 1\n C C4 1 0.18772394 0.24269858 0.85933902 1\n C C5 1 0.71878239 0.11008303 -0.07244487 1\n C C6 1 0.58939415 0.64220989 0.65816099 1\n C C7 1 0.52099959 0.90793099 0.52489267 1\n C C8 1 0.38347064 0.44337808 0.25971068 1\n C C9 1 0.78345549 0.84492374 1.06122156 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43821000\n_cell_length_b 6.09340000\n_cell_length_c 5.71238000\n_cell_angle_alpha 60.82850000\n_cell_angle_beta 90.02730000\n_cell_angle_gamma 78.45712000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 72.12760710\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62879961 0.84616458 0.07619690 1\n C C1 1 0.33235289 0.43805132 0.27211742 1\n C C2 1 1.00026958 0.10402612 0.64789210 1\n C C3 1 0.91005859 0.28262754 0.34909809 1\n C C4 1 -0.00119631 0.10677780 0.23311140 1\n C C5 1 0.54033129 0.02394813 0.18979877 1\n C C6 1 0.20669766 0.69073930 1.15391704 1\n C C7 1 0.54098489 1.02291890 0.77737929 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42317000\n_cell_length_b 4.16194000\n_cell_length_c 5.70328000\n_cell_angle_alpha 132.80433000\n_cell_angle_beta 90.41035000\n_cell_angle_gamma 89.60132000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.19852686\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15129183 0.29366859 0.25452524 1\n C C1 1 0.65306866 0.29557229 0.41113586 1\n C C2 1 0.15205075 0.88967599 -0.09078923 1\n C C3 1 0.65160064 0.88920328 0.35078705 1\n C C4 1 0.65215625 0.70045258 0.75617447 1\n C C5 1 0.15210957 0.70019697 0.31454261 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48490000\n_cell_length_b 4.67969000\n_cell_length_c 4.78051000\n_cell_angle_alpha 87.74644000\n_cell_angle_beta 58.65597000\n_cell_angle_gamma 74.60266000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44282787\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59561515 0.21737213 0.24305199 1\n C C1 1 0.04890007 1.07265824 0.36207639 1\n C C2 1 0.53416561 0.52902151 0.64895332 1\n C C3 1 0.11173658 0.76167501 0.95509317 1\n C C4 1 0.25925835 0.53098791 0.42309631 1\n C C5 1 0.63448109 0.18857134 0.71790533 1\n C C6 1 0.00799781 0.10261948 0.88769866 1\n C C7 1 1.38623404 0.75923288 0.18136023 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48775000\n_cell_length_b 3.51748000\n_cell_length_c 5.56009000\n_cell_angle_alpha 90.00435000\n_cell_angle_beta 63.42767000\n_cell_angle_gamma 90.00302000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.51486041\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34858841 0.47980839 0.82416874 1\n C C1 1 0.09938577 0.23028286 0.07375947 1\n C C2 1 0.84857872 0.47996911 0.32316752 1\n C C3 1 0.59938352 0.98008838 0.07375957 1\n C C4 1 0.34858121 0.73038971 0.32317709 1\n C C5 1 0.09794244 -0.02030820 0.57356679 1\n C C6 1 0.84859202 0.73037573 0.82412467 1\n C C7 1 0.59796350 0.23051420 0.57357996 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43252000\n_cell_length_b 4.18208000\n_cell_length_c 7.43975000\n_cell_angle_alpha 83.73429000\n_cell_angle_beta 104.20199000\n_cell_angle_gamma 94.07844000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.85581301\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07587636 0.42235849 0.52597674 1\n C C1 1 1.47691100 0.82189942 0.32575966 1\n C C2 1 0.68091892 1.02456669 0.72837121 1\n C C3 1 0.75068739 0.76084495 0.86302461 1\n C C4 1 0.94601138 0.95761917 0.26049802 1\n C C5 1 0.35064489 0.36012024 1.06280582 1\n C C6 1 0.88187822 0.22458377 0.12810024 1\n C C7 1 0.54283910 0.55679204 0.45933441 1\n C C8 1 0.14486379 0.15723736 0.66002486 1\n C C9 1 0.28445883 0.62649346 0.92979103 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44281000\n_cell_length_b 3.38537000\n_cell_length_c 9.59728000\n_cell_angle_alpha 107.92482000\n_cell_angle_beta 89.94805000\n_cell_angle_gamma 68.94661000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.91686307\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33171204 0.18001063 0.61860642 1\n C C1 1 0.12643290 0.58977015 0.58367616 1\n C C2 1 0.87654525 0.09054275 0.69512174 1\n C C3 1 0.58323797 0.67762635 0.50677932 1\n C C4 1 0.28109543 0.28891133 0.27818700 1\n C C5 1 -0.23315334 0.31952635 0.85368116 1\n C C6 1 0.19187700 0.46936594 -0.07563606 1\n C C7 1 0.44534899 -0.03778188 0.13572730 1\n C C8 1 0.70385347 0.44129550 0.34839917 1\n C C9 1 1.02985879 0.79397279 1.06752859 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48691000\n_cell_length_b 4.06033000\n_cell_length_c 5.31302000\n_cell_angle_alpha 104.11867000\n_cell_angle_beta 117.91879000\n_cell_angle_gamma 89.98465000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.56481356\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42577918 0.97754673 0.10684495 1\n C C1 1 0.73126402 0.21162109 0.41507301 1\n C C2 1 0.69470386 0.40420311 0.87705996 1\n C C3 1 0.27685036 0.74482427 0.45956815 1\n C C4 1 0.34664978 0.41284123 0.53013742 1\n C C5 1 0.89042876 -0.05401250 0.57357152 1\n C C6 1 0.93141410 0.75267408 0.11223102 1\n C C7 1 0.19923303 0.17846569 0.88159937 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44848000\n_cell_length_b 2.54326000\n_cell_length_c 6.49881000\n_cell_angle_alpha 101.59501000\n_cell_angle_beta 89.04201000\n_cell_angle_gamma 94.14956000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.53900005\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63980438 0.99877186 0.28610279 1\n C C1 1 0.64105852 0.89111288 0.06432602 1\n C C2 1 0.13989486 0.05012974 0.39334864 1\n C C3 1 0.14055709 -0.16286883 0.95648734 1\n C C4 1 0.13959493 0.71946462 0.72699602 1\n C C5 1 0.13890323 0.16626174 0.62312650 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51119000\n_cell_length_b 4.19620000\n_cell_length_c 6.44775000\n_cell_angle_alpha 114.67741000\n_cell_angle_beta 103.21129000\n_cell_angle_gamma 95.99217000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.55063286\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56357877 0.38200084 -0.01178574 1\n C C1 1 0.43544578 0.86438835 0.61692778 1\n C C2 1 0.34464819 1.02563466 0.97673047 1\n C C3 1 -0.09304768 0.39251727 0.63506026 1\n C C4 1 0.40233501 0.96971515 0.16656030 1\n C C5 1 0.18937004 0.59252940 0.13449594 1\n C C6 1 0.44595320 0.26669386 0.70972612 1\n C C7 1 1.26192923 0.54446951 0.36410353 1\n C C8 1 1.02105162 0.78948231 0.73104672 1\n C C9 1 0.71258605 0.32324185 0.37496531 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.88804000\n_cell_length_b 3.63634000\n_cell_length_c 4.81845000\n_cell_angle_alpha 112.11843000\n_cell_angle_beta 92.37987000\n_cell_angle_gamma 107.78893000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.92888254\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73420174 0.62827123 0.81642150 1\n C C1 1 0.73778815 0.84264495 0.62556355 1\n C C2 1 0.74432912 0.90529662 0.12607781 1\n C C3 1 -0.25720244 0.28502299 0.12513978 1\n C C4 1 0.73564048 0.24826490 0.81695993 1\n C C5 1 0.74094165 0.69074622 0.31677622 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49368000\n_cell_length_b 4.77747000\n_cell_length_c 7.71322000\n_cell_angle_alpha 71.81545000\n_cell_angle_beta 89.99854000\n_cell_angle_gamma 89.99821000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.30190561\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94004002 1.02367372 0.33287217 1\n C C1 1 0.44015028 0.65068070 0.57886379 1\n C C2 1 0.44014890 0.39111742 0.09993899 1\n C C3 1 -0.06016006 0.84103211 0.19950622 1\n C C4 1 -0.05981985 0.59669129 0.69039358 1\n C C5 1 0.44018765 0.69663027 -0.03732796 1\n C C6 1 0.44001384 0.96420734 0.44476508 1\n C C7 1 0.44002980 0.47122027 0.44517460 1\n C C8 1 0.44010911 0.22343833 0.96259680 1\n C C9 1 0.43991910 0.90264272 0.07597273 1\n C C10 1 0.94011371 0.34260782 0.85906898 1\n C C11 1 0.94019453 0.68297192 0.85869078 1\n C C12 1 0.94016052 0.33372967 0.21362028 1\n C C13 1 -0.05998504 0.52325503 0.33313786 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42857000\n_cell_length_b 3.40027000\n_cell_length_c 6.96294000\n_cell_angle_alpha 55.53376000\n_cell_angle_beta 78.85200000\n_cell_angle_gamma 67.83808000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.88772441\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44979231 0.78714218 1.01031196 1\n C C1 1 0.22646871 0.67776517 0.56591635 1\n C C2 1 -0.10601364 0.01008995 0.89863124 1\n C C3 1 0.11575195 0.12145083 0.34386710 1\n C C4 1 0.55958841 0.34448413 0.23257450 1\n C C5 1 0.78380806 0.45330004 0.67656456 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48815000\n_cell_length_b 4.30425000\n_cell_length_c 4.30402000\n_cell_angle_alpha 99.57995000\n_cell_angle_beta 106.75342000\n_cell_angle_gamma 90.03044000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.46490555\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03291506 -0.05732610 0.65626077 1\n C C1 1 0.53290311 0.44266589 0.65632188 1\n C C2 1 0.21960304 0.00569482 1.03119600 1\n C C3 1 0.46976688 0.75542255 0.53119680 1\n C C4 1 0.28232880 0.69289201 0.15628709 1\n C C5 1 0.96985953 0.25544960 0.53120693 1\n C C6 1 0.78271262 0.19291671 0.15630079 1\n C C7 1 0.71924037 0.50567361 0.03121893 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48106000\n_cell_length_b 3.68994000\n_cell_length_c 6.27534000\n_cell_angle_alpha 40.53337000\n_cell_angle_beta 101.47085000\n_cell_angle_gamma 109.64632000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01203870\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05954243 0.78422771 0.23632911 1\n C C1 1 -0.05801410 0.16908685 0.60894550 1\n C C2 1 0.74109357 0.84590231 0.53396103 1\n C C3 1 0.52013949 0.19402470 0.74000340 1\n C C4 1 0.26028621 0.10682072 0.31188975 1\n C C5 1 0.48069050 0.75796579 0.10520391 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51679000\n_cell_length_b 3.31839000\n_cell_length_c 3.51456000\n_cell_angle_alpha 90.00015000\n_cell_angle_beta 119.94579000\n_cell_angle_gamma 89.99977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53959155\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62375983 0.28781641 0.69494376 1\n C C1 1 0.69577374 0.78781792 0.23079589 1\n C C2 1 -0.07214481 0.62138699 0.69426465 1\n C C3 1 0.92753284 -0.04422176 -0.00091354 1\n C C4 1 0.39153149 0.12132066 0.23146712 1\n C C5 1 0.39155281 0.45581058 -0.07380537 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52978000\n_cell_length_b 4.73119000\n_cell_length_c 5.51543000\n_cell_angle_alpha 90.10172000\n_cell_angle_beta 89.86961000\n_cell_angle_gamma 105.98507000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.46074377\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73633120 0.17809483 0.05603562 1\n C C1 1 0.64479485 0.99886285 0.43442003 1\n C C2 1 0.59156902 0.89084715 0.69155587 1\n C C3 1 1.00294609 0.72037835 0.08587290 1\n C C4 1 0.73676237 0.17737851 0.81420440 1\n C C5 1 0.85535615 0.42491518 0.67336096 1\n C C6 1 -0.14610281 0.42550062 0.19803476 1\n C C7 1 0.80126999 0.31722949 0.43508949 1\n C C8 1 0.00340042 0.71996118 0.78511252 1\n C C9 1 0.59092042 0.89129164 0.17725356 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28674000\n_cell_length_b 3.28964000\n_cell_length_c 4.79957000\n_cell_angle_alpha 106.89622000\n_cell_angle_beta 72.72239000\n_cell_angle_gamma 81.83879000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.90946917\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82609117 0.96045022 0.56633884 1\n C C1 1 0.14560774 0.59936428 -0.11384199 1\n C C2 1 0.32605193 -0.03958764 0.06633562 1\n C C3 1 0.18665276 0.59915860 0.56623847 1\n C C4 1 0.64572012 0.59937189 0.38613410 1\n C C5 1 0.68654492 0.59913463 0.06621850 1\n C C6 1 0.50654340 0.23834233 0.88614086 1\n C C7 1 1.00669555 0.23835289 0.38615179 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43105000\n_cell_length_b 3.93818000\n_cell_length_c 6.78859000\n_cell_angle_alpha 107.11685000\n_cell_angle_beta 112.17532000\n_cell_angle_gamma 89.10155000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.18494632\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10704572 0.22447182 0.28810507 1\n C C1 1 -0.14297973 0.72451896 0.53807147 1\n C C2 1 0.60704644 0.22448417 0.78811933 1\n C C3 1 0.77499762 0.55674156 0.95576663 1\n C C4 1 0.52498808 1.05674127 0.20574552 1\n C C5 1 0.35708634 0.72442845 0.03815216 1\n C C6 1 0.27492006 0.55680650 0.45569001 1\n C C7 1 1.02492527 0.05681278 0.70571692 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68823000\n_cell_length_b 2.48122000\n_cell_length_c 4.21775000\n_cell_angle_alpha 90.02224000\n_cell_angle_beta 75.09493000\n_cell_angle_gamma 70.35763000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96845168\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71654475 0.29022488 0.67508284 1\n C C1 1 0.27050954 0.51413831 0.88147113 1\n C C2 1 0.20214107 0.54557620 0.24619403 1\n C C3 1 0.35951114 0.96683192 0.37668556 1\n C C4 1 0.11445662 0.09224688 0.75044532 1\n C C5 1 0.75634268 -0.23023029 0.45275941 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.75775000\n_cell_length_b 4.50987000\n_cell_length_c 8.25918000\n_cell_angle_alpha 57.18328000\n_cell_angle_beta 74.08687000\n_cell_angle_gamma 89.53918000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 111.39885101\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02302237 0.45020309 0.16786456 1\n C C1 1 0.49803768 0.20433602 0.00549655 1\n C C2 1 0.93121244 0.00623936 0.52508146 1\n C C3 1 0.57380360 0.62916970 0.87456437 1\n C C4 1 0.64700827 0.71902183 0.66523006 1\n C C5 1 0.06738673 0.12256728 0.62580544 1\n C C6 1 0.75731471 0.68282039 0.18595778 1\n C C7 1 1.07918637 0.15125223 0.31135194 1\n C C8 1 0.89732218 0.86362805 0.85045733 1\n C C9 1 0.82324138 0.01685011 0.97901942 1\n C C10 1 0.17317669 0.27438217 0.90944168 1\n C C11 1 0.38673278 0.47787246 0.68588768 1\n C C12 1 0.34617376 0.01419119 0.23174525 1\n C C13 1 0.48366986 0.69455383 0.33097784 1\n C C14 1 0.32035859 0.42345347 0.54757708 1\n C C15 1 0.14004242 0.58328983 0.94913775 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51298000\n_cell_length_b 4.18548000\n_cell_length_c 4.18842000\n_cell_angle_alpha 109.79051000\n_cell_angle_beta 107.47161000\n_cell_angle_gamma 107.43840000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.36645600\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65329660 0.69335317 0.86683996 1\n C C1 1 0.02124987 0.45021408 0.84707864 1\n C C2 1 0.17185781 0.40636154 0.19137470 1\n C C3 1 0.65318358 0.08144152 0.47831298 1\n C C4 1 0.02148495 0.06189777 0.23520907 1\n C C5 1 0.50317819 0.73709513 0.52232914 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45123000\n_cell_length_b 6.16062000\n_cell_length_c 3.98835000\n_cell_angle_alpha 47.39225000\n_cell_angle_beta 89.94734000\n_cell_angle_gamma 78.54321000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.69416265\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65617492 0.44552455 0.40207553 1\n C C1 1 0.34235511 0.07387742 0.45618555 1\n C C2 1 0.59595417 0.56620700 0.57995926 1\n C C3 1 0.18588326 0.38762455 0.27255491 1\n C C4 1 -0.09063532 0.93781896 0.52617110 1\n C C5 1 0.06617096 0.62422271 0.70932605 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51942000\n_cell_length_b 3.31772000\n_cell_length_c 3.51884000\n_cell_angle_alpha 90.01024000\n_cell_angle_beta 120.09242000\n_cell_angle_gamma 90.00029000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54968566\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23173624 0.56160329 0.50017739 1\n C C1 1 0.69542659 0.72776750 0.73174511 1\n C C2 1 0.92640576 0.89584516 0.19518185 1\n C C3 1 0.99976625 0.39571795 0.73235505 1\n C C4 1 0.69474178 0.06158364 0.42727059 1\n C C5 1 0.23108268 0.22777335 0.19596041 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43006000\n_cell_length_b 6.17080000\n_cell_length_c 4.20448000\n_cell_angle_alpha 76.43760000\n_cell_angle_beta 90.09636000\n_cell_angle_gamma 67.90510000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.50534497\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21258382 0.43435541 0.60166959 1\n C C1 1 1.13625231 0.93551455 0.25376911 1\n C C2 1 0.71250845 0.43443463 1.10159001 1\n C C3 1 0.63625301 0.93544379 0.75370945 1\n C C4 1 0.63865852 0.93346633 0.08767131 1\n C C5 1 0.21008910 0.43643697 0.26774267 1\n C C6 1 0.13880119 0.93339289 0.58770979 1\n C C7 1 0.71013751 0.43637344 0.76774777 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.90625000\n_cell_length_b 3.61604000\n_cell_length_c 4.87805000\n_cell_angle_alpha 104.36228000\n_cell_angle_beta 108.51144000\n_cell_angle_gamma 101.63831000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.84344286\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02358784 0.57342351 0.34397429 1\n C C1 1 0.32559569 0.22667609 0.65303934 1\n C C2 1 0.51542462 0.63049019 0.84472116 1\n C C3 1 0.83223778 0.78830597 0.15224868 1\n C C4 1 0.02382330 0.19229018 0.34352310 1\n C C5 1 0.32620728 0.84586707 0.65287472 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48405000\n_cell_length_b 3.82463000\n_cell_length_c 5.97846000\n_cell_angle_alpha 111.69241000\n_cell_angle_beta 78.01075000\n_cell_angle_gamma 71.01813000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.29984172\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01714368 0.22187486 0.41630909 1\n C C1 1 0.41198208 0.91420069 0.86577206 1\n C C2 1 0.13884327 0.85043515 0.47306754 1\n C C3 1 0.64406239 0.73430204 0.57924560 1\n C C4 1 0.91759061 -0.20230922 -0.02793805 1\n C C5 1 1.07451158 0.42617030 0.02833350 1\n C C6 1 0.60174949 0.15086135 0.25107026 1\n C C7 1 0.45685774 0.49691413 0.19333499 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.40402000\n_cell_length_b 3.31634000\n_cell_length_c 10.01147000\n_cell_angle_alpha 91.81883000\n_cell_angle_beta 76.33466000\n_cell_angle_gamma 68.04562000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.29193180\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06435522 0.79050949 0.65652336 1\n C C1 1 0.90391156 0.60071323 0.91096934 1\n C C2 1 0.38897243 0.12709726 0.16472530 1\n C C3 1 0.55195675 0.30705636 0.90900655 1\n C C4 1 0.59953427 0.00340767 0.01652544 1\n C C5 1 0.53613994 0.41096377 0.37649957 1\n C C6 1 0.77276183 0.21802679 0.23547681 1\n C C7 1 0.85808854 -0.09406027 0.80413355 1\n C C8 1 0.67839961 0.70513951 0.58613040 1\n C C9 1 -0.08657655 0.51811379 0.44489228 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47310000\n_cell_length_b 7.52823000\n_cell_length_c 7.96238000\n_cell_angle_alpha 117.89006000\n_cell_angle_beta 87.55622000\n_cell_angle_gamma 102.85313000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 127.41715376\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33922376 0.10392536 0.40487670 1\n C C1 1 0.87130344 0.55808387 0.31176509 1\n C C2 1 1.03865307 0.78392266 0.38184858 1\n C C3 1 0.22944211 0.23559002 0.85323673 1\n C C4 1 0.52770747 0.78724562 0.94205751 1\n C C5 1 0.75585737 0.24220868 0.73844161 1\n C C6 1 0.37765357 0.58925843 0.58464744 1\n C C7 1 0.30385615 0.45373962 0.20274636 1\n C C8 1 0.85038225 0.46679839 0.78470381 1\n C C9 1 0.80895115 0.49223679 0.46160932 1\n C C10 1 0.59835791 0.24838314 0.31292001 1\n C C11 1 0.88154382 0.55141893 0.99222870 1\n C C12 1 0.13958005 0.23575564 0.18541330 1\n C C13 1 0.02303105 0.77779800 0.05244644 1\n C C14 1 0.12971351 0.88568817 0.25916019 1\n C C15 1 0.13653583 0.09064172 0.94976368 1\n C C16 1 0.59449728 0.88001656 0.50733272 1\n C C17 1 0.32234930 0.45622982 1.02161452 1\n C C18 1 0.76342217 0.10126900 0.53036575 1\n C C19 1 0.52263291 0.82315745 0.66133180 1\n C C20 1 0.40569255 0.56618494 0.75835985 1\n C C21 1 0.57392118 0.95024287 0.87667139 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31679000\n_cell_length_b 3.51740000\n_cell_length_c 3.51715000\n_cell_angle_alpha 59.99325000\n_cell_angle_beta 89.99691000\n_cell_angle_gamma 89.99717000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53298663\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63291475 0.75836651 0.10502011 1\n C C1 1 0.79832042 0.29483496 0.33695510 1\n C C2 1 0.46592650 0.98987991 0.64153949 1\n C C3 1 0.13290955 0.29473355 0.64109367 1\n C C4 1 0.96587134 0.06332215 1.10467947 1\n C C5 1 0.29831464 0.75823082 0.40958725 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47338000\n_cell_length_b 5.34189000\n_cell_length_c 6.56027000\n_cell_angle_alpha 65.26135000\n_cell_angle_beta 77.27900000\n_cell_angle_gamma 59.71694000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.97614961\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03465681 0.66634394 0.78981533 1\n C C1 1 0.87256477 0.93283924 0.90636437 1\n C C2 1 0.37398225 0.21991290 0.57252156 1\n C C3 1 0.71100380 0.45352897 0.87450687 1\n C C4 1 0.56056447 0.69449699 0.28776036 1\n C C5 1 0.79773695 0.88950450 0.55163081 1\n C C6 1 0.34547334 -0.09519190 0.40849442 1\n C C7 1 0.09762861 0.23464347 0.25471277 1\n C C8 1 0.19626534 0.14553710 0.82198539 1\n C C9 1 1.10866838 0.70994209 0.14410665 1\n C C10 1 0.80795714 0.36471916 0.44217729 1\n C C11 1 0.53222674 0.37934103 0.12406697 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43018000\n_cell_length_b 4.85015000\n_cell_length_c 4.85398000\n_cell_angle_alpha 76.17826000\n_cell_angle_beta 120.04382000\n_cell_angle_gamma 120.02989000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.87237187\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03281450 1.01205237 1.03653466 1\n C C1 1 0.74331817 0.07044352 0.68915191 1\n C C2 1 0.74652460 0.66479871 0.09783479 1\n C C3 1 0.11805821 0.10111217 0.53335825 1\n C C4 1 0.12158154 0.50921470 0.12818091 1\n C C5 1 0.83179699 0.16144913 0.18652399 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48747000\n_cell_length_b 2.48802000\n_cell_length_c 6.57654000\n_cell_angle_alpha 67.77230000\n_cell_angle_beta 79.07486000\n_cell_angle_gamma 59.97807000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62183030\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14861386 0.61447977 0.69530557 1\n C C1 1 -0.18567373 0.94892967 0.02826827 1\n C C2 1 0.14774525 0.36501144 0.94541717 1\n C C3 1 0.81458953 0.69871623 0.27821469 1\n C C4 1 0.48127922 0.28212245 0.36144591 1\n C C5 1 0.48195187 0.03129795 0.61173230 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48095000\n_cell_length_b 3.68845000\n_cell_length_c 4.83734000\n_cell_angle_alpha 122.53676000\n_cell_angle_beta 75.27928000\n_cell_angle_gamma 109.60707000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00289498\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.17382339 0.00777967 0.64109675 1\n C C1 1 0.56616052 1.06461893 0.21262634 1\n C C2 1 0.60483027 0.76876409 0.84755050 1\n C C3 1 1.14450533 0.35226596 0.34359545 1\n C C4 1 0.02638576 0.48101653 0.71658799 1\n C C5 1 0.34551520 -0.17476097 0.41910577 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.55276000\n_cell_length_b 3.25727000\n_cell_length_c 5.72234000\n_cell_angle_alpha 88.54791000\n_cell_angle_beta 113.54546000\n_cell_angle_gamma 107.97389000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.52996439\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41638267 0.59403111 0.04440556 1\n C C1 1 0.44932366 0.39529302 0.84512167 1\n C C2 1 0.75979622 0.38773639 0.83372844 1\n C C3 1 0.73993160 0.78966510 0.24413549 1\n C C4 1 1.05044367 0.78285457 0.23265768 1\n C C5 1 0.08341923 0.58393553 1.03360770 1\n C C6 1 0.18886403 0.16448289 0.61427972 1\n C C7 1 0.84380123 0.03604420 0.48582267 1\n C C8 1 0.65618820 0.14062649 0.59259084 1\n C C9 1 0.31105149 1.01367679 0.46321753 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39821000\n_cell_length_b 3.39900000\n_cell_length_c 4.11391000\n_cell_angle_alpha 78.53798000\n_cell_angle_beta 78.54705000\n_cell_angle_gamma 93.88118000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.35796807\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00331607 0.24660765 0.92351293 1\n C C1 1 0.19443824 0.91878628 0.47836413 1\n C C2 1 0.52254315 0.72778855 0.92334241 1\n C C3 1 0.81170213 0.05551982 0.68807842 1\n C C4 1 0.33091358 0.53607392 0.68818070 1\n C C5 1 0.78305254 0.50733301 0.13634840 1\n C C6 1 0.55122901 0.27588988 0.47497076 1\n C C7 1 0.13973647 0.86381478 0.13319586 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42980000\n_cell_length_b 6.16493000\n_cell_length_c 4.29474000\n_cell_angle_alpha 70.42875000\n_cell_angle_beta 95.73521000\n_cell_angle_gamma 75.33992000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.42649078\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86482911 0.66676871 0.73648790 1\n C C1 1 0.78199913 0.25000136 0.56888224 1\n C C2 1 0.28203059 0.75000215 0.56895866 1\n C C3 1 0.03207548 0.49999055 1.06893728 1\n C C4 1 0.53204804 0.99985313 0.06876593 1\n C C5 1 0.36487209 0.16660387 0.73628407 1\n C C6 1 0.61482505 0.41659629 0.23637798 1\n C C7 1 0.11474761 0.91659583 0.23635863 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.42609000\n_cell_length_b 4.47632000\n_cell_length_c 6.28285000\n_cell_angle_alpha 104.92733000\n_cell_angle_beta 97.93594000\n_cell_angle_gamma 98.89500000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 116.75070136\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43100840 0.82098926 0.15753536 1\n C C1 1 0.75983773 0.49891710 -0.04117409 1\n C C2 1 0.26969450 0.97955252 0.48902348 1\n C C3 1 0.46626851 0.78578812 0.76145772 1\n C C4 1 0.46495203 0.79114022 0.38531364 1\n C C5 1 0.22040759 0.02894043 0.15567370 1\n C C6 1 0.79532516 0.45832028 0.55342476 1\n C C7 1 0.58656408 0.66599079 0.55757521 1\n C C8 1 0.07802897 0.17462518 0.80835130 1\n C C9 1 0.07153337 0.18039370 0.02543781 1\n C C10 1 -0.12148177 0.37058048 0.13062971 1\n C C11 1 0.11735835 0.12735524 0.35820073 1\n C C12 1 0.91055469 0.33924792 0.35779229 1\n C C13 1 0.26696435 0.98919081 0.70713655 1\n C C14 1 0.88144775 0.38086371 0.75594337 1\n C C15 1 0.55002889 0.70571624 -0.03726973 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46044000\n_cell_length_b 2.55102000\n_cell_length_c 6.27915000\n_cell_angle_alpha 102.23379000\n_cell_angle_beta 78.80304000\n_cell_angle_gamma 89.67016000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 37.73851016\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19105089 0.52696047 0.41796158 1\n C C1 1 0.07515530 0.63744236 0.64809395 1\n C C2 1 0.51002728 0.70427968 0.77941989 1\n C C3 1 0.74970782 0.47134718 0.30041808 1\n C C4 1 0.86558076 0.35927825 0.07077502 1\n C C5 1 0.43143575 0.29205966 0.93971918 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68572000\n_cell_length_b 3.79610000\n_cell_length_c 3.93356000\n_cell_angle_alpha 102.87669000\n_cell_angle_beta 56.86153000\n_cell_angle_gamma 99.75860000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.84877231\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31381134 0.13939629 0.99653107 1\n C C1 1 0.25608933 0.63799982 0.55825909 1\n C C2 1 0.87532005 0.63827198 0.93936000 1\n C C3 1 -0.09048577 0.94595270 0.21102709 1\n C C4 1 0.52873170 0.94631231 0.59223405 1\n C C5 1 0.47095085 0.44483681 0.15389630 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63074000\n_cell_length_b 3.26828000\n_cell_length_c 3.27467000\n_cell_angle_alpha 99.17547000\n_cell_angle_beta 75.51037000\n_cell_angle_gamma 104.45369000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.23587606\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23103471 0.19067050 0.59460977 1\n C C1 1 0.84966234 0.56203177 0.17852511 1\n C C2 1 0.46769636 0.97735638 0.80728771 1\n C C3 1 0.84943500 0.24522572 0.86088483 1\n C C4 1 0.46774174 0.61624231 0.44696227 1\n C C5 1 0.23132325 0.83008311 0.23309540 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42841000\n_cell_length_b 4.56233000\n_cell_length_c 4.77239000\n_cell_angle_alpha 83.47524000\n_cell_angle_beta 90.42995000\n_cell_angle_gamma 101.97855000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.53919035\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58076561 0.09891687 0.15129884 1\n C C1 1 0.19922014 0.85642369 0.53517763 1\n C C2 1 0.45425428 0.31617075 0.28114981 1\n C C3 1 0.00255130 0.62261025 0.73584272 1\n C C4 1 0.42985455 0.82537140 0.30632020 1\n C C5 1 0.56205999 0.60875127 0.17843698 1\n C C6 1 0.21173164 0.17929152 0.52355082 1\n C C7 1 0.81171465 0.06861725 0.92247039 1\n C C8 1 0.80175286 0.74643665 -0.06490211 1\n C C9 1 0.01314317 0.30357635 0.72367862 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48782000\n_cell_length_b 4.30530000\n_cell_length_c 4.30492000\n_cell_angle_alpha 70.55470000\n_cell_angle_beta 89.97045000\n_cell_angle_gamma 89.99725000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47910051\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64527242 1.01739143 0.82415229 1\n C C1 1 0.64535903 0.89232342 0.19910851 1\n C C2 1 1.14535903 0.39232342 0.19910851 1\n C C3 1 0.64527242 0.51739143 0.32415229 1\n C C4 1 0.14535903 0.89232342 0.69910851 1\n C C5 1 1.14527242 0.01739143 0.32415229 1\n C C6 1 0.14527242 0.51739143 0.82415229 1\n C C7 1 0.64535903 0.39232342 0.69910851 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43015000\n_cell_length_b 5.51645000\n_cell_length_c 4.23364000\n_cell_angle_alpha 49.36084000\n_cell_angle_beta 89.89902000\n_cell_angle_gamma 89.83872000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.06727275\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57923259 0.52228045 0.46694018 1\n C C1 1 0.57917173 0.93656256 0.46943623 1\n C C2 1 0.07923528 0.94827523 0.61495916 1\n C C3 1 0.57921522 0.87644524 0.17566370 1\n C C4 1 1.07919631 0.36505373 0.61249619 1\n C C5 1 0.07916815 0.01119519 -0.09377696 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.84752000\n_cell_length_b 3.62679000\n_cell_length_c 4.81855000\n_cell_angle_alpha 112.11702000\n_cell_angle_beta 96.54664000\n_cell_angle_gamma 93.71210000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.48609572\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13639999 0.14177136 0.20256320 1\n C C1 1 0.13546986 0.54682512 0.39397102 1\n C C2 1 0.13383311 0.48732219 0.89417872 1\n C C3 1 1.13427855 0.70102853 0.70296375 1\n C C4 1 0.13335750 0.10601939 0.89436377 1\n C C5 1 1.13544789 0.76016352 0.20251444 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48511000\n_cell_length_b 3.31856000\n_cell_length_c 9.45852000\n_cell_angle_alpha 112.41378000\n_cell_angle_beta 77.73065000\n_cell_angle_gamma 103.36033000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.48548288\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47948410 0.22440510 0.80043084 1\n C C1 1 0.71667298 0.25299172 0.32705579 1\n C C2 1 0.63249956 0.70044235 0.91282374 1\n C C3 1 1.03201743 0.12478056 0.69908947 1\n C C4 1 0.21306473 0.97249724 0.91263772 1\n C C5 1 0.62368975 0.63554055 0.07009348 1\n C C6 1 0.06493113 0.35148509 0.06980718 1\n C C7 1 0.79384110 0.09637969 0.17247391 1\n C C8 1 0.29770550 0.37663782 0.58692758 1\n C C9 1 0.87842004 0.64960466 0.58679507 1\n C C10 1 0.44636636 -0.00271489 0.42960740 1\n C C11 1 -0.11297677 0.71414391 0.42960953 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43039000\n_cell_length_b 3.38691000\n_cell_length_c 8.83210000\n_cell_angle_alpha 95.78050000\n_cell_angle_beta 97.33703000\n_cell_angle_gamma 90.62188000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.71888748\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61289654 0.20172632 0.97013914 1\n C C1 1 0.07829813 1.07318170 0.90294357 1\n C C2 1 0.67974608 0.46879344 0.10378350 1\n C C3 1 0.80951293 0.00124109 0.37018698 1\n C C4 1 0.87432176 0.27253718 0.50287021 1\n C C5 1 0.40727552 0.40685964 0.56902679 1\n C C6 1 0.27738484 0.86795125 0.30388845 1\n C C7 1 0.47467539 0.67670225 0.70206355 1\n C C8 1 0.21259452 0.59873735 0.17065915 1\n C C9 1 0.00952359 -0.19328892 0.76906766 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48070000\n_cell_length_b 3.68942000\n_cell_length_c 4.21812000\n_cell_angle_alpha 104.82416000\n_cell_angle_beta 89.98698000\n_cell_angle_gamma 109.68538000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98252165\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12901012 0.72485457 0.66229049 1\n C C1 1 0.58582749 0.63787219 1.15816531 1\n C C2 1 0.90465316 0.27912038 0.45589797 1\n C C3 1 0.70717788 0.88103164 0.53101286 1\n C C4 1 0.38574151 0.24031606 0.23396721 1\n C C5 1 0.16425435 0.79509385 1.02737366 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43819000\n_cell_length_b 5.25398000\n_cell_length_c 6.45765000\n_cell_angle_alpha 124.14940000\n_cell_angle_beta 102.30023000\n_cell_angle_gamma 95.73363000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.37720176\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35148881 0.61878054 0.93301906 1\n C C1 1 0.09407487 1.03888820 0.44991215 1\n C C2 1 0.80999539 0.46604225 0.89754341 1\n C C3 1 0.45168663 0.97330903 0.08030125 1\n C C4 1 0.26189707 0.46658159 0.32072721 1\n C C5 1 -0.12493924 0.61864333 0.43861761 1\n C C6 1 0.97649971 0.13082553 0.06420241 1\n C C7 1 0.54711608 0.04020672 0.34418110 1\n C C8 1 0.75764878 0.12987770 0.81957852 1\n C C9 1 1.12663172 0.97265110 0.64772268 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42805000\n_cell_length_b 5.74015000\n_cell_length_c 4.03284000\n_cell_angle_alpha 85.04763000\n_cell_angle_beta 90.08348000\n_cell_angle_gamma 129.41896000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.15517863\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48826143 1.03775037 0.54224835 1\n C C1 1 0.15293539 0.48103717 0.98793310 1\n C C2 1 0.48637367 0.70321370 1.21084504 1\n C C3 1 0.48859387 0.37146714 0.87532301 1\n C C4 1 0.15055365 -0.18726513 0.32357791 1\n C C5 1 1.15151679 1.14666835 0.65630589 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46274000\n_cell_length_b 5.08150000\n_cell_length_c 7.03998000\n_cell_angle_alpha 106.10390000\n_cell_angle_beta 79.91564000\n_cell_angle_gamma 90.00398000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.22687451\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48110659 0.83015139 0.57980456 1\n C C1 1 0.58086812 0.74624072 0.38000793 1\n C C2 1 0.82554855 0.79930620 0.88917171 1\n C C3 1 0.52566109 0.29356774 0.50251075 1\n C C4 1 1.07362719 0.23268193 0.40374278 1\n C C5 1 0.41044141 0.35374256 0.72536273 1\n C C6 1 0.17039421 1.02981290 0.20547958 1\n C C7 1 0.73017278 1.04779797 1.08380263 1\n C C8 1 0.13963330 0.73613402 0.26214831 1\n C C9 1 0.32757294 0.62767604 -0.11327146 1\n C C10 1 0.87948246 0.22310540 0.78682053 1\n C C11 1 0.76420019 0.31664312 0.01878816 1\n C C12 1 0.23901512 0.50149539 0.06626680 1\n C C13 1 0.92103615 -0.09244069 0.70145599 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48484000\n_cell_length_b 4.15849000\n_cell_length_c 8.10696000\n_cell_angle_alpha 120.87404000\n_cell_angle_beta 107.85236000\n_cell_angle_gamma 90.00312000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.15647407\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32362929 0.75738262 0.02477906 1\n C C1 1 0.75888437 0.86916586 0.95921451 1\n C C2 1 -0.06892271 0.38584350 0.62875222 1\n C C3 1 0.70269941 0.28219697 0.40157002 1\n C C4 1 0.54497619 0.85088060 0.24561473 1\n C C5 1 0.41836249 0.85019988 0.61817000 1\n C C6 1 1.04086596 0.62255404 0.24158685 1\n C C7 1 0.81166955 0.27210344 1.01447901 1\n C C8 1 0.19815264 0.50232449 0.39727142 1\n C C9 1 0.21888438 0.33093276 0.92168775 1\n C C10 1 0.52364231 0.63050874 0.72141987 1\n C C11 1 -0.01662837 1.09327581 0.68397557 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48427000\n_cell_length_b 3.82192000\n_cell_length_c 5.22519000\n_cell_angle_alpha 98.85991000\n_cell_angle_beta 89.99731000\n_cell_angle_gamma 71.06105000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.29936930\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06360585 0.11041005 0.29957249 1\n C C1 1 -0.05586291 0.35226521 0.84958157 1\n C C2 1 0.51774450 0.20460852 0.46438959 1\n C C3 1 0.55444096 0.13015556 0.74387092 1\n C C4 1 0.76950903 0.70222128 0.68692915 1\n C C5 1 0.31517760 0.60845298 0.52213323 1\n C C6 1 0.27856500 0.68159573 0.24232943 1\n C C7 1 -0.11154922 0.45965386 0.13622391 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48087000\n_cell_length_b 3.68736000\n_cell_length_c 4.89764000\n_cell_angle_alpha 66.75705000\n_cell_angle_beta 59.54177000\n_cell_angle_gamma 70.33287000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.95460957\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74124977 0.70536646 0.81866503 1\n C C1 1 0.70078055 0.79597678 0.31378895 1\n C C2 1 0.71698119 0.34964182 0.52084459 1\n C C3 1 0.03272383 0.86229664 0.94910183 1\n C C4 1 0.01660200 0.30857824 0.74223173 1\n C C5 1 -0.00861984 -0.04738775 0.44454138 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.81104000\n_cell_length_b 3.74615000\n_cell_length_c 5.70365000\n_cell_angle_alpha 89.86991000\n_cell_angle_beta 102.02139000\n_cell_angle_gamma 85.64498000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.56585607\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78561716 0.85624709 -0.07009267 1\n C C1 1 0.78978714 0.48216249 0.46835824 1\n C C2 1 0.78722292 0.85692207 0.46829689 1\n C C3 1 0.79039425 0.16950309 0.31972115 1\n C C4 1 0.78933333 0.98707211 0.69948338 1\n C C5 1 0.78813003 0.48143433 0.92989264 1\n C C6 1 0.78463822 0.16946734 0.07864691 1\n C C7 1 0.78739246 0.35128008 0.69886106 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48848000\n_cell_length_b 3.51760000\n_cell_length_c 4.30673000\n_cell_angle_alpha 65.90405000\n_cell_angle_beta 73.20576000\n_cell_angle_gamma 89.99205000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.64529750\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67819385 0.28795667 0.34777287 1\n C C1 1 1.01152718 0.62129001 0.68110620 1\n C C2 1 0.34486051 0.95462334 0.01443953 1\n C C3 1 0.17804085 0.53750706 0.34799343 1\n C C4 1 0.51137419 -0.12915961 0.68132677 1\n C C5 1 0.84470752 1.20417373 0.01466010 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48306000\n_cell_length_b 3.47894000\n_cell_length_c 5.27017000\n_cell_angle_alpha 99.16222000\n_cell_angle_beta 99.16795000\n_cell_angle_gamma 87.59849000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.23143395\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33184091 0.32883120 0.99641742 1\n C C1 1 -0.18987878 0.80841182 0.25055943 1\n C C2 1 0.18707103 0.68826004 0.41329126 1\n C C3 1 0.38451394 0.06233061 0.57039006 1\n C C4 1 0.53185703 1.04633187 0.84922326 1\n C C5 1 0.69024642 0.18541282 0.41375063 1\n C C6 1 0.48902021 0.48702208 0.25999301 1\n C C7 1 0.04970156 0.52996187 0.84960987 1\n C C8 1 0.06459223 0.38251372 0.57056003 1\n C C9 1 0.81719464 0.81487638 0.96880953 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51144000\n_cell_length_b 3.94073000\n_cell_length_c 4.77777000\n_cell_angle_alpha 86.79925000\n_cell_angle_beta 81.57005000\n_cell_angle_gamma 80.07696000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.05184757\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59612517 0.96785334 0.21694727 1\n C C1 1 1.13848077 0.72636791 0.21241823 1\n C C2 1 0.70585663 0.23774298 0.96987357 1\n C C3 1 0.41230856 0.15425424 0.50039943 1\n C C4 1 0.22210369 0.52344080 0.47189801 1\n C C5 1 0.16067453 0.47878977 0.97466862 1\n C C6 1 0.88611174 0.05333162 0.68571148 1\n C C7 1 0.07372871 0.68304744 0.71558358 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35718000\n_cell_length_b 4.39060000\n_cell_length_c 5.94845000\n_cell_angle_alpha 53.40515000\n_cell_angle_beta 54.89830000\n_cell_angle_gamma 76.13252000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.87901800\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44112151 0.02413002 0.74542901 1\n C C1 1 0.44108145 0.52411080 0.24545703 1\n C C2 1 1.10847979 0.19157252 0.91175655 1\n C C3 1 -0.05892324 0.52414101 0.74542641 1\n C C4 1 0.60845524 0.69156423 0.91177466 1\n C C5 1 -0.05891607 0.02412300 0.24544112 1\n C C6 1 0.10844040 0.69157314 0.41178584 1\n C C7 1 0.60846671 0.19156127 0.41178278 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03934000\n_cell_length_b 4.24156000\n_cell_length_c 6.00731000\n_cell_angle_alpha 105.76451000\n_cell_angle_beta 93.72843000\n_cell_angle_gamma 105.93727000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.84535853\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17554593 0.31581382 0.98208406 1\n C C1 1 0.05562789 0.37829372 0.77474309 1\n C C2 1 0.18795633 0.58326725 0.19359271 1\n C C3 1 0.92365923 0.51524248 0.35828883 1\n C C4 1 0.05538390 0.72045693 0.77924727 1\n C C5 1 0.39075404 0.93219979 0.18991334 1\n C C6 1 0.72279397 0.16590043 0.36205527 1\n C C7 1 0.20765113 0.99590103 0.98503294 1\n C C8 1 0.93972118 0.78326803 0.57123235 1\n C C9 1 0.90784290 1.10341322 0.56792884 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44669000\n_cell_length_b 4.56907000\n_cell_length_c 6.38154000\n_cell_angle_alpha 87.41241000\n_cell_angle_beta 101.02689000\n_cell_angle_gamma 105.45532000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.48934715\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09761927 0.15668051 0.86090708 1\n C C1 1 0.46275351 0.60951894 0.14848907 1\n C C2 1 -0.25347499 0.60388184 0.71277138 1\n C C3 1 0.19469018 0.46239493 0.74825585 1\n C C4 1 0.65614422 -0.05869906 0.20198588 1\n C C5 1 0.35107370 0.98919687 0.53900570 1\n C C6 1 0.24492562 -0.00784543 0.32848630 1\n C C7 1 0.67000390 0.15865762 0.00582692 1\n C C8 1 0.87599636 0.46745814 0.11446750 1\n C C9 1 0.88714634 0.93631205 0.66450241 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47124000\n_cell_length_b 3.76448000\n_cell_length_c 8.72053000\n_cell_angle_alpha 112.16853000\n_cell_angle_beta 115.17681000\n_cell_angle_gamma 89.99571000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.73454183\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60781313 0.14008231 0.10219727 1\n C C1 1 0.47628836 0.69393468 0.34956991 1\n C C2 1 0.33760123 0.90794609 0.92192084 1\n C C3 1 0.48081462 0.06925528 0.35267732 1\n C C4 1 0.77744650 0.36224713 0.54851504 1\n C C5 1 0.77436805 0.74757523 0.54639133 1\n C C6 1 0.44807675 0.35656599 0.66213515 1\n C C7 1 0.44309488 0.95333852 0.65881324 1\n C C8 1 0.67276889 0.79055374 0.81220291 1\n C C9 1 0.27887938 0.26108192 0.21670559 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39839000\n_cell_length_b 2.45875000\n_cell_length_c 5.32298000\n_cell_angle_alpha 90.00204000\n_cell_angle_beta 83.49875000\n_cell_angle_gamma 111.19182000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.16308094\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43224401 0.88088415 0.90040883 1\n C C1 1 0.08842760 0.70868245 0.70603067 1\n C C2 1 0.62924917 0.47883591 0.77252177 1\n C C3 1 0.37178296 0.85436280 0.17576797 1\n C C4 1 0.35159469 0.34403924 0.30314860 1\n C C5 1 0.28621037 0.30745155 0.57860637 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52123000\n_cell_length_b 4.69578000\n_cell_length_c 5.15679000\n_cell_angle_alpha 86.90181000\n_cell_angle_beta 81.97851000\n_cell_angle_gamma 106.69237000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.62124607\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72176277 0.82210412 0.72274607 1\n C C1 1 0.82329854 0.16285068 0.77207651 1\n C C2 1 0.72048193 0.69999053 -0.00263120 1\n C C3 1 0.51572998 0.30466014 0.37302725 1\n C C4 1 -0.03484303 -0.06233744 0.15338220 1\n C C5 1 0.01710918 0.38853104 0.52374916 1\n C C6 1 0.22083124 0.73810118 0.57227778 1\n C C7 1 0.41528820 0.96397789 0.32340985 1\n C C8 1 0.27441413 0.18919656 -0.05912440 1\n C C9 1 0.51721885 0.42675819 0.09761648 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44273000\n_cell_length_b 6.24248000\n_cell_length_c 4.20250000\n_cell_angle_alpha 105.92996000\n_cell_angle_beta 89.99778000\n_cell_angle_gamma 101.26932000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.33594623\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07483363 0.01197031 0.72977760 1\n C C1 1 0.21369669 0.30107924 0.55932965 1\n C C2 1 0.19751697 0.26106363 0.88794130 1\n C C3 1 0.52346267 0.90755460 0.61322652 1\n C C4 1 0.87112372 0.60227474 0.23504268 1\n C C5 1 0.42419510 0.70768564 0.35107928 1\n C C6 1 0.71909147 0.31215482 0.40657785 1\n C C7 1 0.74235574 0.35185882 0.07814332 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.02453000\n_cell_length_b 5.98962000\n_cell_length_c 4.72130000\n_cell_angle_alpha 73.93467000\n_cell_angle_beta 79.49955000\n_cell_angle_gamma 69.87836000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 102.21019647\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40473485 0.71994749 0.19464982 1\n C C1 1 0.26712358 0.58495676 0.44967479 1\n C C2 1 -0.33604526 0.98429569 0.41428607 1\n C C3 1 0.83738302 0.15989627 0.93911958 1\n C C4 1 0.56891131 0.88828661 0.20783838 1\n C C5 1 0.67310229 0.99912811 0.92224056 1\n C C6 1 0.83862220 0.15934200 0.24259949 1\n C C7 1 0.11572281 0.42659939 -0.06104927 1\n C C8 1 1.09079701 0.41120064 0.46463092 1\n C C9 1 0.41130106 0.73381428 0.87587641 1\n C C10 1 0.58180136 0.91119196 0.71467723 1\n C C11 1 1.00522298 0.31912087 0.76003295 1\n C C12 1 0.27955274 0.59555474 0.75886395 1\n C C13 1 1.01586446 0.33391848 0.23785911 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42633000\n_cell_length_b 4.22685000\n_cell_length_c 4.22617000\n_cell_angle_alpha 88.27001000\n_cell_angle_beta 89.96451000\n_cell_angle_gamma 90.00790000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.32270642\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45527814 0.63134331 0.78307960 1\n C C1 1 0.95531676 0.78783315 0.75962627 1\n C C2 1 0.45528699 0.28208991 0.84373110 1\n C C3 1 0.95534358 0.13681557 0.69776438 1\n C C4 1 0.95536369 0.19601034 0.34908597 1\n C C5 1 0.45543534 0.22138152 0.19223438 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48105000\n_cell_length_b 4.89236000\n_cell_length_c 4.83366000\n_cell_angle_alpha 44.57247000\n_cell_angle_beta 75.20682000\n_cell_angle_gamma 59.58906000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97016037\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33764925 -0.00560063 0.39775807 1\n C C1 1 0.31281207 0.33922972 0.75533260 1\n C C2 1 0.29651481 0.57851759 0.30948017 1\n C C3 1 0.62848914 0.28194079 0.24090047 1\n C C4 1 0.61228441 0.52106933 0.79508699 1\n C C5 1 0.58785601 0.86590371 0.15271681 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64368000\n_cell_length_b 2.44669000\n_cell_length_c 8.30837000\n_cell_angle_alpha 98.53592000\n_cell_angle_beta 93.80577000\n_cell_angle_gamma 109.58023000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.47454913\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43600064 1.06651079 0.92369321 1\n C C1 1 0.65604256 0.71018422 0.98947885 1\n C C2 1 0.95150011 0.56940780 0.41945963 1\n C C3 1 0.21445181 0.32450525 0.66698060 1\n C C4 1 0.81095299 0.41575350 0.24305105 1\n C C5 1 0.15795774 0.53793789 0.13869161 1\n C C6 1 0.29901562 0.90677889 0.74644085 1\n C C7 1 0.08957690 -0.05128833 0.02905703 1\n C C8 1 0.59113246 0.77402389 0.17814740 1\n C C9 1 1.03377077 0.15004740 0.49894437 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48087000\n_cell_length_b 4.57975000\n_cell_length_c 4.48410000\n_cell_angle_alpha 72.52647000\n_cell_angle_beta 56.41433000\n_cell_angle_gamma 57.17616000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.66586002\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14716969 0.12390016 0.11068071 1\n C C1 1 1.41031753 0.12353106 0.34798008 1\n C C2 1 0.55672876 0.71470975 0.11025052 1\n C C3 1 0.11881508 0.41931169 0.84383791 1\n C C4 1 0.81986790 0.71436178 0.34753530 1\n C C5 1 -0.15126656 0.41900716 0.61426587 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52260000\n_cell_length_b 4.45087000\n_cell_length_c 4.30776000\n_cell_angle_alpha 103.08146000\n_cell_angle_beta 94.67188000\n_cell_angle_gamma 97.42210000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.40888009\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52976114 0.09302717 0.62927057 1\n C C1 1 0.57854078 0.75218858 0.59803585 1\n C C2 1 0.16904873 0.78404428 0.11591823 1\n C C3 1 0.34335500 0.12436494 0.29585788 1\n C C4 1 0.63044824 0.66340680 0.91593641 1\n C C5 1 -0.13253509 0.29177411 0.21925009 1\n C C6 1 0.04018724 0.63205122 0.39759562 1\n C C7 1 0.68067296 0.32266850 0.88591255 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47179000\n_cell_length_b 3.22909000\n_cell_length_c 5.74736000\n_cell_angle_alpha 80.36382000\n_cell_angle_beta 64.51523000\n_cell_angle_gamma 67.49898000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.25720485\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44703540 0.20885245 0.33678386 1\n C C1 1 0.84708641 0.84803927 0.11759803 1\n C C2 1 0.49972403 0.84798251 -0.03507519 1\n C C3 1 0.40945495 0.84618878 0.55573785 1\n C C4 1 -0.19186721 0.48592631 0.33705683 1\n C C5 1 0.75695643 0.84585738 0.70869642 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46000000\n_cell_length_b 6.72024000\n_cell_length_c 6.20405000\n_cell_angle_alpha 63.68243000\n_cell_angle_beta 63.80504000\n_cell_angle_gamma 90.12584000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.95537643\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.17491056 0.53664876 0.37281055 1\n C C1 1 0.62218207 0.36747107 0.81417400 1\n C C2 1 1.03357997 -0.07632162 0.84894953 1\n C C3 1 0.51550789 0.26215182 0.31957732 1\n C C4 1 0.28100612 0.16272531 0.61447653 1\n C C5 1 0.99916484 0.75914928 0.32590669 1\n C C6 1 0.10794574 0.72622460 0.76447964 1\n C C7 1 0.32555465 0.13027974 0.05790120 1\n C C8 1 0.32190901 0.36464274 0.65239342 1\n C C9 1 0.39734837 0.82946753 0.43895857 1\n C C10 1 0.35662522 0.92385586 1.01366758 1\n C C11 1 0.48389342 0.56796491 0.88770471 1\n C C12 1 0.62370303 0.08935505 0.23331138 1\n C C13 1 0.11767883 0.42926896 0.20599617 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33329000\n_cell_length_b 3.32968000\n_cell_length_c 6.52252000\n_cell_angle_alpha 97.23545000\n_cell_angle_beta 82.43681000\n_cell_angle_gamma 89.14112000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.15415290\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56309164 0.34948566 0.53486301 1\n C C1 1 0.55237110 0.03171112 0.19367663 1\n C C2 1 0.21623242 0.69805990 0.51939025 1\n C C3 1 -0.01208120 0.89086282 0.73312642 1\n C C4 1 0.84954380 0.31754001 0.19257218 1\n C C5 1 0.32677082 0.05129700 0.40840659 1\n C C6 1 0.08438849 0.45884226 1.00327862 1\n C C7 1 0.28505213 0.09132359 0.86650362 1\n C C8 1 0.78740492 0.59230946 0.86766612 1\n C C9 1 0.96712412 0.37701522 0.40739212 1\n C C10 1 0.41688707 0.79399051 0.00346058 1\n C C11 1 0.65051370 0.22779614 0.73811366 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43279000\n_cell_length_b 6.41275000\n_cell_length_c 8.58251000\n_cell_angle_alpha 77.45633000\n_cell_angle_beta 73.53438000\n_cell_angle_gamma 79.23244000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 124.21143887\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06282509 0.33106965 0.51449513 1\n C C1 1 0.88512399 0.35805218 0.68181874 1\n C C2 1 0.40470347 0.79158841 0.45613648 1\n C C3 1 0.99663632 0.76169717 0.37958697 1\n C C4 1 0.64511428 0.33732465 0.43010042 1\n C C5 1 -0.18893644 0.38127263 0.24689054 1\n C C6 1 0.54372645 1.07231775 0.17171047 1\n C C7 1 0.51962355 0.47822314 -0.00664470 1\n C C8 1 0.45130281 0.90019021 0.85955816 1\n C C9 1 0.70345265 0.85512176 0.12605595 1\n C C10 1 0.32745716 0.50221103 0.17175789 1\n C C11 1 -0.02937651 0.16672267 0.19685717 1\n C C12 1 0.18714379 0.73501331 0.20215355 1\n C C13 1 0.29339865 0.38726468 0.75947369 1\n C C14 1 0.21786898 0.85309026 0.61315573 1\n C C15 1 0.86992740 0.89303767 0.94375787 1\n C C16 1 0.11089604 0.44909050 0.91654409 1\n C C17 1 0.62663421 0.87986683 0.69124974 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.78028000\n_cell_length_b 3.63969000\n_cell_length_c 4.81948000\n_cell_angle_alpha 112.38484000\n_cell_angle_beta 100.14336000\n_cell_angle_gamma 92.68226000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.04151391\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80328894 0.59159505 0.32603660 1\n C C1 1 0.80371873 -0.00294963 0.51779279 1\n C C2 1 -0.20184572 -0.06332776 0.01768236 1\n C C3 1 0.79814770 0.14980539 0.82612166 1\n C C4 1 0.80288178 0.20967168 0.32586259 1\n C C5 1 0.79835706 0.55511128 0.01792120 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63497000\n_cell_length_b 2.89525000\n_cell_length_c 4.82082000\n_cell_angle_alpha 93.69516000\n_cell_angle_beta 112.13025000\n_cell_angle_gamma 107.45230000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.92092959\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32713443 0.91756664 0.21459247 1\n C C1 1 0.60386796 0.92660002 0.52410000 1\n C C2 1 -0.01615411 -0.07418572 0.52333400 1\n C C3 1 0.94766674 0.91934425 0.21574397 1\n C C4 1 0.39031388 0.92389626 0.71525708 1\n C C5 1 0.54106021 -0.07952254 0.02363538 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54780000\n_cell_length_b 2.43903000\n_cell_length_c 7.23400000\n_cell_angle_alpha 88.57975000\n_cell_angle_beta 118.50687000\n_cell_angle_gamma 92.39941000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.46787776\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48192173 0.88302020 1.02152029 1\n C C1 1 0.62488462 0.38456332 0.46276751 1\n C C2 1 0.97729527 0.38406702 0.68404453 1\n C C3 1 0.45353897 0.88586320 0.35512463 1\n C C4 1 0.14936108 0.88280889 0.79180476 1\n C C5 1 0.12227643 0.88486166 0.12538347 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42648000\n_cell_length_b 6.35610000\n_cell_length_c 4.22768000\n_cell_angle_alpha 129.92198000\n_cell_angle_beta 89.97851000\n_cell_angle_gamma 112.48937000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.35079413\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46160626 0.64744352 0.44608718 1\n C C1 1 0.52878213 0.21421918 0.57884121 1\n C C2 1 -0.12237000 0.56326195 0.86764563 1\n C C3 1 0.52298949 0.70829697 0.15767151 1\n C C4 1 0.87215171 0.05737507 0.44580123 1\n C C5 1 0.93851512 0.62385972 0.57934055 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48542000\n_cell_length_b 4.67881000\n_cell_length_c 4.08810000\n_cell_angle_alpha 83.31944000\n_cell_angle_beta 90.00612000\n_cell_angle_gamma 105.42288000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.49302244\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03585392 0.87023915 0.81320178 1\n C C1 1 0.42133113 0.64110253 0.34432077 1\n C C2 1 0.53473424 0.86783765 0.58634509 1\n C C3 1 0.92028868 0.63934933 0.11935930 1\n C C4 1 0.20681630 0.21228148 0.88012176 1\n C C5 1 0.26489988 0.32639289 0.52469774 1\n C C6 1 0.69279446 0.18246235 0.40632274 1\n C C7 1 0.74969109 0.29852682 0.05036622 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39943000\n_cell_length_b 4.70820000\n_cell_length_c 5.14230000\n_cell_angle_alpha 95.99848000\n_cell_angle_beta 115.39886000\n_cell_angle_gamma 95.53259000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.02188221\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11088855 0.43230727 0.21837075 1\n C C1 1 1.26850839 0.55726437 0.47437283 1\n C C2 1 0.75578697 0.03717282 0.46981197 1\n C C3 1 0.60488143 0.79733426 0.56703504 1\n C C4 1 1.24471975 0.03840692 -0.03819903 1\n C C5 1 0.13684918 0.17438227 0.71645517 1\n C C6 1 0.90737538 0.79944656 0.87017757 1\n C C7 1 0.62488385 0.16239890 0.21803416 1\n C C8 1 0.75700834 0.55843021 0.96684758 1\n C C9 1 0.37514777 0.42262912 0.72021406 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47482000\n_cell_length_b 3.72204000\n_cell_length_c 4.24900000\n_cell_angle_alpha 64.02437000\n_cell_angle_beta 90.00489000\n_cell_angle_gamma 90.00332000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18532894\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95494810 0.87420835 0.98188151 1\n C C1 1 0.45490247 0.07778984 0.75880734 1\n C C2 1 -0.04474224 0.46638645 -0.01845841 1\n C C3 1 0.95525730 0.03119893 0.25967765 1\n C C4 1 0.45517166 0.48561555 0.75901598 1\n C C5 1 0.45527852 0.92061757 0.48103644 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43241000\n_cell_length_b 4.39258000\n_cell_length_c 6.12238000\n_cell_angle_alpha 68.58932000\n_cell_angle_beta 103.57573000\n_cell_angle_gamma 102.91385000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.50866504\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48524798 0.40760430 0.68685749 1\n C C1 1 1.40186443 0.82327652 1.10369281 1\n C C2 1 0.65181042 0.57429069 0.85289144 1\n C C3 1 0.15182160 0.07418848 0.35297086 1\n C C4 1 0.23535651 0.65655678 0.93764326 1\n C C5 1 0.90187802 0.32334407 0.60368318 1\n C C6 1 0.73538631 1.15653737 0.43769868 1\n C C7 1 -0.01472677 0.90756919 0.18689748 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.12895000\n_cell_length_b 2.43337000\n_cell_length_c 10.31635000\n_cell_angle_alpha 90.84229000\n_cell_angle_beta 93.95471000\n_cell_angle_gamma 110.32425000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.41922842\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17056853 0.51355194 0.51965275 1\n C C1 1 1.03845096 0.44665037 0.38645424 1\n C C2 1 0.36831188 0.11138997 0.71977485 1\n C C3 1 0.83554510 0.84411129 0.18659575 1\n C C4 1 0.56543941 0.70888327 0.91997037 1\n C C5 1 0.96893628 0.91224929 0.31974816 1\n C C6 1 0.23750146 0.04599406 0.58646263 1\n C C7 1 0.63295557 0.24183523 -0.01324939 1\n C C8 1 0.76556824 0.30923992 0.11991955 1\n C C9 1 -0.56573582 0.64318485 0.78667710 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43728000\n_cell_length_b 4.19894000\n_cell_length_c 8.98417000\n_cell_angle_alpha 69.32023000\n_cell_angle_beta 89.98929000\n_cell_angle_gamma 89.99277000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.01986686\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34665118 -0.05686837 0.42165631 1\n C C1 1 0.84659001 0.03678634 0.49590957 1\n C C2 1 -0.15290392 0.39662533 0.48382592 1\n C C3 1 0.84605768 0.41965943 -0.01287687 1\n C C4 1 0.84609732 1.30083483 0.16368108 1\n C C5 1 0.84656642 0.83169947 0.66831025 1\n C C6 1 0.34573921 0.79395757 0.18360387 1\n C C7 1 0.84582203 0.64519923 0.17297861 1\n C C8 1 0.34611702 0.09467003 0.23374304 1\n C C9 1 0.34648919 0.72759658 0.74590270 1\n C C10 1 0.34603486 0.51026343 0.90713875 1\n C C11 1 0.34705559 0.56383713 0.46979166 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46332000\n_cell_length_b 6.75257000\n_cell_length_c 5.49296000\n_cell_angle_alpha 97.58614000\n_cell_angle_beta 90.48335000\n_cell_angle_gamma 87.89583000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.50710803\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73223822 0.30571857 0.50646833 1\n C C1 1 0.30240665 0.95513058 0.94996517 1\n C C2 1 0.50850195 0.32112376 0.99388934 1\n C C3 1 0.80354763 0.92883845 0.50677830 1\n C C4 1 0.34433836 0.69016261 0.25039720 1\n C C5 1 0.23119002 0.07095689 0.19861393 1\n C C6 1 1.21776773 0.42561548 0.59052046 1\n C C7 1 0.35248971 0.13229056 0.80952870 1\n C C8 1 0.86744116 0.65133368 0.08739270 1\n C C9 1 0.29778073 0.90976750 0.35581031 1\n C C10 1 0.29235689 0.63098034 0.53183630 1\n C C11 1 -0.00460000 0.44068894 0.94410181 1\n C C12 1 0.79423477 0.74403077 0.63736734 1\n C C13 1 0.81516382 0.82002238 -0.09115280 1\n C C14 1 0.68893093 0.20884457 0.23175490 1\n C C15 1 0.82645894 0.12576783 0.65368811 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44778000\n_cell_length_b 5.98190000\n_cell_length_c 4.81435000\n_cell_angle_alpha 83.27496000\n_cell_angle_beta 104.69799000\n_cell_angle_gamma 89.99264000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.68490015\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57883072 0.71644274 0.31273340 1\n C C1 1 0.73343877 0.59879047 0.62240262 1\n C C2 1 -0.00446075 0.38964998 0.14577277 1\n C C3 1 0.41407540 0.32559542 -0.01762887 1\n C C4 1 0.25863802 0.44528217 0.67055753 1\n C C5 1 0.15152006 0.27157184 0.45806037 1\n C C6 1 0.41196128 0.07456092 -0.02093783 1\n C C7 1 0.84880557 0.75200342 0.84759768 1\n C C8 1 0.56139056 0.96396813 0.28059024 1\n C C9 1 -0.16936569 0.99956938 0.81514657 1\n C C10 1 -0.00260149 0.64195724 1.14862342 1\n C C11 1 0.67661337 0.11736438 0.50607157 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45617000\n_cell_length_b 4.65957000\n_cell_length_c 9.72988000\n_cell_angle_alpha 86.48519000\n_cell_angle_beta 75.36886000\n_cell_angle_gamma 71.83263000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 102.35495295\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69185414 -0.10756093 0.73237410 1\n C C1 1 0.66451000 0.15549155 0.42556338 1\n C C2 1 0.48766253 0.96572928 0.89446020 1\n C C3 1 0.48970557 0.33294876 0.05526175 1\n C C4 1 -0.26047970 0.25515647 0.27850066 1\n C C5 1 0.50325370 0.59578950 0.30240310 1\n C C6 1 1.22581418 -0.00398499 0.65364300 1\n C C7 1 0.50910969 0.39216721 0.53327573 1\n C C8 1 0.63279500 0.87635914 0.49497421 1\n C C9 1 -0.20557221 0.54132176 0.75694612 1\n C C10 1 0.21786416 0.51372564 0.84904697 1\n C C11 1 1.05864061 0.79607335 0.94021474 1\n C C12 1 0.32571810 0.68363726 0.45417081 1\n C C13 1 0.39216730 0.14545058 0.19345141 1\n C C14 1 0.53246164 0.78810549 0.17400594 1\n C C15 1 0.15651133 0.68366481 0.08821695 1\n C C16 1 0.98223362 0.33995667 0.62800927 1\n C C17 1 0.16804044 0.27524434 0.95906506 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51239000\n_cell_length_b 4.18970000\n_cell_length_c 4.11375000\n_cell_angle_alpha 119.37876000\n_cell_angle_beta 90.08228000\n_cell_angle_gamma 107.57141000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.38498734\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48394038 0.42159154 0.20082891 1\n C C1 1 0.67665130 0.80940943 0.24435139 1\n C C2 1 0.29032034 0.03349585 0.85672569 1\n C C3 1 0.48329843 0.42139836 0.53101150 1\n C C4 1 0.29018738 1.03321608 0.48720919 1\n C C5 1 0.67668677 0.80948835 0.87551242 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42996000\n_cell_length_b 4.02009000\n_cell_length_c 6.17017000\n_cell_angle_alpha 70.52522000\n_cell_angle_beta 89.53484000\n_cell_angle_gamma 90.67859000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.81724720\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64893643 0.31847588 0.84378056 1\n C C1 1 0.14914090 0.07026474 0.59261760 1\n C C2 1 0.64898796 0.48164352 0.01175883 1\n C C3 1 0.64885460 0.81840064 0.34383608 1\n C C4 1 1.14897803 0.23302776 0.76074094 1\n C C5 1 0.64911229 -0.01819414 0.51167324 1\n C C6 1 0.14907950 0.57003660 0.09276929 1\n C C7 1 0.14889731 0.73282209 0.26086745 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55681000\n_cell_length_b 4.60040000\n_cell_length_c 4.57645000\n_cell_angle_alpha 76.07121000\n_cell_angle_beta 89.99892000\n_cell_angle_gamma 73.94407000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.08093863\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08038719 0.45301622 0.54589902 1\n C C1 1 0.50174741 0.61049749 0.37133941 1\n C C2 1 0.25363696 1.10526303 0.57176188 1\n C C3 1 0.32706782 0.95877852 0.34536831 1\n C C4 1 0.07819580 0.45759696 0.90748480 1\n C C5 1 0.50397814 0.60646198 1.00986627 1\n C C6 1 0.24380547 0.12516773 0.05415944 1\n C C7 1 0.33811731 0.93894586 -0.13693904 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44649000\n_cell_length_b 3.64737000\n_cell_length_c 8.99550000\n_cell_angle_alpha 115.23362000\n_cell_angle_beta 89.97723000\n_cell_angle_gamma 109.61904000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.42776324\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13645190 0.10591969 0.91355337 1\n C C1 1 0.32059863 0.46965462 0.76214559 1\n C C2 1 0.55285376 0.93876706 0.80263223 1\n C C3 1 0.76276562 0.33931054 0.27591851 1\n C C4 1 0.52809912 0.87283744 0.51831653 1\n C C5 1 1.17796913 0.17023548 0.19782657 1\n C C6 1 0.68236341 0.19080379 0.69595829 1\n C C7 1 0.94307762 0.70199977 0.44049876 1\n C C8 1 0.01508491 0.85466278 0.02001110 1\n C C9 1 0.37441351 0.57532464 -0.04625114 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29728000\n_cell_length_b 2.50425000\n_cell_length_c 6.55203000\n_cell_angle_alpha 78.60009000\n_cell_angle_beta 85.69961000\n_cell_angle_gamma 67.78889000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.09888725\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77837071 0.14689014 0.91320820 1\n C C1 1 0.41876133 0.98500922 0.60930247 1\n C C2 1 0.13663283 0.87725838 1.08547284 1\n C C3 1 0.77764881 0.71512102 0.78240769 1\n C C4 1 1.13554263 0.62423938 0.60920815 1\n C C5 1 0.77827534 -0.02163222 0.24342195 1\n C C6 1 0.77761475 0.88363388 0.45139175 1\n C C7 1 0.41962829 0.23820490 0.08553185 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45261000\n_cell_length_b 5.58737000\n_cell_length_c 6.33570000\n_cell_angle_alpha 78.00121000\n_cell_angle_beta 90.00718000\n_cell_angle_gamma 90.02206000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 84.92525155\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70649674 0.45034695 0.05186778 1\n C C1 1 0.70635108 0.93085671 0.77772192 1\n C C2 1 0.70630835 0.20790501 0.74326117 1\n C C3 1 1.20629724 0.38144685 0.40097068 1\n C C4 1 0.70655468 0.86394360 0.39775475 1\n C C5 1 0.20670747 0.04614182 0.06863921 1\n C C6 1 0.20643487 0.86037114 0.91866253 1\n C C7 1 0.20665966 0.92929675 0.29808416 1\n C C8 1 1.20629955 0.34133631 0.64227035 1\n C C9 1 0.20605199 0.59217096 0.70324574 1\n C C10 1 0.70620240 0.74608058 0.62757817 1\n C C11 1 0.20651876 0.58253386 0.95148272 1\n C C12 1 0.70637985 0.41241634 0.29310756 1\n C C13 1 0.70682176 0.19930991 0.99171847 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06643000\n_cell_length_b 4.61763000\n_cell_length_c 5.64776000\n_cell_angle_alpha 47.11186000\n_cell_angle_beta 46.92577000\n_cell_angle_gamma 62.68909000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.79766307\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91415054 0.51952916 -0.02214898 1\n C C1 1 0.24356356 0.18463554 -0.02107162 1\n C C2 1 0.57689689 0.51796887 0.31226172 1\n C C3 1 0.58081721 0.18619583 0.64451768 1\n C C4 1 -0.08976977 0.85130221 0.64559505 1\n C C5 1 0.24748387 0.85286249 0.31118435 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.07948000\n_cell_length_b 2.42853000\n_cell_length_c 6.78688000\n_cell_angle_alpha 69.54136000\n_cell_angle_beta 70.06117000\n_cell_angle_gamma 68.16949000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.82540238\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31580173 -0.03875155 0.95666930 1\n C C1 1 0.76254331 0.18132720 0.51261398 1\n C C2 1 0.09600851 0.84793160 0.17928811 1\n C C3 1 0.98248533 0.29457353 0.29000573 1\n C C4 1 0.42922690 0.51465228 0.84595041 1\n C C5 1 0.64902012 0.62796913 0.62333160 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46436000\n_cell_length_b 3.79190000\n_cell_length_c 7.30578000\n_cell_angle_alpha 94.15811000\n_cell_angle_beta 99.65094000\n_cell_angle_gamma 71.05936000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.64734068\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80589717 0.30209552 0.84028054 1\n C C1 1 0.80827457 0.65997912 0.20207896 1\n C C2 1 0.86439549 0.75175689 0.40151829 1\n C C3 1 0.64139175 0.43124701 0.63822570 1\n C C4 1 0.99160622 0.88659615 0.79475393 1\n C C5 1 0.11436286 0.36961980 0.52030252 1\n C C6 1 0.29954978 0.95463168 0.47609399 1\n C C7 1 0.29530733 0.59861152 0.11426626 1\n C C8 1 0.46432742 0.82488578 0.67743129 1\n C C9 1 0.24112591 0.50575904 -0.08556447 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.44942000\n_cell_length_b 3.92405000\n_cell_length_c 4.52623000\n_cell_angle_alpha 100.34052000\n_cell_angle_beta 103.16091000\n_cell_angle_gamma 123.77525000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.21384453\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19307233 0.90024908 0.82023355 1\n C C1 1 0.58731540 0.66674003 0.99787749 1\n C C2 1 0.61164449 1.06458691 0.04656701 1\n C C3 1 0.60441650 0.10525444 0.39186847 1\n C C4 1 0.96977286 0.42061348 1.02543107 1\n C C5 1 0.38817762 0.58481489 0.25151715 1\n C C6 1 0.32663792 0.22006194 0.38442450 1\n C C7 1 -0.02299851 0.37984581 0.68042155 1\n C C8 1 -0.00611075 0.81828554 0.07365301 1\n C C9 1 0.25479276 0.26513959 0.68760742 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44638000\n_cell_length_b 5.74441000\n_cell_length_c 8.07150000\n_cell_angle_alpha 132.26230000\n_cell_angle_beta 90.00907000\n_cell_angle_gamma 102.33556000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.36841665\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08936831 0.32765558 0.24835458 1\n C C1 1 -0.06642885 1.01632967 0.42095014 1\n C C2 1 0.54840283 0.24781810 0.10716429 1\n C C3 1 0.94473721 0.03481002 0.23948958 1\n C C4 1 0.78829120 0.72605100 0.60280262 1\n C C5 1 0.80879582 0.77079224 0.78660922 1\n C C6 1 0.34512358 0.83619601 1.08748174 1\n C C7 1 1.18187574 0.51095504 1.00910426 1\n C C8 1 0.27186584 0.69237109 0.48766487 1\n C C9 1 0.35856171 -0.13193253 0.91822987 1\n C C10 1 0.39133140 0.93501727 0.45817110 1\n C C11 1 0.62682860 0.40239911 0.01852152 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46821000\n_cell_length_b 3.37924000\n_cell_length_c 5.23017000\n_cell_angle_alpha 89.53715000\n_cell_angle_beta 89.99388000\n_cell_angle_gamma 111.46502000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.59594716\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86046541 0.33096024 0.73410050 1\n C C1 1 0.27136206 0.15354843 0.60949586 1\n C C2 1 0.08081748 0.77593928 0.81110165 1\n C C3 1 0.22930538 0.07708254 0.33492239 1\n C C4 1 0.66961036 0.95368682 0.93572538 1\n C C5 1 0.70604312 1.02924799 0.21061152 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48077000\n_cell_length_b 3.68768000\n_cell_length_c 4.83533000\n_cell_angle_alpha 57.46620000\n_cell_angle_beta 104.82038000\n_cell_angle_gamma 109.59548000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97471289\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10125296 0.36173015 0.31297645 1\n C C1 1 0.22129926 0.70636812 0.61070068 1\n C C2 1 0.44624935 0.94596666 0.81715564 1\n C C3 1 1.02455263 0.23352446 0.68638605 1\n C C4 1 0.70195636 0.88853182 0.38908776 1\n C C5 1 0.47692765 0.64908000 0.18234532 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45204000\n_cell_length_b 5.89930000\n_cell_length_c 4.59264000\n_cell_angle_alpha 101.58567000\n_cell_angle_beta 105.52088000\n_cell_angle_gamma 65.41749000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.90500032\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54148957 0.72796026 0.73264037 1\n C C1 1 0.77713851 0.44598647 0.64086843 1\n C C2 1 0.56787977 0.47961940 0.28973987 1\n C C3 1 0.57878791 0.07307235 0.49914608 1\n C C4 1 0.60505699 0.82123493 0.04553229 1\n C C5 1 0.87310900 0.81352921 0.56777644 1\n C C6 1 0.46633123 0.29924826 0.72619823 1\n C C7 1 0.69415529 0.24291497 1.06929502 1\n C C8 1 0.89238724 0.64599363 0.27227296 1\n C C9 1 0.39064638 0.09195032 0.15994712 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43178000\n_cell_length_b 4.20264000\n_cell_length_c 6.06242000\n_cell_angle_alpha 70.50621000\n_cell_angle_beta 79.72318000\n_cell_angle_gamma 90.14474000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.34000009\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78403314 0.69049470 0.32092122 1\n C C1 1 0.61269350 0.47825916 0.82002952 1\n C C2 1 0.61230454 0.14540331 0.82022929 1\n C C3 1 0.11230454 0.64540331 0.82022929 1\n C C4 1 0.11269350 -0.02174084 0.82002952 1\n C C5 1 0.28442209 0.52335054 0.32072145 1\n C C6 1 0.28403314 0.19049470 0.32092122 1\n C C7 1 0.78442209 1.02335054 0.32072145 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48186000\n_cell_length_b 3.84617000\n_cell_length_c 3.74207000\n_cell_angle_alpha 89.98418000\n_cell_angle_beta 90.00081000\n_cell_angle_gamma 90.00842000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.72050924\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87644838 0.23580224 0.28668494 1\n C C1 1 0.37643706 0.82617877 1.04891444 1\n C C2 1 0.37641346 0.53088502 0.78249864 1\n C C3 1 0.87642525 0.53078645 0.55313967 1\n C C4 1 0.37644516 0.23592829 0.04912699 1\n C C5 1 -0.12355982 0.82606304 0.28652892 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27024000\n_cell_length_b 3.63260000\n_cell_length_c 3.27083000\n_cell_angle_alpha 104.52145000\n_cell_angle_beta 80.85098000\n_cell_angle_gamma 104.52494000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22020387\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37137459 0.53517631 0.90241709 1\n C C1 1 1.01095410 0.53544449 0.26389489 1\n C C2 1 0.74259473 0.15357361 0.31838052 1\n C C3 1 0.42554028 0.15352249 0.63561008 1\n C C4 1 0.79733002 0.77205017 0.05011145 1\n C C5 1 0.15876799 0.77204943 0.68978187 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48429000\n_cell_length_b 4.08582000\n_cell_length_c 4.67880000\n_cell_angle_alpha 83.34273000\n_cell_angle_beta 105.33866000\n_cell_angle_gamma 90.03197000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.46853618\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09516358 0.33424610 0.65997980 1\n C C1 1 -0.06095921 0.51504292 0.34638943 1\n C C2 1 0.60882126 0.80939827 0.68879361 1\n C C3 1 0.66654001 0.45364119 0.80453287 1\n C C4 1 0.15082802 0.97881327 0.77453791 1\n C C5 1 0.32007980 0.04649310 0.11558555 1\n C C6 1 0.82139486 0.27301116 0.11802305 1\n C C7 1 0.44002597 0.74018607 0.34848197 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51511000\n_cell_length_b 4.23215000\n_cell_length_c 6.14267000\n_cell_angle_alpha 90.00114000\n_cell_angle_beta 114.42784000\n_cell_angle_gamma 89.99482000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.53152076\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69939537 0.90315343 0.81625212 1\n C C1 1 0.69937452 0.26831449 0.81620184 1\n C C2 1 0.79317574 0.40493284 0.41392389 1\n C C3 1 0.45193424 0.76819702 0.57097832 1\n C C4 1 0.79305292 0.76692999 0.41396170 1\n C C5 1 0.56868012 0.24687888 0.18561078 1\n C C6 1 0.45204332 0.40328037 0.57091122 1\n C C7 1 0.33325336 0.77097742 -0.05179229 1\n C C8 1 0.56864977 0.92545743 0.18567020 1\n C C9 1 0.33320444 0.40069574 -0.05185590 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20424000\n_cell_length_b 4.33756000\n_cell_length_c 4.20428000\n_cell_angle_alpha 47.80142000\n_cell_angle_beta 59.93973000\n_cell_angle_gamma 52.33141000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.42156164\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25648442 0.67695269 0.17808977 1\n C C1 1 0.58925018 0.67760182 0.84454721 1\n C C2 1 0.25598679 0.67747541 0.51125994 1\n C C3 1 0.92315526 0.67694454 0.84472787 1\n C C4 1 0.58977339 0.67710794 0.51132948 1\n C C5 1 0.92267525 0.67739550 0.17798823 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46174000\n_cell_length_b 5.55047000\n_cell_length_c 5.85774000\n_cell_angle_alpha 54.49771000\n_cell_angle_beta 77.90301000\n_cell_angle_gamma 77.09721000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.19124294\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75994736 0.07337534 0.52932902 1\n C C1 1 0.73547249 0.59205345 0.04062814 1\n C C2 1 -0.11386807 -0.00551295 0.34779549 1\n C C3 1 0.46047822 0.28870425 0.90465477 1\n C C4 1 1.02830902 0.31161519 0.74827901 1\n C C5 1 0.18271948 0.16993407 0.58699475 1\n C C6 1 0.45976174 0.98295701 0.21164971 1\n C C7 1 0.08562753 0.51178444 0.43329585 1\n C C8 1 0.59429711 0.66474309 0.26150809 1\n C C9 1 1.30447742 0.51951161 -0.02406013 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51684000\n_cell_length_b 2.48756000\n_cell_length_c 4.30496000\n_cell_angle_alpha 106.79638000\n_cell_angle_beta 114.07850000\n_cell_angle_gamma 90.00434000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61615467\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40697462 0.26430060 0.91102546 1\n C C1 1 0.74030796 0.59763393 0.57769213 1\n C C2 1 0.07364129 0.93096726 0.24435880 1\n C C3 1 0.82319354 0.43076117 0.24419707 1\n C C4 1 0.15652688 0.76409450 -0.08913626 1\n C C5 1 0.48986021 0.09742784 0.57753040 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47385000\n_cell_length_b 2.47355000\n_cell_length_c 8.59663000\n_cell_angle_alpha 98.27116000\n_cell_angle_beta 106.73928000\n_cell_angle_gamma 59.96110000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60919977\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99065382 0.17081009 0.66691958 1\n C C1 1 0.30486504 0.17051840 -0.01984605 1\n C C2 1 0.49048609 1.17188158 0.16712634 1\n C C3 1 0.40698291 -0.16128848 0.41675483 1\n C C4 1 0.72078674 0.83697388 0.72974105 1\n C C5 1 0.22000556 0.83852293 0.23001297 1\n C C6 1 0.80326240 0.17174131 0.47963953 1\n C C7 1 0.90875834 0.83723079 0.91729377 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.69906000\n_cell_length_b 4.28017000\n_cell_length_c 4.26982000\n_cell_angle_alpha 121.04668000\n_cell_angle_beta 104.24352000\n_cell_angle_gamma 96.84979000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.61450881\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84068296 0.22509611 0.37280372 1\n C C1 1 0.39358359 0.81439417 0.71735320 1\n C C2 1 0.42317874 0.02460938 0.09404284 1\n C C3 1 0.79219529 0.88565951 0.70769073 1\n C C4 1 -0.12178747 0.25399354 0.73957082 1\n C C5 1 0.93479909 0.58490435 0.07138923 1\n C C6 1 0.97594820 0.61444181 0.43909092 1\n C C7 1 0.02522271 0.95406592 0.10467274 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.75316000\n_cell_length_b 3.62202000\n_cell_length_c 4.80885000\n_cell_angle_alpha 67.89545000\n_cell_angle_beta 90.11385000\n_cell_angle_gamma 89.35796000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.42540132\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01820299 0.75187414 0.69110382 1\n C C1 1 1.01796541 0.31147068 0.19048142 1\n C C2 1 1.01759175 0.09726699 0.99962048 1\n C C3 1 0.01855888 0.37010546 0.69139414 1\n C C4 1 1.01743936 0.71594247 -0.00054381 1\n C C5 1 0.01786191 1.15628306 0.50034285 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58259000\n_cell_length_b 4.24449000\n_cell_length_c 4.61515000\n_cell_angle_alpha 81.88612000\n_cell_angle_beta 79.50489000\n_cell_angle_gamma 75.89339000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.99490036\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84468627 0.92174693 0.34307226 1\n C C1 1 0.66015206 0.74700390 0.59596283 1\n C C2 1 1.05260156 0.76658552 0.06649832 1\n C C3 1 0.44699138 0.24358406 0.85297364 1\n C C4 1 0.75411333 0.27933110 0.31315928 1\n C C5 1 0.23880058 0.39909348 0.12898457 1\n C C6 1 0.53898325 0.88586091 0.88290523 1\n C C7 1 0.63343106 0.41803889 0.60032457 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64140000\n_cell_length_b 3.63965000\n_cell_length_c 4.76838000\n_cell_angle_alpha 97.38214000\n_cell_angle_beta 111.76454000\n_cell_angle_gamma 48.33928000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.21008132\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35649184 0.15144069 0.54398553 1\n C C1 1 0.65280815 -0.11447289 0.85206326 1\n C C2 1 0.35381581 0.53357986 0.54481128 1\n C C3 1 0.84946921 0.09558592 1.04483597 1\n C C4 1 0.65484992 0.50373042 -0.14863532 1\n C C5 1 0.15961857 0.94142410 0.35134060 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48750000\n_cell_length_b 4.19214000\n_cell_length_c 8.88918000\n_cell_angle_alpha 75.96875000\n_cell_angle_beta 81.97635000\n_cell_angle_gamma 90.00243000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 88.99442180\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.28518010 0.32206710 0.01201569 1\n C C1 1 -0.10052850 0.59849527 0.77099180 1\n C C2 1 0.48378542 0.33155222 0.59776579 1\n C C3 1 0.13248593 0.84978665 0.30658564 1\n C C4 1 0.15608203 0.52850432 0.25836512 1\n C C5 1 0.63029013 0.32462181 0.30974547 1\n C C6 1 0.87551649 -0.08147657 0.82020149 1\n C C7 1 0.40024852 0.12233621 0.76865395 1\n C C8 1 0.36717284 0.41200062 0.83913693 1\n C C9 1 0.54423062 0.11522925 0.48031421 1\n C C10 1 1.04478821 0.89120636 0.47941942 1\n C C11 1 0.25315412 0.62524695 0.07243347 1\n C C12 1 0.66759934 1.03595291 0.23845949 1\n C C13 1 0.98344739 0.55654207 0.59834154 1\n C C14 1 0.78603758 0.82076237 0.00701228 1\n C C15 1 0.75872521 0.12535926 0.06585571 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44931000\n_cell_length_b 5.22347000\n_cell_length_c 6.23295000\n_cell_angle_alpha 62.03940000\n_cell_angle_beta 66.84092000\n_cell_angle_gamma 89.98978000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.07111665\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75772704 0.71791838 1.03325274 1\n C C1 1 0.18840102 0.10258395 0.10263902 1\n C C2 1 0.73055298 0.53432928 0.55589665 1\n C C3 1 0.61195948 1.00874275 0.67717538 1\n C C4 1 0.29862490 -0.09554248 0.99176269 1\n C C5 1 0.63345330 0.19163076 0.15538406 1\n C C6 1 0.84547881 0.33272007 0.44374424 1\n C C7 1 1.06885839 0.82167061 0.71970128 1\n C C8 1 0.17966811 0.62284701 0.60896443 1\n C C9 1 0.52314166 0.39382377 0.26657021 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46949000\n_cell_length_b 7.23583000\n_cell_length_c 8.72376000\n_cell_angle_alpha 66.16242000\n_cell_angle_beta 81.92899000\n_cell_angle_gamma 80.23924000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 140.07403868\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03861019 0.79194193 1.03933426 1\n C C1 1 0.37694561 0.06115075 0.10174194 1\n C C2 1 0.79467496 0.84083904 0.48104937 1\n C C3 1 0.52794433 0.30135113 0.56569931 1\n C C4 1 -0.04752649 0.18799569 0.82981186 1\n C C5 1 0.89924765 0.78417238 0.32858009 1\n C C6 1 0.61906429 0.29310879 0.38878043 1\n C C7 1 0.85474092 0.60440709 0.60891594 1\n C C8 1 0.42351219 0.52693910 0.54741364 1\n C C9 1 0.63002656 0.87713474 0.76918635 1\n C C10 1 0.26493198 0.21823618 0.17418463 1\n C C11 1 0.45078522 0.65138234 0.36043079 1\n C C12 1 0.43098669 0.14481058 0.91443651 1\n C C13 1 0.09743735 0.56466696 0.15157421 1\n C C14 1 0.91910214 0.92601109 0.15039581 1\n C C15 1 0.79225095 0.54638874 0.79417886 1\n C C16 1 0.21360475 0.42323359 0.06380875 1\n C C17 1 0.27147375 0.49882454 0.88038373 1\n C C18 1 0.13568269 0.96205366 0.67421977 1\n C C19 1 1.18949170 0.18093114 0.36036673 1\n C C20 1 0.56314243 0.84370832 0.93581547 1\n C C21 1 0.22882233 0.95671170 0.49540745 1\n C C22 1 0.56520260 0.51659028 0.26351939 1\n C C23 1 1.03274890 0.19717313 0.65934299 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43065000\n_cell_length_b 3.06982000\n_cell_length_c 8.04092000\n_cell_angle_alpha 86.02590000\n_cell_angle_beta 85.35041000\n_cell_angle_gamma 77.21687000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.23744588\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70131568 -0.08743078 0.74461308 1\n C C1 1 0.19829719 1.17486549 0.49615707 1\n C C2 1 0.70061409 0.58027078 0.07869662 1\n C C3 1 0.20201214 0.66042781 -0.00570475 1\n C C4 1 0.20102832 -0.17196581 0.82833509 1\n C C5 1 0.69840453 0.08929426 0.57978670 1\n C C6 1 1.19655626 0.34586249 0.33053688 1\n C C7 1 0.69804540 0.42585525 0.24616351 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50895000\n_cell_length_b 4.28008000\n_cell_length_c 7.00204000\n_cell_angle_alpha 107.81497000\n_cell_angle_beta 100.35574000\n_cell_angle_gamma 90.01118000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.29750790\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37138056 0.81151068 0.21920559 1\n C C1 1 0.71393611 0.65465933 0.90793134 1\n C C2 1 0.59669327 0.53985897 0.67239984 1\n C C3 1 0.04968972 0.35781756 0.58007004 1\n C C4 1 0.04922921 -0.01006845 0.57962030 1\n C C5 1 0.93500616 0.87562086 0.34583268 1\n C C6 1 -0.06399637 0.24030303 0.34603736 1\n C C7 1 0.59620442 0.90034744 0.67197348 1\n C C8 1 0.26520932 0.56953340 0.00829937 1\n C C9 1 0.37223730 0.17860747 0.21931014 1\n C C10 1 0.71396165 0.02278602 -0.09228190 1\n C C11 1 0.26551734 0.20879871 0.00809846 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47384000\n_cell_length_b 4.11821000\n_cell_length_c 4.27961000\n_cell_angle_alpha 90.00563000\n_cell_angle_beta 90.00519000\n_cell_angle_gamma 90.01217000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.59977783\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71245074 0.44035399 0.32907741 1\n C C1 1 0.21236923 0.44035770 0.82908109 1\n C C2 1 0.71242204 0.56672315 -0.00428645 1\n C C3 1 0.21248955 0.06670672 0.82910186 1\n C C4 1 1.21240049 0.94035475 0.49571809 1\n C C5 1 0.71237684 0.06670877 0.32909998 1\n C C6 1 0.71248252 0.94036128 -0.00427937 1\n C C7 1 0.21253407 0.56671314 0.49571400 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48116000\n_cell_length_b 4.21682000\n_cell_length_c 3.68723000\n_cell_angle_alpha 75.15952000\n_cell_angle_beta 109.61024000\n_cell_angle_gamma 90.06598000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97549041\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11240398 0.48412139 0.31245172 1\n C C1 1 0.33314863 0.27766855 0.75746332 1\n C C2 1 0.91162830 0.40824553 0.91490191 1\n C C3 1 0.79094431 0.78140224 0.67134282 1\n C C4 1 0.59317088 0.70638657 0.27310107 1\n C C5 1 0.36904450 0.91253882 0.82758066 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29522000\n_cell_length_b 5.61850000\n_cell_length_c 5.58870000\n_cell_angle_alpha 86.36457000\n_cell_angle_beta 108.19685000\n_cell_angle_gamma 77.87220000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 95.17014365\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55939738 0.27819762 0.81077274 1\n C C1 1 0.38784414 0.54269431 0.08424862 1\n C C2 1 0.13867839 0.58433057 0.26678184 1\n C C3 1 0.25137385 0.86805938 0.68356296 1\n C C4 1 0.97832904 0.22855231 0.03417844 1\n C C5 1 0.76738671 0.43811626 0.65771060 1\n C C6 1 1.13645048 -0.03651296 0.11779828 1\n C C7 1 0.38684661 0.79651218 -0.03321741 1\n C C8 1 0.81776447 0.81984484 0.15872508 1\n C C9 1 0.86711048 0.38930067 0.23135789 1\n C C10 1 0.56888330 0.87583622 0.34158970 1\n C C11 1 0.41445459 0.10000072 0.64119507 1\n C C12 1 0.92910306 0.25188932 0.48140662 1\n C C13 1 0.45172302 0.67459614 0.50508027 1\n C C14 1 0.18896697 0.39063787 0.89544482 1\n C C15 1 0.75859141 1.02630543 0.52410948 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48253000\n_cell_length_b 3.46504000\n_cell_length_c 7.65213000\n_cell_angle_alpha 96.69156000\n_cell_angle_beta 71.08409000\n_cell_angle_gamma 111.02388000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.12410914\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51758567 -0.01192284 0.62444454 1\n C C1 1 -0.04189158 0.35687137 0.86741202 1\n C C2 1 0.10334825 0.72586752 0.40741506 1\n C C3 1 0.66079213 0.35640270 0.16367412 1\n C C4 1 0.57717924 0.35726265 0.74841124 1\n C C5 1 0.73359093 0.98768100 0.40758197 1\n C C6 1 0.62833591 0.99493711 0.01528567 1\n C C7 1 0.98901461 0.71694321 1.01545193 1\n C C8 1 -0.11424244 0.72613067 0.62453724 1\n C C9 1 0.04202937 0.35672742 0.28315821 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34746000\n_cell_length_b 4.28565000\n_cell_length_c 5.10403000\n_cell_angle_alpha 102.56971000\n_cell_angle_beta 116.96176000\n_cell_angle_gamma 105.46586000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.81049305\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00993949 0.88643974 0.15187891 1\n C C1 1 0.19712762 0.33389467 0.91591653 1\n C C2 1 0.29597473 0.19827172 0.14587031 1\n C C3 1 0.50265333 0.64572597 0.90978327 1\n C C4 1 0.74457798 0.17341599 0.62475378 1\n C C5 1 0.19869999 0.64865402 0.59851128 1\n C C6 1 0.29434512 0.88378733 0.46361406 1\n C C7 1 0.74786082 0.35954406 0.43756996 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42586000\n_cell_length_b 5.92864000\n_cell_length_c 4.21106000\n_cell_angle_alpha 134.74016000\n_cell_angle_beta 89.97460000\n_cell_angle_gamma 90.03210000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.01875363\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68990125 0.42130926 0.86856636 1\n C C1 1 0.18952429 0.85793301 0.86858572 1\n C C2 1 0.68960537 0.01355680 0.05276623 1\n C C3 1 0.18989834 0.45038115 0.05289142 1\n C C4 1 0.68958240 0.36104738 0.46071615 1\n C C5 1 0.18975366 0.51042110 0.46055313 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48980000\n_cell_length_b 3.93955000\n_cell_length_c 6.68001000\n_cell_angle_alpha 61.91963000\n_cell_angle_beta 100.71060000\n_cell_angle_gamma 90.00706000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.51316925\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67181704 0.19342708 0.80558581 1\n C C1 1 0.40861969 0.41553241 0.28421700 1\n C C2 1 0.90329616 0.65985717 0.27417791 1\n C C3 1 0.64479167 0.87919573 0.75318731 1\n C C4 1 0.80217461 0.08519967 0.07284994 1\n C C5 1 0.12631891 0.42862878 0.71436169 1\n C C6 1 0.51357015 -0.01143361 0.48630367 1\n C C7 1 0.30768398 0.31274794 1.08429977 1\n C C8 1 0.00736494 0.76185703 0.47438074 1\n C C9 1 0.19092356 0.64424431 0.84433527 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48574000\n_cell_length_b 5.53093000\n_cell_length_c 4.11170000\n_cell_angle_alpha 75.16588000\n_cell_angle_beta 78.01123000\n_cell_angle_gamma 72.27384000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.26234319\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78140825 0.60212965 0.37121865 1\n C C1 1 -0.06335543 0.97897750 0.21843877 1\n C C2 1 0.53249421 0.73850011 0.61432375 1\n C C3 1 0.62655719 -0.01842583 0.52172694 1\n C C4 1 0.53799612 0.22096820 0.61634905 1\n C C5 1 0.78304915 0.35811074 0.36956194 1\n C C6 1 0.28269711 0.61217009 0.87102947 1\n C C7 1 0.28149892 0.34819429 0.86958111 1\n C C8 1 1.03034208 0.22212295 0.12569656 1\n C C9 1 0.02540121 0.73941580 0.12401546 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46670000\n_cell_length_b 3.38402000\n_cell_length_c 5.24757000\n_cell_angle_alpha 89.50405000\n_cell_angle_beta 89.99356000\n_cell_angle_gamma 111.38653000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.78535674\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02610702 1.06724985 0.11875789 1\n C C1 1 0.80030397 0.61979510 0.19370477 1\n C C2 1 0.61547629 0.24634755 0.99331361 1\n C C3 1 0.20992593 0.43928572 0.31880334 1\n C C4 1 0.17117280 0.36247703 0.59319731 1\n C C5 1 0.64846260 0.31728416 0.71845058 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48761000\n_cell_length_b 6.83733000\n_cell_length_c 7.21119000\n_cell_angle_alpha 65.88025000\n_cell_angle_beta 90.48824000\n_cell_angle_gamma 104.20550000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 107.93573362\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35846572 0.85976738 0.83038813 1\n C C1 1 -0.02668237 0.27069829 0.35852733 1\n C C2 1 0.96647929 0.20663074 0.59432845 1\n C C3 1 0.56929923 0.42161017 0.27777017 1\n C C4 1 0.62696718 0.51231375 1.04688442 1\n C C5 1 0.43045548 0.18715691 0.89360459 1\n C C6 1 0.96567407 0.81617928 0.15412754 1\n C C7 1 1.05505410 0.40684310 0.00854407 1\n C C8 1 0.74458825 0.62429548 0.31525138 1\n C C9 1 0.02666787 0.32934417 0.84563231 1\n C C10 1 0.70210865 0.56738661 0.53004374 1\n C C11 1 -0.12444078 0.15832550 0.19301891 1\n C C12 1 0.80703063 0.74054170 0.60463774 1\n C C13 1 0.33700673 0.78493380 0.66784956 1\n C C14 1 0.11163609 0.42947381 0.61742336 1\n C C15 1 0.82082833 0.77015589 0.96419845 1\n C C16 1 0.41302942 0.10171479 0.72542893 1\n C C17 1 0.28640412 0.05267924 0.13437289 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46459000\n_cell_length_b 3.39183000\n_cell_length_c 5.27611000\n_cell_angle_alpha 87.32703000\n_cell_angle_beta 90.00393000\n_cell_angle_gamma 68.67100000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.03300355\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66225496 0.47172669 0.22543159 1\n C C1 1 0.69832891 0.40262478 0.50061051 1\n C C2 1 0.21603373 0.36595642 0.62667684 1\n C C3 1 0.25195496 0.29562132 0.90224728 1\n C C4 1 0.06916744 0.65700792 0.09918248 1\n C C5 1 -0.15444300 1.10888178 0.02712410 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34921000\n_cell_length_b 5.51890000\n_cell_length_c 3.85291000\n_cell_angle_alpha 58.60839000\n_cell_angle_beta 79.65962000\n_cell_angle_gamma 71.79746000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.73822322\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00045060 0.04430257 0.57918538 1\n C C1 1 0.62494621 0.21584322 0.29660953 1\n C C2 1 0.09666914 0.18865715 0.77033215 1\n C C3 1 0.82500834 0.79045071 -0.06428859 1\n C C4 1 0.76524913 0.67924500 0.66139187 1\n C C5 1 0.10303615 0.68153100 0.29897169 1\n C C6 1 0.68623823 0.37695757 -0.16465922 1\n C C7 1 0.37979741 0.38098941 0.52535136 1\n C C8 1 0.36316984 0.91065818 0.09615594 1\n C C9 1 0.42833324 0.95702488 0.41272840 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51593000\n_cell_length_b 2.48810000\n_cell_length_c 4.30536000\n_cell_angle_alpha 106.80222000\n_cell_angle_beta 114.07995000\n_cell_angle_gamma 89.99940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61662975\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17842036 1.01804881 0.47990964 1\n C C1 1 0.76135361 0.85168450 0.14640319 1\n C C2 1 0.09467681 0.18482950 0.81307366 1\n C C3 1 0.51179685 0.35174558 0.14659526 1\n C C4 1 0.84509716 0.68490381 0.81323917 1\n C C5 1 0.42797712 0.51798773 0.47971757 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.24505000\n_cell_length_b 4.24122000\n_cell_length_c 5.45382000\n_cell_angle_alpha 117.49962000\n_cell_angle_beta 85.33151000\n_cell_angle_gamma 120.58729000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.44622063\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55240523 0.16708454 0.68962530 1\n C C1 1 0.73567449 0.77644350 0.79357035 1\n C C2 1 1.01327763 1.02461697 0.31498652 1\n C C3 1 0.30838578 0.93439339 0.20862573 1\n C C4 1 -0.22557676 0.18155709 -0.08664059 1\n C C5 1 0.67469125 0.30062880 0.20873476 1\n C C6 1 0.01880252 0.41663869 0.40009896 1\n C C7 1 -0.07726938 0.53730043 0.68963538 1\n C C8 1 0.38363905 0.78142832 0.40013348 1\n C C9 1 0.41739535 0.45822955 0.79348197 1\n C C10 1 0.13237595 0.53971563 0.91344264 1\n C C11 1 0.69071249 0.70212379 0.31516399 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48382000\n_cell_length_b 4.81006000\n_cell_length_c 11.87663000\n_cell_angle_alpha 96.20673000\n_cell_angle_beta 77.91569000\n_cell_angle_gamma 58.87800000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 114.74467363\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.13192402 0.16285568 0.84640261 1\n C C1 1 0.63927280 0.57977091 0.65899799 1\n C C2 1 1.08677502 -0.10564791 0.39669159 1\n C C3 1 0.53813237 0.12917112 0.21033055 1\n C C4 1 1.18824611 0.34962655 0.33930641 1\n C C5 1 -0.25703993 0.61684948 1.01583417 1\n C C6 1 0.91114915 0.75510479 0.21041492 1\n C C7 1 0.64711101 0.58245731 0.14665762 1\n C C8 1 0.81577693 0.72055251 0.34131272 1\n C C9 1 1.02048007 0.20927897 0.14793348 1\n C C10 1 0.55046319 0.04137264 0.78548969 1\n C C11 1 0.73477303 0.25116582 0.39107011 1\n C C12 1 0.69927742 0.16878044 0.51152340 1\n C C13 1 0.36805628 0.98886606 1.01954486 1\n C C14 1 -0.06658733 0.74213697 0.70256323 1\n C C15 1 0.47334348 0.44273068 0.96006498 1\n C C16 1 -0.18058346 1.08850821 0.96822299 1\n C C17 1 1.02091678 0.28485088 0.57384659 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48061000\n_cell_length_b 3.68870000\n_cell_length_c 4.89334000\n_cell_angle_alpha 112.96196000\n_cell_angle_beta 120.41961000\n_cell_angle_gamma 70.33814000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00350069\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16339390 0.90004313 0.79651684 1\n C C1 1 0.85005517 0.38310450 0.22504661 1\n C C2 1 -0.11105173 0.29774868 0.72102948 1\n C C3 1 0.86594066 0.93781653 1.01854966 1\n C C4 1 0.18024464 0.45471588 0.59018054 1\n C C5 1 0.14021306 0.53980159 0.09370967 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47819000\n_cell_length_b 4.28652000\n_cell_length_c 6.31219000\n_cell_angle_alpha 76.92209000\n_cell_angle_beta 89.99452000\n_cell_angle_gamma 89.99824000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.31406087\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95126181 1.06341736 1.01978161 1\n C C1 1 0.95099677 0.28679594 0.35094950 1\n C C2 1 0.45121299 0.86866536 0.10364079 1\n C C3 1 0.95045434 0.50953649 0.68465385 1\n C C4 1 0.45099016 0.09290158 0.43396280 1\n C C5 1 0.45092520 0.56340887 0.01973680 1\n C C6 1 0.95075829 0.14787553 0.76876887 1\n C C7 1 -0.04912639 0.59289710 0.43387906 1\n C C8 1 0.45045012 0.64787428 0.76869560 1\n C C9 1 0.45071540 1.00952994 0.68475242 1\n C C10 1 0.45096070 0.78682099 0.35095331 1\n C C11 1 -0.04904888 0.36865047 0.10361889 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40038000\n_cell_length_b 3.39818000\n_cell_length_c 4.11508000\n_cell_angle_alpha 78.53988000\n_cell_angle_beta 78.50448000\n_cell_angle_gamma 93.87742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.38187735\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63498904 0.92163096 0.21283230 1\n C C1 1 -0.13471176 0.15277183 0.87430955 1\n C C2 1 0.22306941 0.51122778 0.87061615 1\n C C3 1 1.08626045 -0.10650018 0.66069800 1\n C C4 1 0.60514919 0.37326900 0.66117188 1\n C C5 1 0.89567722 0.70135702 0.42566102 1\n C C6 1 0.41456445 0.18328156 0.42524159 1\n C C7 1 0.27839511 0.56608973 0.21569602 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52395000\n_cell_length_b 4.44929000\n_cell_length_c 4.36831000\n_cell_angle_alpha 73.87324000\n_cell_angle_beta 94.16200000\n_cell_angle_gamma 99.16568000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.50237866\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74110439 0.41683199 0.80969184 1\n C C1 1 0.50214115 0.92188640 0.60667205 1\n C C2 1 0.22331694 0.94096605 0.08174879 1\n C C3 1 0.27831002 0.57771803 0.63001045 1\n C C4 1 0.70277984 0.05120793 0.87494068 1\n C C5 1 0.19915519 0.59175037 0.26216271 1\n C C6 1 0.66122493 0.43605268 0.16916830 1\n C C7 1 0.44855393 0.10533346 0.31888638 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42665000\n_cell_length_b 6.32945000\n_cell_length_c 6.02012000\n_cell_angle_alpha 95.31906000\n_cell_angle_beta 101.96470000\n_cell_angle_gamma 97.13798000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 89.08448659\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54680206 0.88545550 -0.05141401 1\n C C1 1 0.09920253 0.03852987 0.95552027 1\n C C2 1 0.95317833 0.38520728 0.74994119 1\n C C3 1 0.63018872 0.82570325 0.18699611 1\n C C4 1 0.46884925 0.49866626 0.74534781 1\n C C5 1 0.44354883 0.72947984 0.74160252 1\n C C6 1 0.97856228 0.15400500 0.75245164 1\n C C7 1 1.28643422 0.15174010 0.20989619 1\n C C8 1 0.79153405 0.05553129 0.30645529 1\n C C9 1 0.43468865 0.38683913 0.23995721 1\n C C10 1 0.87524327 -0.00261569 0.54535305 1\n C C11 1 0.32331790 0.84459315 0.53831418 1\n C C12 1 0.99073141 0.49445940 0.25383148 1\n C C13 1 0.13599580 0.72979492 0.28390928 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51234000\n_cell_length_b 4.18961000\n_cell_length_c 4.11408000\n_cell_angle_alpha 60.61183000\n_cell_angle_beta 89.90010000\n_cell_angle_gamma 107.56528000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.38183290\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50649320 0.41631023 0.69497654 1\n C C1 1 0.31264877 0.02792771 0.40865964 1\n C C2 1 0.50570797 0.41597990 0.36506685 1\n C C3 1 0.69906973 0.80420587 0.65152002 1\n C C4 1 0.69911369 0.80410299 0.02054057 1\n C C5 1 0.31271813 0.02824541 0.03921359 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.00900000\n_cell_length_b 4.07681000\n_cell_length_c 4.68210000\n_cell_angle_alpha 56.88656000\n_cell_angle_beta 61.76203000\n_cell_angle_gamma 70.96633000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.20397010\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62975757 0.55473330 0.87985410 1\n C C1 1 0.96286590 0.88767017 0.21327127 1\n C C2 1 0.63226787 0.88990829 0.54615888 1\n C C3 1 0.29925950 0.55703991 0.21270641 1\n C C4 1 -0.03406628 0.22356923 -0.12059747 1\n C C5 1 0.29654983 0.22138240 0.54646721 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45947000\n_cell_length_b 3.39731000\n_cell_length_c 5.98120000\n_cell_angle_alpha 108.54068000\n_cell_angle_beta 101.89083000\n_cell_angle_gamma 111.17159000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17129809\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16915032 0.17852366 0.06685168 1\n C C1 1 0.53579335 0.71554465 0.26062235 1\n C C2 1 0.77950269 0.92777178 0.53672415 1\n C C3 1 0.63938345 0.24722694 0.93941443 1\n C C4 1 0.39371032 1.03136554 0.66335863 1\n C C5 1 0.00772647 0.78639242 0.13369505 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.21304000\n_cell_length_b 2.46730000\n_cell_length_c 8.00235000\n_cell_angle_alpha 107.92224000\n_cell_angle_beta 67.03493000\n_cell_angle_gamma 112.48750000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.02465476\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68206794 0.10422790 0.75738700 1\n C C1 1 0.78172970 0.54509698 0.64876670 1\n C C2 1 0.33824898 0.85745817 0.18231037 1\n C C3 1 0.99542731 0.46748165 0.46484067 1\n C C4 1 0.43966695 0.29933967 0.07380069 1\n C C5 1 0.11584694 0.92893633 0.36550535 1\n C C6 1 0.92161327 0.38304632 -0.08345463 1\n C C7 1 0.20024460 0.02006179 -0.08583325 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63185000\n_cell_length_b 4.82058000\n_cell_length_c 3.87139000\n_cell_angle_alpha 125.69672000\n_cell_angle_beta 98.45631000\n_cell_angle_gamma 111.98463000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.62713429\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04155474 0.55397146 1.02569125 1\n C C1 1 0.82663031 0.74470626 1.02411153 1\n C C2 1 0.76886906 0.24620279 1.02641505 1\n C C3 1 0.42278564 0.55479300 0.02657005 1\n C C4 1 -0.01620652 0.05546798 0.02799477 1\n C C5 1 0.38763816 0.24538124 0.02553625 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43166000\n_cell_length_b 6.40883000\n_cell_length_c 3.05261000\n_cell_angle_alpha 82.13547000\n_cell_angle_beta 105.52735000\n_cell_angle_gamma 79.28490000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.15316585\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.21488917 0.24380351 0.57916439 1\n C C1 1 0.10537970 0.46564338 0.57924241 1\n C C2 1 0.77103540 0.13298309 0.57748593 1\n C C3 1 0.88018256 0.91113132 0.57716318 1\n C C4 1 0.43767068 0.79929951 0.57784691 1\n C C5 1 0.54794199 0.57735259 0.57876658 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39986000\n_cell_length_b 4.17357000\n_cell_length_c 4.44278000\n_cell_angle_alpha 75.09569000\n_cell_angle_beta 68.60224000\n_cell_angle_gamma 75.50986000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.85771424\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97080411 0.13377359 0.56936118 1\n C C1 1 0.10318648 0.66460014 0.14316676 1\n C C2 1 0.57164316 0.40022056 0.51167670 1\n C C3 1 0.32760683 0.96320292 -0.01769708 1\n C C4 1 0.90190490 0.53221792 -0.05476788 1\n C C5 1 0.68626713 0.74805425 0.43720355 1\n C C6 1 0.50307552 0.39779536 0.20065750 1\n C C7 1 0.74645383 0.83504697 0.73023248 1\n C C8 1 0.38812869 0.04998237 0.27535056 1\n C C9 1 1.17298015 0.26616181 0.76702114 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42958000\n_cell_length_b 3.18776000\n_cell_length_c 7.27539000\n_cell_angle_alpha 65.26187000\n_cell_angle_beta 60.00561000\n_cell_angle_gamma 64.71173000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.58674616\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.28163136 0.50915603 0.17161767 1\n C C1 1 -0.05069488 0.50694260 0.72734544 1\n C C2 1 0.28166253 0.50904621 0.83829855 1\n C C3 1 0.28166058 0.50906509 0.50496228 1\n C C4 1 0.94927395 0.50705242 1.06066457 1\n C C5 1 0.94927590 0.50703354 0.39400084 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53314000\n_cell_length_b 2.47906000\n_cell_length_c 6.23906000\n_cell_angle_alpha 78.51585000\n_cell_angle_beta 112.81854000\n_cell_angle_gamma 89.91831000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.25638876\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02166743 0.53302032 0.56198738 1\n C C1 1 0.81754009 -0.12047462 0.86594664 1\n C C2 1 0.61766207 0.21947190 0.18178521 1\n C C3 1 0.16532046 0.96169142 0.70502825 1\n C C4 1 0.76040380 0.64900314 0.32408249 1\n C C5 1 -0.03459395 0.30148314 1.02056833 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.74134000\n_cell_length_b 4.41410000\n_cell_length_c 4.90199000\n_cell_angle_alpha 100.52246000\n_cell_angle_beta 113.68737000\n_cell_angle_gamma 107.07959000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.55507351\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30595366 0.82134171 0.72311232 1\n C C1 1 0.89136731 0.31228028 0.24412385 1\n C C2 1 0.20412924 0.19720090 0.19656591 1\n C C3 1 1.23306030 0.31184327 0.93235526 1\n C C4 1 0.19408521 0.64265586 0.92072790 1\n C C5 1 0.62654434 0.19747949 0.39526995 1\n C C6 1 0.24509807 0.86697526 0.20864849 1\n C C7 1 0.13254013 0.68788758 0.40577533 1\n C C8 1 0.54604413 0.19701944 0.88465451 1\n C C9 1 0.81118530 0.31236321 0.73386627 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25496000\n_cell_length_b 3.58232000\n_cell_length_c 4.90665000\n_cell_angle_alpha 71.00637000\n_cell_angle_beta 110.43094000\n_cell_angle_gamma 103.65391000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.20859482\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70876624 0.20292535 1.01980786 1\n C C1 1 0.30863434 0.62694482 0.30301593 1\n C C2 1 0.38435337 0.55007029 0.85363574 1\n C C3 1 -0.01481932 0.28717436 0.31085261 1\n C C4 1 0.58982062 0.70635355 0.59552280 1\n C C5 1 0.85108394 0.10269932 0.56467432 1\n C C6 1 0.91317298 0.36004921 0.76127352 1\n C C7 1 0.44603562 0.80757130 1.05010752 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49861000\n_cell_length_b 4.94057000\n_cell_length_c 5.44489000\n_cell_angle_alpha 92.65926000\n_cell_angle_beta 117.29274000\n_cell_angle_gamma 120.41331000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.99052123\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06800092 0.20421031 0.08565514 1\n C C1 1 -0.10192960 0.40889604 0.21087638 1\n C C2 1 0.57452524 0.03982608 0.75723871 1\n C C3 1 1.28237188 0.45333055 0.55073635 1\n C C4 1 0.74396150 0.83510648 0.63179891 1\n C C5 1 0.01923496 0.97512806 0.26579054 1\n C C6 1 0.62448258 0.26912034 0.57717626 1\n C C7 1 0.36061873 0.79054315 0.29175732 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46049000\n_cell_length_b 5.50483000\n_cell_length_c 6.52850000\n_cell_angle_alpha 107.36104000\n_cell_angle_beta 100.86488000\n_cell_angle_gamma 89.99886000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.73529342\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21377339 0.64788171 0.00794384 1\n C C1 1 0.44839901 0.18041336 0.47561278 1\n C C2 1 0.02390459 0.79118957 0.62675093 1\n C C3 1 0.33647040 0.65460601 0.25754996 1\n C C4 1 0.54868050 0.39267881 0.67775525 1\n C C5 1 0.68224857 0.76619853 0.94300794 1\n C C6 1 0.91349563 0.05838835 0.40786781 1\n C C7 1 -0.10398633 0.78367381 0.37701666 1\n C C8 1 0.55533430 0.67212041 0.69152211 1\n C C9 1 1.11385551 0.35998262 0.80634071 1\n C C10 1 1.12433999 0.07737023 0.82678947 1\n C C11 1 0.31909888 0.37977056 0.22635331 1\n C C12 1 0.78682260 0.25645238 0.15943036 1\n C C13 1 0.68903025 1.04532773 0.95565537 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47076000\n_cell_length_b 2.48610000\n_cell_length_c 9.74247000\n_cell_angle_alpha 82.65061000\n_cell_angle_beta 97.29583000\n_cell_angle_gamma 89.99647000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.86340793\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14190433 0.81111255 0.37142178 1\n C C1 1 0.06775703 0.88412071 0.22422861 1\n C C2 1 0.86991722 0.58233261 0.82575535 1\n C C3 1 0.32387882 0.62831355 0.73496396 1\n C C4 1 0.27838676 0.17471690 0.64198987 1\n C C5 1 0.45970987 0.99198170 0.00558154 1\n C C6 1 0.73181050 0.22084231 0.55109191 1\n C C7 1 0.53302637 -0.08130695 0.15277496 1\n C C8 1 0.91828451 0.03384821 0.92246783 1\n C C9 1 0.68456980 0.76927691 0.45456020 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53374000\n_cell_length_b 3.76692000\n_cell_length_c 5.05380000\n_cell_angle_alpha 90.09917000\n_cell_angle_beta 90.07485000\n_cell_angle_gamma 89.97195000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.23534876\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28419072 0.36492818 0.11767738 1\n C C1 1 0.28611801 0.23570520 0.84142225 1\n C C2 1 0.78500255 0.55976136 0.48694916 1\n C C3 1 0.78369186 0.86075725 0.27785175 1\n C C4 1 0.28636347 0.55860875 0.65693836 1\n C C5 1 0.78397261 0.25892504 0.27737392 1\n C C6 1 0.28388324 0.75341769 0.11813512 1\n C C7 1 0.28608635 0.87939955 0.84199065 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50207000\n_cell_length_b 4.21590000\n_cell_length_c 9.77048000\n_cell_angle_alpha 66.18722000\n_cell_angle_beta 79.71807000\n_cell_angle_gamma 88.96273000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.60881618\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33313534 0.12169621 0.71038825 1\n C C1 1 0.85297941 0.18359457 0.20574927 1\n C C2 1 0.69680647 0.06969994 0.94060622 1\n C C3 1 -0.16595805 0.63468910 0.69303648 1\n C C4 1 1.04686867 0.73713762 0.36462077 1\n C C5 1 -0.02113815 0.35724927 0.47556770 1\n C C6 1 0.64523806 0.81826518 0.11144540 1\n C C7 1 0.87270913 0.33478886 0.64397587 1\n C C8 1 0.47696104 0.13570865 0.47614225 1\n C C9 1 0.36998721 0.85890475 0.64230935 1\n C C10 1 0.22790088 -0.03208321 0.87851361 1\n C C11 1 1.14916745 0.58247856 0.93708120 1\n C C12 1 0.56057330 0.96268683 0.36531743 1\n C C13 1 0.69953668 0.46124958 0.88129926 1\n C C14 1 0.09118085 0.86847983 0.19060986 1\n C C15 1 -0.14400567 0.49220437 0.09852258 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.13290000\n_cell_length_b 2.43082000\n_cell_length_c 6.19953000\n_cell_angle_alpha 90.82433000\n_cell_angle_beta 100.32994000\n_cell_angle_gamma 111.20865000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.13946991\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42065435 0.44996502 0.49300251 1\n C C1 1 0.30466581 0.89176971 0.38231077 1\n C C2 1 0.75450026 1.11670979 0.82624306 1\n C C3 1 1.08719523 0.78316421 0.15970676 1\n C C4 1 0.63868709 0.55860411 0.71552227 1\n C C5 1 0.97160855 0.22517035 0.04891344 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52166000\n_cell_length_b 4.58509000\n_cell_length_c 5.25957000\n_cell_angle_alpha 76.71378000\n_cell_angle_beta 90.06540000\n_cell_angle_gamma 89.96252000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.18361764\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63346204 0.42239516 0.31973891 1\n C C1 1 0.13281732 0.83090549 0.00195980 1\n C C2 1 0.63216933 0.28876108 0.81470612 1\n C C3 1 0.63286494 0.52939029 0.56874616 1\n C C4 1 0.63322533 0.82072045 0.58247946 1\n C C5 1 0.13337441 1.03679625 0.17922122 1\n C C6 1 0.13252792 0.31388841 -0.02782361 1\n C C7 1 1.13298827 0.52007488 0.14923754 1\n C C8 1 0.63249638 0.92972492 0.83084348 1\n C C9 1 0.63375216 0.06202747 0.33665552 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46103000\n_cell_length_b 3.41531000\n_cell_length_c 5.48653000\n_cell_angle_alpha 90.51742000\n_cell_angle_beta 50.77493000\n_cell_angle_gamma 90.62730000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.23670625\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20834777 0.03236961 0.96432200 1\n C C1 1 0.71447143 0.52728428 0.96446070 1\n C C2 1 0.81113174 0.12383271 0.29980400 1\n C C3 1 0.46840533 0.46539819 0.29926484 1\n C C4 1 0.02337877 0.18809289 0.46696871 1\n C C5 1 0.36642860 0.84670173 0.46764279 1\n C C6 1 1.11801580 0.78131710 0.80220283 1\n C C7 1 0.62447885 0.27471129 0.80273083 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.29682000\n_cell_length_b 5.59823000\n_cell_length_c 4.37739000\n_cell_angle_alpha 100.16973000\n_cell_angle_beta 82.95393000\n_cell_angle_gamma 61.28499000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.23115749\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76938630 0.68823308 0.15541379 1\n C C1 1 0.34613916 0.53474083 0.31481812 1\n C C2 1 0.19048310 0.85200967 -0.00976242 1\n C C3 1 0.11540739 0.33901432 0.51135507 1\n C C4 1 0.85524492 0.85519888 0.99421711 1\n C C5 1 0.60992604 1.01442116 0.82624264 1\n C C6 1 0.69579191 0.18130444 0.66539047 1\n C C7 1 0.27532714 0.01680772 0.82946953 1\n C C8 1 0.44480458 0.33846478 0.51058768 1\n C C9 1 0.44161127 0.68887509 0.15623156 1\n C C10 1 0.02385798 0.18024817 0.66425615 1\n C C11 1 0.01665992 0.53538435 0.31571131 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41198000\n_cell_length_b 3.41425000\n_cell_length_c 6.21598000\n_cell_angle_alpha 89.96928000\n_cell_angle_beta 89.99440000\n_cell_angle_gamma 90.01041000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.41213154\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.15610616 0.40539155 0.59285689 1\n C C1 1 0.99071016 0.91801129 0.08680110 1\n C C2 1 0.59768335 0.96351189 0.81202573 1\n C C3 1 0.03577076 0.52524009 0.81200789 1\n C C4 1 0.97589845 0.90316213 0.33252221 1\n C C5 1 0.81645060 0.24444543 0.95207213 1\n C C6 1 0.65868088 0.58549269 0.33254940 1\n C C7 1 0.31659604 0.74445380 0.95203563 1\n C C8 1 0.64306203 0.57071363 0.08686947 1\n C C9 1 0.47788138 1.08313101 0.59277207 1\n C C10 1 0.81703966 0.24425427 0.45930965 1\n C C11 1 0.31712184 0.74440482 0.45932622 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48689000\n_cell_length_b 3.51797000\n_cell_length_c 4.30426000\n_cell_angle_alpha 114.12092000\n_cell_angle_beta 73.17262000\n_cell_angle_gamma 90.00454000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59482130\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83489960 0.42157331 0.26632417 1\n C C1 1 0.33477566 0.17194269 0.26650196 1\n C C2 1 0.50156627 0.75490664 -0.06700916 1\n C C3 1 0.66810900 0.83860936 0.59983529 1\n C C4 1 1.00144233 0.50527603 0.93316863 1\n C C5 1 0.16823294 0.08823997 0.59965751 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42840000\n_cell_length_b 4.15839000\n_cell_length_c 6.34830000\n_cell_angle_alpha 99.40951000\n_cell_angle_beta 79.00787000\n_cell_angle_gamma 89.98199000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.05092987\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18043847 0.11456745 0.59295872 1\n C C1 1 0.19720963 0.45343047 0.55237706 1\n C C2 1 0.64373513 0.62543020 0.65756340 1\n C C3 1 0.86595710 0.49680784 0.21147244 1\n C C4 1 0.31096435 0.47034429 0.31690867 1\n C C5 1 0.66643159 0.96489513 0.61651436 1\n C C6 1 -0.02775944 0.57312755 0.99690621 1\n C C7 1 0.52693537 0.60491218 -0.10713746 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42664000\n_cell_length_b 5.61222000\n_cell_length_c 6.34030000\n_cell_angle_alpha 78.70649000\n_cell_angle_beta 78.96840000\n_cell_angle_gamma 77.19235000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.57469686\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49091386 0.17397517 0.69670132 1\n C C1 1 0.88492741 0.88251502 0.19475388 1\n C C2 1 1.25823796 0.79317790 0.53741457 1\n C C3 1 0.07925060 0.33480272 0.36433839 1\n C C4 1 0.62154096 0.36195790 0.25018774 1\n C C5 1 0.68714922 0.45898097 1.02672552 1\n C C6 1 0.20460598 0.52953086 -0.07922854 1\n C C7 1 0.01257449 0.24158066 0.58845022 1\n C C8 1 0.14593257 0.78127556 0.77722751 1\n C C9 1 0.43138313 0.90757182 0.08285495 1\n C C10 1 0.80449931 0.81555039 0.42582410 1\n C C11 1 0.54256819 -0.07724868 0.84209274 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.92243000\n_cell_length_b 4.66708000\n_cell_length_c 4.67039000\n_cell_angle_alpha 103.68717000\n_cell_angle_beta 98.36460000\n_cell_angle_gamma 105.36086000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.18894497\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.36937841 0.89112929 0.67849304 1\n C C1 1 0.36762152 0.20669089 0.36083654 1\n C C2 1 0.36874796 0.20205226 0.67332921 1\n C C3 1 0.36872715 0.75577446 0.90957543 1\n C C4 1 0.36811240 0.43928255 0.22670664 1\n C C5 1 0.36850775 0.91658953 0.19998413 1\n C C6 1 0.36837312 0.72970505 0.38783407 1\n C C7 1 0.36728308 0.44375037 0.91456712 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42937000\n_cell_length_b 2.42910000\n_cell_length_c 11.45744000\n_cell_angle_alpha 77.91794000\n_cell_angle_beta 85.71942000\n_cell_angle_gamma 59.97523000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.20658349\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35201663 1.11802847 0.58370957 1\n C C1 1 0.63709835 0.47185446 0.08352946 1\n C C2 1 0.80399311 0.14714511 0.32837016 1\n C C3 1 0.01923847 0.78437684 0.58365432 1\n C C4 1 -0.04676925 0.04175207 0.83970657 1\n C C5 1 0.28597576 0.37592586 0.83924408 1\n C C6 1 0.47102120 0.81345528 0.32850817 1\n C C7 1 0.96987122 0.80609140 0.08292335 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50988000\n_cell_length_b 3.76927000\n_cell_length_c 6.79971000\n_cell_angle_alpha 123.65786000\n_cell_angle_beta 111.54372000\n_cell_angle_gamma 90.03443000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.04138588\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91249187 0.35203972 0.55040425 1\n C C1 1 0.76981161 0.02735413 0.90733224 1\n C C2 1 0.77012946 0.39085478 0.90762408 1\n C C3 1 0.70542003 0.84416980 0.34283470 1\n C C4 1 1.04679845 0.17851505 0.18297214 1\n C C5 1 0.04639810 0.79050138 0.18294014 1\n C C6 1 0.70564172 0.44391695 0.34247875 1\n C C7 1 0.58323866 0.52417919 0.72219900 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47489000\n_cell_length_b 4.16045000\n_cell_length_c 6.89454000\n_cell_angle_alpha 107.62483000\n_cell_angle_beta 79.61434000\n_cell_angle_gamma 89.97010000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.43482081\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35959227 0.53715652 0.16534921 1\n C C1 1 0.02925055 0.86885777 0.82388610 1\n C C2 1 -0.19357824 0.09017663 0.26923322 1\n C C3 1 0.69600526 0.69925607 0.49095124 1\n C C4 1 0.80660624 0.46004194 0.26906143 1\n C C5 1 1.02959742 0.23760058 0.82340396 1\n C C6 1 1.13938246 0.62926040 0.60171957 1\n C C7 1 0.47653011 0.41984101 -0.07256958 1\n C C8 1 0.35917699 0.90922092 0.16589324 1\n C C9 1 0.69593146 0.07403188 0.49108101 1\n C C10 1 0.47621007 0.79053213 0.92776209 1\n C C11 1 0.13933072 0.25502936 0.60169042 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45134000\n_cell_length_b 5.97781000\n_cell_length_c 4.90466000\n_cell_angle_alpha 65.72972000\n_cell_angle_beta 89.99129000\n_cell_angle_gamma 65.72670000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.48127938\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39228766 0.33148194 0.37883799 1\n C C1 1 0.10251181 0.62387594 0.83212331 1\n C C2 1 0.91324868 0.81196298 -0.02418091 1\n C C3 1 0.39167120 0.33204528 0.05266174 1\n C C4 1 -0.04095967 0.76715592 0.49770395 1\n C C5 1 0.06344985 0.16045633 0.53475808 1\n C C6 1 0.10327317 0.62315279 0.30778608 1\n C C7 1 0.06255083 0.16130497 0.06634957 1\n C C8 1 0.27032150 0.95557392 0.40305892 1\n C C9 1 1.21844606 1.00578932 0.87865476 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45624000\n_cell_length_b 4.44714000\n_cell_length_c 6.60542000\n_cell_angle_alpha 111.97741000\n_cell_angle_beta 90.27088000\n_cell_angle_gamma 105.66590000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 63.97015358\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27497413 0.55843737 1.05593867 1\n C C1 1 0.57939439 0.16512800 0.17876675 1\n C C2 1 0.71876864 0.44486106 0.09608916 1\n C C3 1 0.41284785 -0.16194256 -0.02695015 1\n C C4 1 0.21414044 0.43562342 0.52024216 1\n C C5 1 -0.11374650 0.78692848 0.84189969 1\n C C6 1 0.10633296 0.21578950 0.30967654 1\n C C7 1 0.77932618 0.56613793 0.63170508 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45663000\n_cell_length_b 3.66453000\n_cell_length_c 6.41917000\n_cell_angle_alpha 74.31246000\n_cell_angle_beta 89.96251000\n_cell_angle_gamma 70.37693000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.14456467\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98812881 0.53458216 0.10439047 1\n C C1 1 0.83546488 0.84026297 0.24184384 1\n C C2 1 0.23965931 0.03113622 0.52589969 1\n C C3 1 0.61715895 0.27734341 0.43951833 1\n C C4 1 0.39117571 0.72657990 0.38804168 1\n C C5 1 0.33863531 0.83296995 0.76238119 1\n C C6 1 0.61181803 0.28887832 0.19140138 1\n C C7 1 -0.11197760 0.73271297 0.86761773 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48734000\n_cell_length_b 4.78520000\n_cell_length_c 6.28454000\n_cell_angle_alpha 67.60488000\n_cell_angle_beta 78.59181000\n_cell_angle_gamma 90.00713000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.55767764\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77533142 0.74655407 0.26696073 1\n C C1 1 0.08376306 -0.00557957 0.64663491 1\n C C2 1 0.85781249 0.59150570 0.10169477 1\n C C3 1 0.20124777 0.61044324 0.41394999 1\n C C4 1 0.42920641 0.66256084 0.95849837 1\n C C5 1 0.77549074 0.27053862 0.26655742 1\n C C6 1 0.51086836 -0.01679371 0.79362648 1\n C C7 1 1.08344815 0.64240207 0.64674055 1\n C C8 1 -0.14765402 0.08524852 0.11341294 1\n C C9 1 0.43529248 0.16843574 -0.05300182 1\n C C10 1 0.20147811 0.25930027 0.41359026 1\n C C11 1 0.51055032 0.50691430 0.79364140 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47234000\n_cell_length_b 3.23077000\n_cell_length_c 6.11260000\n_cell_angle_alpha 68.03902000\n_cell_angle_beta 78.31428000\n_cell_angle_gamma 112.49445000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.28250472\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12658486 0.37217354 0.69862380 1\n C C1 1 0.52697307 -0.04818949 0.47967236 1\n C C2 1 0.18003462 0.10465765 0.32664555 1\n C C3 1 0.43742039 0.36351552 0.07051452 1\n C C4 1 0.48776390 0.09430475 0.69872940 1\n C C5 1 0.08973117 0.51587043 0.91746207 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46209000\n_cell_length_b 5.22129000\n_cell_length_c 5.56038000\n_cell_angle_alpha 90.77953000\n_cell_angle_beta 89.99306000\n_cell_angle_gamma 89.99426000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.47365809\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84530922 0.71510589 0.70980106 1\n C C1 1 0.34524010 0.34722879 0.80320092 1\n C C2 1 0.34639278 0.05326230 0.22313718 1\n C C3 1 0.34523661 0.65682130 1.12139748 1\n C C4 1 0.34536686 0.63424937 0.85192094 1\n C C5 1 0.84527018 -0.01004042 0.63461142 1\n C C6 1 0.84522868 0.58845091 0.23161235 1\n C C7 1 0.84537367 0.19462660 0.85877076 1\n C C8 1 0.84519394 0.51129727 0.48478187 1\n C C9 1 0.34526783 0.35849058 0.53917891 1\n C C10 1 0.84653527 0.12071967 0.11284269 1\n C C11 1 0.34540336 0.07112083 0.49243151 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.67330000\n_cell_length_b 4.80687000\n_cell_length_c 4.14143000\n_cell_angle_alpha 106.50690000\n_cell_angle_beta 119.80352000\n_cell_angle_gamma 94.33424000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.74641677\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18253095 0.20008214 0.73522887 1\n C C1 1 0.12782982 0.70191217 0.67855263 1\n C C2 1 0.78132759 1.00979108 0.33211116 1\n C C3 1 0.34081413 0.51088569 0.89225237 1\n C C4 1 0.74177040 0.70112262 0.29556597 1\n C C5 1 0.39510762 0.00914411 0.94923100 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45922000\n_cell_length_b 5.18504000\n_cell_length_c 6.69157000\n_cell_angle_alpha 92.42926000\n_cell_angle_beta 90.01775000\n_cell_angle_gamma 90.00274000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.24855524\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74730596 0.75039171 0.22235837 1\n C C1 1 0.24936590 0.84092271 0.91980312 1\n C C2 1 0.24668382 1.11135439 0.42900712 1\n C C3 1 0.24649178 0.41258714 0.41550622 1\n C C4 1 0.24817022 0.86158048 0.70355849 1\n C C5 1 0.74776028 0.76991205 0.59255400 1\n C C6 1 0.74733020 0.28738573 0.71582503 1\n C C7 1 0.24738074 0.42163898 0.02673972 1\n C C8 1 0.24700793 0.57163811 0.22603201 1\n C C9 1 0.74680405 0.94280052 0.39708626 1\n C C10 1 0.74930801 0.86183348 0.02002939 1\n C C11 1 0.24727989 0.13838373 0.65783291 1\n C C12 1 0.74722273 0.35494201 0.93520838 1\n C C13 1 0.74673789 0.48772616 0.54178316 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48417000\n_cell_length_b 3.82492000\n_cell_length_c 5.78554000\n_cell_angle_alpha 73.69534000\n_cell_angle_beta 64.55453000\n_cell_angle_gamma 71.03406000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.29995315\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94572559 0.76929596 0.08159039 1\n C C1 1 0.13326035 0.62024232 0.46722428 1\n C C2 1 0.47055288 0.27066482 0.30482736 1\n C C3 1 0.62898245 0.84221043 0.36083717 1\n C C4 1 0.89920733 0.51510314 0.75386782 1\n C C5 1 0.56260398 0.86454019 0.91666606 1\n C C6 1 0.40445887 0.29229823 0.86008287 1\n C C7 1 0.08891964 0.36580881 0.13960277 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43873000\n_cell_length_b 4.68538000\n_cell_length_c 4.68975000\n_cell_angle_alpha 112.77546000\n_cell_angle_beta 105.07402000\n_cell_angle_gamma 74.97331000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.94548865\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61252682 -0.06784441 0.21304947 1\n C C1 1 0.01202147 0.66428530 0.74330014 1\n C C2 1 0.16338180 0.71904070 0.10401118 1\n C C3 1 0.85892730 1.02486221 0.79754679 1\n C C4 1 0.66814023 0.14375672 0.53692894 1\n C C5 1 0.40989187 0.13456647 1.01080680 1\n C C6 1 0.35513804 0.45846069 0.22316911 1\n C C7 1 0.51192748 0.48696171 0.56605917 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43003000\n_cell_length_b 2.43037000\n_cell_length_c 8.50833000\n_cell_angle_alpha 97.35884000\n_cell_angle_beta 88.06227000\n_cell_angle_gamma 120.00732000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.12862490\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70235511 0.01919891 0.74892573 1\n C C1 1 0.61654878 0.21778453 0.08182443 1\n C C2 1 0.03640209 0.68598516 0.74905509 1\n C C3 1 0.26183069 0.20165197 0.41740241 1\n C C4 1 0.28375002 0.55179103 0.08219314 1\n C C5 1 0.59439201 0.86805671 0.41759111 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45975000\n_cell_length_b 4.54241000\n_cell_length_c 6.97847000\n_cell_angle_alpha 107.12618000\n_cell_angle_beta 100.18070000\n_cell_angle_gamma 105.69498000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.89380503\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24682851 0.57979830 0.81181288 1\n C C1 1 0.23630658 0.41572130 0.95888189 1\n C C2 1 0.99119190 0.06016464 0.82247327 1\n C C3 1 0.62801188 0.73378138 0.41868873 1\n C C4 1 0.22391104 0.09342762 0.25154150 1\n C C5 1 0.87312715 1.03536689 0.60621716 1\n C C6 1 0.48246063 0.40052472 0.46023400 1\n C C7 1 0.67979792 0.12461531 0.13161742 1\n C C8 1 0.07491264 0.75710125 0.29108943 1\n C C9 1 -0.17276335 0.45830578 0.09607171 1\n C C10 1 0.02996706 0.36643202 0.58636431 1\n C C11 1 0.46157673 0.92691757 0.89470340 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42911000\n_cell_length_b 2.42941000\n_cell_length_c 8.45819000\n_cell_angle_alpha 82.72198000\n_cell_angle_beta 93.47616000\n_cell_angle_gamma 120.01294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.87301141\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04723332 -0.14201986 -0.10960288 1\n C C1 1 0.71393611 0.19142041 0.89037489 1\n C C2 1 0.06610825 0.69804470 0.22670177 1\n C C3 1 0.88423040 0.93986222 0.56048527 1\n C C4 1 0.21662952 0.60633044 0.56004029 1\n C C5 1 0.39936991 0.36463789 0.22664365 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.55080000\n_cell_length_b 5.14231000\n_cell_length_c 5.01618000\n_cell_angle_alpha 88.20327000\n_cell_angle_beta 50.67973000\n_cell_angle_gamma 59.99224000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.77007298\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52532032 0.42023745 0.83622939 1\n C C1 1 0.59732359 1.03489658 1.07674803 1\n C C2 1 0.46292684 0.97831800 0.40199466 1\n C C3 1 0.60076335 0.67850659 0.42662743 1\n C C4 1 0.11466911 0.53246150 0.54495955 1\n C C5 1 0.14327378 0.30364184 0.71644240 1\n C C6 1 0.05929946 1.04649598 0.14073865 1\n C C7 1 0.87439916 0.86608048 0.69363751 1\n C C8 1 0.38912943 0.36396467 0.16193329 1\n C C9 1 0.38657597 0.71983174 0.81107657 1\n C C10 1 0.84587561 0.09467085 0.52174224 1\n C C11 1 -0.07212162 0.35162543 1.09745156 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48752000\n_cell_length_b 4.69240000\n_cell_length_c 4.06303000\n_cell_angle_alpha 73.97337000\n_cell_angle_beta 90.00007000\n_cell_angle_gamma 90.00716000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.58220593\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47644189 0.81015061 -0.05110836 1\n C C1 1 -0.02366657 0.38802025 0.38308207 1\n C C2 1 0.97630075 0.45666201 0.71708416 1\n C C3 1 0.47643506 0.03415779 0.15105353 1\n C C4 1 -0.02358747 0.80498929 0.72413161 1\n C C5 1 0.47640012 0.50229349 0.18189713 1\n C C6 1 0.47626899 0.34256098 0.91823546 1\n C C7 1 0.97631522 0.03942777 0.37576029 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48123000\n_cell_length_b 3.68897000\n_cell_length_c 4.21982000\n_cell_angle_alpha 104.88232000\n_cell_angle_beta 89.96136000\n_cell_angle_gamma 109.64903000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99931665\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25591064 0.69599437 0.19030231 1\n C C1 1 0.83450109 0.85342234 1.05978591 1\n C C2 1 0.37691314 -0.05995384 0.56367086 1\n C C3 1 0.79862674 0.78369389 0.69457255 1\n C C4 1 1.05551401 0.29860573 0.26639021 1\n C C5 1 0.57509407 0.33799161 0.48831615 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48307000\n_cell_length_b 4.26841000\n_cell_length_c 6.56550000\n_cell_angle_alpha 64.47893000\n_cell_angle_beta 67.71010000\n_cell_angle_gamma 89.94215000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.99442746\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56849696 0.13434083 0.78233952 1\n C C1 1 0.30321211 1.08898342 0.04836430 1\n C C2 1 0.95584800 0.20031047 0.39857923 1\n C C3 1 0.69330870 0.85845187 0.15901115 1\n C C4 1 0.82877686 0.44388947 0.52305910 1\n C C5 1 0.34532859 0.96990697 0.50934235 1\n C C6 1 0.23629995 0.38784050 1.11546075 1\n C C7 1 1.07622103 0.92482229 0.77527700 1\n C C8 1 0.81685360 0.61489166 1.03467315 1\n C C9 1 0.40963571 0.67101741 0.44242496 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42690000\n_cell_length_b 5.48655000\n_cell_length_c 6.33459000\n_cell_angle_alpha 79.56258000\n_cell_angle_beta 79.02958000\n_cell_angle_gamma 76.84584000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 79.79013531\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03484014 0.35122201 0.56733352 1\n C C1 1 0.29607952 1.13851436 0.12750876 1\n C C2 1 0.54791478 0.68764569 0.07316788 1\n C C3 1 0.48866076 0.41532034 0.45727462 1\n C C4 1 0.82959181 0.81757363 0.38012645 1\n C C5 1 0.77380337 1.07465097 0.23666969 1\n C C6 1 -0.09966328 0.25825238 0.79064357 1\n C C7 1 1.09501840 0.71129251 0.96129390 1\n C C8 1 0.36019733 0.23263707 0.90442573 1\n C C9 1 0.71904173 0.80096935 0.62003200 1\n C C10 1 0.43654220 0.67241316 0.31346129 1\n C C11 1 1.17246082 0.77867282 0.73149769 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43520000\n_cell_length_b 5.52231000\n_cell_length_c 9.76093000\n_cell_angle_alpha 128.84698000\n_cell_angle_beta 97.19588000\n_cell_angle_gamma 89.94959000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 100.91259265\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55760927 0.69021673 0.55078451 1\n C C1 1 0.28371600 0.05981745 0.99517917 1\n C C2 1 -0.21398823 0.71225275 0.99856011 1\n C C3 1 0.46858339 0.38485466 0.37237542 1\n C C4 1 0.45471489 0.83508171 0.34669901 1\n C C5 1 0.81233914 0.52919347 0.05948920 1\n C C6 1 0.69113645 0.56667267 0.80538693 1\n C C7 1 0.54472009 0.94424257 0.52569936 1\n C C8 1 0.17422039 0.15142947 0.78029045 1\n C C9 1 0.92511868 1.27640056 0.28255356 1\n C C10 1 0.64078541 0.22291924 0.71534996 1\n C C11 1 0.27362735 0.31349863 -0.02222549 1\n C C12 1 0.18761187 0.72386049 0.79875852 1\n C C13 1 0.11797055 0.78889380 0.66786640 1\n C C14 1 0.82784690 1.04655034 1.08517502 1\n C C15 1 -0.09144254 0.73530276 0.25588126 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46311000\n_cell_length_b 4.44460000\n_cell_length_c 6.09204000\n_cell_angle_alpha 104.79722000\n_cell_angle_beta 83.10291000\n_cell_angle_gamma 84.13512000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.39825637\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37319467 0.23229447 0.72124216 1\n C C1 1 0.77616973 1.00877049 1.01195898 1\n C C2 1 0.76482720 0.66512187 1.00927288 1\n C C3 1 -0.08190044 0.21952707 0.57973402 1\n C C4 1 0.69085108 0.91478999 0.23168970 1\n C C5 1 0.26494785 0.63846634 0.45676517 1\n C C6 1 0.29917613 0.48202066 0.94505716 1\n C C7 1 0.28973169 0.13986802 0.94271083 1\n C C8 1 0.79938310 0.50658820 0.49183911 1\n C C9 1 0.14412560 -0.07164552 0.37357738 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43321000\n_cell_length_b 4.22397000\n_cell_length_c 4.81746000\n_cell_angle_alpha 89.40529000\n_cell_angle_beta 75.29112000\n_cell_angle_gamma 73.28659000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.76220521\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24582359 1.04107775 0.84364415 1\n C C1 1 0.48807343 0.81498547 0.58420933 1\n C C2 1 0.54332516 0.98802340 0.30319128 1\n C C3 1 0.34754610 0.35276037 0.33099122 1\n C C4 1 1.04876918 0.40559739 0.87150065 1\n C C5 1 0.18963206 0.88058166 0.11867712 1\n C C6 1 0.10429724 0.57854926 0.59065888 1\n C C7 1 0.40277534 0.51366210 0.05586387 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52271000\n_cell_length_b 4.45303000\n_cell_length_c 5.60018000\n_cell_angle_alpha 124.23714000\n_cell_angle_beta 106.45376000\n_cell_angle_gamma 97.50454000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.42415647\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72635961 0.32393257 0.48099719 1\n C C1 1 0.91525724 0.04095593 0.76855506 1\n C C2 1 0.57651760 1.12037824 0.96889132 1\n C C3 1 0.58150625 -0.04043719 0.14776332 1\n C C4 1 -0.01471162 0.55456472 0.24998842 1\n C C5 1 0.64660589 0.63438516 0.45021213 1\n C C6 1 0.98012507 0.71558427 0.07097475 1\n C C7 1 -0.16511095 0.35110080 0.73793620 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43317000\n_cell_length_b 4.05232000\n_cell_length_c 4.58019000\n_cell_angle_alpha 84.11789000\n_cell_angle_beta 102.63750000\n_cell_angle_gamma 93.10898000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.81095864\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86488230 0.26285181 0.81440408 1\n C C1 1 0.97614475 0.48037303 1.03900003 1\n C C2 1 0.53180818 0.59219811 0.15037249 1\n C C3 1 0.30918191 0.15045423 0.70321929 1\n C C4 1 0.19822038 0.92819116 0.48190058 1\n C C5 1 0.64237589 0.81610606 0.37068394 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44952000\n_cell_length_b 5.23429000\n_cell_length_c 5.43117000\n_cell_angle_alpha 64.68494000\n_cell_angle_beta 89.97998000\n_cell_angle_gamma 89.99656000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.94862484\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68473980 0.72417004 0.78595955 1\n C C1 1 -0.31527974 0.29560493 0.44315079 1\n C C2 1 0.68525404 0.20451561 0.21059388 1\n C C3 1 0.68515815 0.60928482 0.33104337 1\n C C4 1 0.18556315 0.75108186 0.27935952 1\n C C5 1 0.18445723 0.86630830 0.73331337 1\n C C6 1 0.18530835 0.05997323 0.16918933 1\n C C7 1 0.18483944 0.27096566 0.85430949 1\n C C8 1 0.68489873 0.41519223 -0.10362032 1\n C C9 1 1.18452605 0.17965560 0.62122391 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50124000\n_cell_length_b 4.70136000\n_cell_length_c 10.62964000\n_cell_angle_alpha 84.26199000\n_cell_angle_beta 96.73767000\n_cell_angle_gamma 74.48157000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 118.47523015\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03820823 0.78608445 0.49656583 1\n C C1 1 0.35076458 0.42631207 0.90161984 1\n C C2 1 0.07766694 0.37040951 0.31116607 1\n C C3 1 0.47380825 0.69606621 0.43099652 1\n C C4 1 -0.11482981 0.68758393 0.24189995 1\n C C5 1 0.15038897 1.14089402 0.22391750 1\n C C6 1 1.17174703 0.76535273 0.88874531 1\n C C7 1 0.79895208 0.12535186 0.51036789 1\n C C8 1 0.60605787 0.14693191 0.13649486 1\n C C9 1 0.62379385 0.36453072 0.39725307 1\n C C10 1 0.34200337 0.82437546 0.29148983 1\n C C11 1 0.39033682 0.24118320 0.80745736 1\n C C12 1 0.56694884 -0.09497990 0.82278089 1\n C C13 1 0.75132722 0.82158934 0.10201787 1\n C C14 1 0.08810212 0.68418087 0.64121980 1\n C C15 1 0.43335104 0.39480574 0.03232924 1\n C C16 1 0.26762525 0.72725871 1.03767901 1\n C C17 1 0.26878651 0.36288759 0.68119431 1\n C C18 1 0.53004268 0.84149770 0.68314490 1\n C C19 1 0.33410091 0.13968740 0.59392757 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41385000\n_cell_length_b 4.76472000\n_cell_length_c 5.02435000\n_cell_angle_alpha 83.11285000\n_cell_angle_beta 66.08947000\n_cell_angle_gamma 96.58805000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.96236270\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84156089 0.18768225 0.22354585 1\n C C1 1 0.10678692 0.45561731 0.22417535 1\n C C2 1 0.48608146 0.57993696 -0.03160362 1\n C C3 1 0.97210877 0.06172460 0.97145347 1\n C C4 1 0.97459146 0.58107613 0.47624554 1\n C C5 1 0.59345108 0.44414856 0.72300827 1\n C C6 1 0.82223428 0.82074479 0.87495471 1\n C C7 1 0.46187835 1.06312886 0.47885193 1\n C C8 1 0.35449771 0.19705734 0.72557875 1\n C C9 1 0.12552537 0.82249069 0.57081126 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35123000\n_cell_length_b 4.05908000\n_cell_length_c 6.07728000\n_cell_angle_alpha 99.06820000\n_cell_angle_beta 81.28322000\n_cell_angle_gamma 76.47671000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.82893194\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69366322 0.72758201 0.71734166 1\n C C1 1 0.80588348 0.92897596 0.15364531 1\n C C2 1 0.47523400 -0.03576624 0.61508679 1\n C C3 1 0.47165335 0.92113455 0.36660742 1\n C C4 1 0.23563822 0.65655035 0.08049630 1\n C C5 1 0.63367969 0.72431927 0.96237741 1\n C C6 1 0.00559822 0.41319238 0.97548986 1\n C C7 1 0.40789750 0.54175642 0.27605224 1\n C C8 1 0.84549179 0.28599775 1.18601911 1\n C C9 1 -0.03364393 0.42689859 0.60020562 1\n C C10 1 0.16020033 0.23434479 0.73919542 1\n C C11 1 0.14488212 0.29892229 0.35994326 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48127000\n_cell_length_b 3.68869000\n_cell_length_c 4.83888000\n_cell_angle_alpha 57.45535000\n_cell_angle_beta 75.18338000\n_cell_angle_gamma 70.37149000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00723137\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53043016 0.86438986 0.30930579 1\n C C1 1 0.30509003 1.10361388 0.51623168 1\n C C2 1 0.78580631 0.92151891 0.73768812 1\n C C3 1 0.56168267 0.16089640 0.94422225 1\n C C4 1 1.10883735 0.57700078 0.43992350 1\n C C5 1 -0.01663622 0.44853027 0.81331276 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48193000\n_cell_length_b 3.68906000\n_cell_length_c 4.21865000\n_cell_angle_alpha 104.90658000\n_cell_angle_beta 89.97431000\n_cell_angle_gamma 109.67454000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98901701\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25951199 1.02576689 0.36815625 1\n C C1 1 0.48076491 0.47099708 0.57441206 1\n C C2 1 0.93992642 0.38299096 0.07019482 1\n C C3 1 0.73900814 -0.01481533 0.14603453 1\n C C4 1 0.51829106 0.53974901 0.93953049 1\n C C5 1 0.05931289 0.62820528 0.44388705 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44696000\n_cell_length_b 2.50857000\n_cell_length_c 10.74708000\n_cell_angle_alpha 105.48701000\n_cell_angle_beta 90.07476000\n_cell_angle_gamma 89.63225000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.57295541\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56370355 0.39845166 0.31410917 1\n C C1 1 0.06347110 0.54747127 0.00158469 1\n C C2 1 1.06575850 0.84259286 0.79469404 1\n C C3 1 0.06384185 0.48533987 0.39159363 1\n C C4 1 1.06439281 0.62566960 0.52453500 1\n C C5 1 0.56443456 0.69201231 0.59291319 1\n C C6 1 0.56566207 0.79474955 0.72822777 1\n C C7 1 0.06341735 0.70612749 0.14158887 1\n C C8 1 0.06469052 0.97264568 0.93561849 1\n C C9 1 0.56323828 0.79294271 0.21941943 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51064000\n_cell_length_b 4.18952000\n_cell_length_c 4.11218000\n_cell_angle_alpha 119.39554000\n_cell_angle_beta 89.99451000\n_cell_angle_gamma 107.62573000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.33630064\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65986258 0.80304775 0.68669145 1\n C C1 1 1.04629998 0.57939210 0.44384733 1\n C C2 1 0.66014228 0.80336037 0.05610734 1\n C C3 1 0.85276240 0.19130450 0.73063261 1\n C C4 1 0.04615628 0.57953052 0.07508677 1\n C C5 1 -0.14701151 0.19147065 0.40035671 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51950000\n_cell_length_b 5.97926000\n_cell_length_c 5.87064000\n_cell_angle_alpha 109.55955000\n_cell_angle_beta 103.13309000\n_cell_angle_gamma 102.04640000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.14980246\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70663352 0.25105975 0.59131709 1\n C C1 1 0.12666030 0.92155201 0.75063054 1\n C C2 1 0.13318468 0.76525953 -0.08495085 1\n C C3 1 0.34273472 0.33543141 0.76650546 1\n C C4 1 0.50527832 0.60853597 0.81964732 1\n C C5 1 0.49153424 0.83782730 0.57606630 1\n C C6 1 0.34791276 0.18905328 0.92139550 1\n C C7 1 0.47247395 0.20699514 0.16671285 1\n C C8 1 0.70034796 0.40799988 0.42714051 1\n C C9 1 0.36116170 -0.03367577 0.17572717 1\n C C10 1 0.32803511 0.56454180 0.52243510 1\n C C11 1 0.48564694 -0.01651551 0.42054711 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47475000\n_cell_length_b 3.72189000\n_cell_length_c 4.24903000\n_cell_angle_alpha 64.00868000\n_cell_angle_beta 90.00251000\n_cell_angle_gamma 90.00636000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17846874\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75212601 0.99673427 0.06360607 1\n C C1 1 0.25248412 0.45178062 0.56288042 1\n C C2 1 0.25314868 0.60799057 0.84128831 1\n C C3 1 0.75308743 0.40521114 1.06375184 1\n C C4 1 0.75247780 0.56233194 0.34158981 1\n C C5 1 0.25209606 1.01684835 0.84068794 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46270000\n_cell_length_b 3.39568000\n_cell_length_c 5.29387000\n_cell_angle_alpha 94.08797000\n_cell_angle_beta 90.01079000\n_cell_angle_gamma 111.26831000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.13392877\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97847833 0.71383205 0.40144468 1\n C C1 1 0.80047525 0.35826754 0.59834394 1\n C C2 1 0.57323003 0.90394295 0.52818885 1\n C C3 1 -0.04929946 0.64860197 0.12607757 1\n C C4 1 0.39590443 0.54858367 0.72377874 1\n C C5 1 0.43612521 0.61853012 -0.00073837 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52120000\n_cell_length_b 5.41507000\n_cell_length_c 6.47360000\n_cell_angle_alpha 45.47282000\n_cell_angle_beta 86.02786000\n_cell_angle_gamma 70.56330000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.62051177\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61247688 0.18032505 0.96592136 1\n C C1 1 0.41559818 0.55620049 0.39060963 1\n C C2 1 0.66685052 1.15692054 -0.25922133 1\n C C3 1 0.31857954 0.92230790 0.82503276 1\n C C4 1 0.99230478 0.37603528 0.93986724 1\n C C5 1 0.76353880 0.79122763 0.30667750 1\n C C6 1 0.59148774 0.76954813 0.70282512 1\n C C7 1 0.08985620 0.33766460 0.19160390 1\n C C8 1 0.49062887 -0.05557369 0.42885952 1\n C C9 1 0.46995209 0.53291207 0.16527440 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.83619000\n_cell_length_b 4.87499000\n_cell_length_c 4.25269000\n_cell_angle_alpha 103.43051000\n_cell_angle_beta 78.28625000\n_cell_angle_gamma 102.37392000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 74.56973282\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01307446 0.64119018 0.34602249 1\n C C1 1 0.55991137 0.01016962 0.97653908 1\n C C2 1 0.38420318 0.64158692 0.34550463 1\n C C3 1 0.61698355 0.83142323 0.15720533 1\n C C4 1 0.53619194 0.31831986 0.66289014 1\n C C5 1 0.16211633 0.19545745 0.78231730 1\n C C6 1 1.20607144 1.01043856 0.97716813 1\n C C7 1 -0.02952383 0.83095663 0.15706615 1\n C C8 1 0.63654187 0.51932027 0.46798667 1\n C C9 1 0.79042261 0.19555827 0.78252527 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46581000\n_cell_length_b 3.30735000\n_cell_length_c 6.62195000\n_cell_angle_alpha 75.04384000\n_cell_angle_beta 75.86704000\n_cell_angle_gamma 76.23672000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.70586753\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49644226 0.95402905 0.77000152 1\n C C1 1 0.40133226 0.24838096 0.39633330 1\n C C2 1 0.53342451 0.81692014 0.55521657 1\n C C3 1 0.92175955 0.22594847 0.76960958 1\n C C4 1 0.62238996 0.52418502 -0.07075738 1\n C C5 1 0.05785724 0.45903679 0.05824437 1\n C C6 1 1.10822740 0.54327013 0.55649711 1\n C C7 1 0.96310413 1.31755804 0.26756103 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48375000\n_cell_length_b 2.49117000\n_cell_length_c 7.51697000\n_cell_angle_alpha 99.73850000\n_cell_angle_beta 90.00437000\n_cell_angle_gamma 90.00397000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.84060715\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07082446 0.80104514 0.91841265 1\n C C1 1 0.42989710 0.42389969 0.15568957 1\n C C2 1 0.42923199 0.10346759 0.50410946 1\n C C3 1 0.92847194 0.23813919 0.79518658 1\n C C4 1 0.42841839 0.18901175 0.68799366 1\n C C5 1 0.92940691 0.04673411 0.39690935 1\n C C6 1 0.42946769 0.86309449 1.03657613 1\n C C7 1 -0.07009648 0.48269425 0.27356279 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45982000\n_cell_length_b 4.54289000\n_cell_length_c 7.11467000\n_cell_angle_alpha 110.48289000\n_cell_angle_beta 69.85234000\n_cell_angle_gamma 105.72851000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.88817709\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55533006 0.29558967 0.02903763 1\n C C1 1 -0.03318962 0.39038931 0.16609319 1\n C C2 1 0.80147934 0.51507648 0.89301039 1\n C C3 1 1.11744409 0.76024477 0.20182461 1\n C C4 1 0.31637901 0.81165516 0.53046557 1\n C C5 1 0.33406271 0.72053195 0.96436878 1\n C C6 1 0.17103414 0.43689296 0.48868564 1\n C C7 1 0.54920055 0.98408878 0.88114517 1\n C C8 1 0.57305284 0.91038589 0.32153760 1\n C C9 1 0.77296947 -0.02774320 0.65594344 1\n C C10 1 0.92709074 0.32319032 0.67658464 1\n C C11 1 0.72171037 0.28617110 0.36111793 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44329000\n_cell_length_b 5.56706000\n_cell_length_c 7.01623000\n_cell_angle_alpha 92.15991000\n_cell_angle_beta 79.88486000\n_cell_angle_gamma 90.06076000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 93.88275110\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89156185 0.01532679 0.82493295 1\n C C1 1 0.98537894 0.40764789 0.63953006 1\n C C2 1 0.23868865 0.97599806 0.12404489 1\n C C3 1 0.45329863 0.02805748 0.70540349 1\n C C4 1 1.02365303 0.66296839 0.57908519 1\n C C5 1 -0.20661300 -0.02825807 0.01635238 1\n C C6 1 0.87669450 0.46553706 0.85230557 1\n C C7 1 0.22469537 0.47383312 0.15531188 1\n C C8 1 0.51804233 0.78712437 0.58963208 1\n C C9 1 0.14701652 1.07013259 0.30854030 1\n C C10 1 0.61593075 0.19930851 0.37356122 1\n C C11 1 0.51223446 0.26250690 0.58692893 1\n C C12 1 0.68149891 0.42110720 0.24389401 1\n C C13 1 1.32834516 0.49282972 0.94986585 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28762000\n_cell_length_b 4.69224000\n_cell_length_c 4.58346000\n_cell_angle_alpha 126.91677000\n_cell_angle_beta 71.41985000\n_cell_angle_gamma 120.48339000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.70621381\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59693279 0.01613750 0.01140905 1\n C C1 1 0.13805728 0.01656882 0.18865211 1\n C C2 1 0.56335987 1.01631306 0.70098082 1\n C C3 1 1.08683865 0.70436731 0.52555264 1\n C C4 1 1.02278723 1.01617878 0.52375691 1\n C C5 1 0.07409253 0.32844113 0.18667155 1\n C C6 1 0.39923826 0.32821213 0.83777614 1\n C C7 1 0.76156449 0.70451466 0.87467599 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43190000\n_cell_length_b 4.85482000\n_cell_length_c 5.92237000\n_cell_angle_alpha 75.40979000\n_cell_angle_beta 89.08952000\n_cell_angle_gamma 59.90515000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.03411591\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.13270346 0.18761890 0.52241494 1\n C C1 1 0.20065576 0.85454117 0.52316192 1\n C C2 1 0.71416703 0.36611453 0.02354045 1\n C C3 1 0.20067598 0.35454117 0.52317511 1\n C C4 1 0.38079287 1.19925030 0.02271897 1\n C C5 1 0.71417746 0.86611738 0.02353583 1\n C C6 1 0.86728257 0.68761748 0.52241276 1\n C C7 1 0.38078829 0.69925366 1.02271272 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46250000\n_cell_length_b 5.41672000\n_cell_length_c 4.85970000\n_cell_angle_alpha 83.67230000\n_cell_angle_beta 69.63082000\n_cell_angle_gamma 65.58552000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.29159872\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07060198 0.20687473 0.17609510 1\n C C1 1 0.53532100 0.52090646 0.82012465 1\n C C2 1 0.37617657 0.28538909 0.35364341 1\n C C3 1 0.12951822 0.35048147 0.88065401 1\n C C4 1 0.91521343 0.57489179 0.47816290 1\n C C5 1 0.04426895 0.96224487 0.66116020 1\n C C6 1 0.37908318 0.88849480 0.12318049 1\n C C7 1 0.40453989 0.13348390 0.63857427 1\n C C8 1 0.31874584 0.74590936 0.41887883 1\n C C9 1 0.07434454 0.80959064 0.94522116 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27320000\n_cell_length_b 3.27097000\n_cell_length_c 3.63445000\n_cell_angle_alpha 104.58088000\n_cell_angle_beta 75.41538000\n_cell_angle_gamma 99.18784000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25256854\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39078742 0.95857331 0.92723984 1\n C C1 1 0.65676797 0.01403937 0.54570148 1\n C C2 1 0.60197442 0.74546357 0.16455249 1\n C C3 1 0.24053971 0.38499892 0.16463792 1\n C C4 1 0.02905060 0.59667986 0.92729542 1\n C C5 1 0.97351377 0.33093395 0.54586775 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.67385000\n_cell_length_b 4.81018000\n_cell_length_c 4.70764000\n_cell_angle_alpha 66.47991000\n_cell_angle_beta 70.98212000\n_cell_angle_gamma 69.22501000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.65364838\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46935838 0.68022000 0.00699392 1\n C C1 1 0.82940699 0.70536716 0.34728416 1\n C C2 1 0.17146316 0.84131122 0.24500547 1\n C C3 1 0.27532644 0.19726003 0.35152843 1\n C C4 1 1.04801240 0.19911492 0.13190005 1\n C C5 1 0.79855083 0.83103275 -0.05388228 1\n C C6 1 0.39295560 0.84637984 0.46407916 1\n C C7 1 0.21568608 0.69690715 0.79387136 1\n C C8 1 0.67876248 0.20709373 0.82758122 1\n C C9 1 0.62161655 0.32309824 0.12070071 1\n C C10 1 0.24600695 0.36569465 0.80234315 1\n C C11 1 0.00652955 0.36573781 0.57606595 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49393000\n_cell_length_b 6.15068000\n_cell_length_c 7.26210000\n_cell_angle_alpha 86.25810000\n_cell_angle_beta 69.86111000\n_cell_angle_gamma 90.00372000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 104.33218632\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70221846 0.70081070 0.47139509 1\n C C1 1 0.80296627 0.25260893 0.86723464 1\n C C2 1 -0.12733294 0.55125756 0.29956169 1\n C C3 1 0.59147710 0.30393537 0.58300950 1\n C C4 1 0.69030287 0.64113096 0.98372021 1\n C C5 1 0.00634883 -0.04303878 0.66730393 1\n C C6 1 0.20840463 0.84685629 0.46496537 1\n C C7 1 0.79632081 0.31740618 0.37345589 1\n C C8 1 0.42768075 1.00386025 0.24354449 1\n C C9 1 0.23633448 0.12961050 -0.06649871 1\n C C10 1 1.04973286 0.96782567 0.12104463 1\n C C11 1 0.50446730 0.52830221 0.66993674 1\n C C12 1 0.39520638 0.24952475 0.27412170 1\n C C13 1 0.86808196 0.50675400 0.80575569 1\n C C14 1 1.01649533 0.19776059 0.65764881 1\n C C15 1 1.19574210 0.77898758 -0.02191333 1\n C C16 1 0.37788183 0.92880992 0.79505503 1\n C C17 1 0.49235208 0.51747102 0.17969583 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43271000\n_cell_length_b 3.87507000\n_cell_length_c 12.42155000\n_cell_angle_alpha 59.93567000\n_cell_angle_beta 84.72212000\n_cell_angle_gamma 89.60074000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 100.80949759\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78299927 0.65805037 0.65159132 1\n C C1 1 0.34945601 0.51294120 0.50912713 1\n C C2 1 -0.04034231 0.26701462 0.27301885 1\n C C3 1 1.05813877 1.07118690 0.08339294 1\n C C4 1 0.10976194 -0.02300747 -0.01189396 1\n C C5 1 0.39053309 0.41748648 0.41423124 1\n C C6 1 0.82547680 0.56340259 0.55639895 1\n C C7 1 0.48373438 0.21633513 0.22576587 1\n C C8 1 0.21081621 0.79564135 0.79536752 1\n C C9 1 0.63452992 0.92881545 0.94041991 1\n C C10 1 0.53382946 0.12263748 0.13036101 1\n C C11 1 0.68606826 0.84188563 0.84349623 1\n C C12 1 0.25915831 0.70769131 0.69885274 1\n C C13 1 0.91412509 0.36451226 0.36762266 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.09605000\n_cell_length_b 4.04017000\n_cell_length_c 4.20852000\n_cell_angle_alpha 106.31265000\n_cell_angle_beta 108.29076000\n_cell_angle_gamma 109.26981000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.62156746\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27314750 0.33702589 0.33091631 1\n C C1 1 0.93642173 1.00567573 0.33048925 1\n C C2 1 0.93942955 0.00422484 0.66482449 1\n C C3 1 0.60284965 0.67250487 0.66410779 1\n C C4 1 0.27115874 0.33820095 -0.00282598 1\n C C5 1 0.60585481 0.67096442 0.99775595 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46501000\n_cell_length_b 3.77037000\n_cell_length_c 5.59591000\n_cell_angle_alpha 83.86268000\n_cell_angle_beta 77.25290000\n_cell_angle_gamma 61.12414000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.41962567\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39192792 0.61796974 0.53858960 1\n C C1 1 0.30017438 1.11598932 -0.22147766 1\n C C2 1 0.14234103 0.34623013 0.53867802 1\n C C3 1 0.99479992 0.84698451 0.77841187 1\n C C4 1 0.23437545 0.84795308 0.29919394 1\n C C5 1 1.05832066 0.48165987 0.95801683 1\n C C6 1 0.53994723 0.11655515 0.29932125 1\n C C7 1 0.47712981 0.48226701 0.11956487 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43326000\n_cell_length_b 2.50277000\n_cell_length_c 10.02980000\n_cell_angle_alpha 74.93659000\n_cell_angle_beta 90.05706000\n_cell_angle_gamma 90.03321000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.98155215\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91837156 0.63368835 0.18496305 1\n C C1 1 0.41791314 0.32650926 0.99961940 1\n C C2 1 0.41801039 0.73250751 0.08950267 1\n C C3 1 0.40972145 0.85015415 0.48927616 1\n C C4 1 0.90935413 0.90624016 0.41750570 1\n C C5 1 0.91543712 0.02183747 0.81789203 1\n C C6 1 0.41267871 0.70821036 0.63867855 1\n C C7 1 0.91704805 0.42714107 0.90741045 1\n C C8 1 0.41436525 1.12214949 0.72171950 1\n C C9 1 0.91564070 0.04787737 0.26793090 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46315000\n_cell_length_b 3.38842000\n_cell_length_c 7.92100000\n_cell_angle_alpha 71.13336000\n_cell_angle_beta 71.34517000\n_cell_angle_gamma 89.56538000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.85742149\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64672086 1.00473206 0.25267881 1\n C C1 1 1.25620854 -0.06049465 0.58124036 1\n C C2 1 0.08232069 0.25645713 0.82406271 1\n C C3 1 0.68366809 0.70198603 0.14948882 1\n C C4 1 1.18709226 0.35605877 0.45411898 1\n C C5 1 0.89626040 0.59792297 0.69942595 1\n C C6 1 0.77126033 0.45373693 0.56149215 1\n C C7 1 0.57278699 0.75056154 0.83256446 1\n C C8 1 0.44613326 0.10194259 0.69894695 1\n C C9 1 0.50988790 0.71257900 0.45578039 1\n C C10 1 0.32615911 0.35096483 0.25102470 1\n C C11 1 -0.16715379 0.83928946 0.93816045 1\n C C12 1 0.15711467 0.50143080 0.94238234 1\n C C13 1 0.00353640 0.35930864 0.16265873 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52366000\n_cell_length_b 4.36553000\n_cell_length_c 4.75472000\n_cell_angle_alpha 102.75469000\n_cell_angle_beta 112.58223000\n_cell_angle_gamma 94.12026000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.45453040\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25746202 1.03316120 0.05255485 1\n C C1 1 0.84011688 0.48590203 0.68801740 1\n C C2 1 0.78407554 0.57218374 0.19324847 1\n C C3 1 0.21085203 0.27916414 0.57905008 1\n C C4 1 0.13937212 0.01140412 0.70885084 1\n C C5 1 0.16519519 0.66514704 0.03744027 1\n C C6 1 -0.09715471 0.72384214 0.52400852 1\n C C7 1 0.88196473 0.21321200 0.21370288 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43202000\n_cell_length_b 3.09244000\n_cell_length_c 7.70428000\n_cell_angle_alpha 91.93576000\n_cell_angle_beta 88.56714000\n_cell_angle_gamma 86.14126000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.75696201\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07919912 0.82610512 0.50954020 1\n C C1 1 0.91877590 0.33999531 0.01175525 1\n C C2 1 0.41951072 0.41849110 0.92727839 1\n C C3 1 0.91913077 0.17108675 0.17773386 1\n C C4 1 0.42087653 0.57492466 0.75948584 1\n C C5 1 0.42086620 0.91017520 0.42585698 1\n C C6 1 0.41900888 0.08780063 0.26137737 1\n C C7 1 0.92163482 0.65347532 0.67484932 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42940000\n_cell_length_b 3.19601000\n_cell_length_c 6.65455000\n_cell_angle_alpha 71.96914000\n_cell_angle_beta 68.32145000\n_cell_angle_gamma 67.39556000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.47206717\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99023389 0.09116022 0.15631761 1\n C C1 1 0.54371152 0.20408021 0.04555598 1\n C C2 1 0.32589227 0.75448051 0.48894467 1\n C C3 1 0.87853362 0.86811427 0.37860373 1\n C C4 1 0.65933224 0.42075910 0.82259297 1\n C C5 1 0.21376977 0.53278218 0.71130974 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.91869000\n_cell_length_b 3.61941000\n_cell_length_c 4.66007000\n_cell_angle_alpha 105.37409000\n_cell_angle_beta 105.07714000\n_cell_angle_gamma 100.96557000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.02128347\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07383774 0.40945016 0.54259595 1\n C C1 1 0.77002099 0.75514985 0.23181168 1\n C C2 1 1.07361710 0.02828529 0.54223390 1\n C C3 1 0.77034689 0.37402203 0.23129048 1\n C C4 1 0.57872922 0.97099063 0.04124523 1\n C C5 1 0.26291067 0.81216394 0.73297696 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42618000\n_cell_length_b 4.21900000\n_cell_length_c 4.87036000\n_cell_angle_alpha 90.73326000\n_cell_angle_beta 119.92569000\n_cell_angle_gamma 89.97474000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.20193215\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85775229 0.14458996 1.06024965 1\n C C1 1 0.50495389 -0.00262132 0.20693191 1\n C C2 1 0.44285806 0.64891563 0.14652701 1\n C C3 1 0.85405064 0.05893761 0.55575860 1\n C C4 1 -0.08454526 0.49284408 0.11928645 1\n C C5 1 0.51074499 1.08536163 0.71191937 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43264000\n_cell_length_b 5.65598000\n_cell_length_c 4.81812000\n_cell_angle_alpha 67.13288000\n_cell_angle_beta 78.50609000\n_cell_angle_gamma 75.03094000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.64423978\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03320731 0.85159161 0.21485505 1\n C C1 1 0.11690893 0.26966890 0.62934377 1\n C C2 1 0.61709219 0.76774268 0.13151240 1\n C C3 1 0.28344385 0.10167652 0.46452164 1\n C C4 1 0.53311390 0.35391158 0.71193048 1\n C C5 1 0.36672469 0.52052278 0.87837519 1\n C C6 1 0.86725993 0.01752557 0.38177368 1\n C C7 1 0.78288030 0.60433077 -0.03828021 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45004000\n_cell_length_b 5.15218000\n_cell_length_c 10.21432000\n_cell_angle_alpha 114.89488000\n_cell_angle_beta 90.00462000\n_cell_angle_gamma 90.00354000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 116.95533361\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03536674 0.58886992 0.80573610 1\n C C1 1 0.03440400 0.80082359 0.45947061 1\n C C2 1 0.53435115 0.10655680 0.07873681 1\n C C3 1 0.03503334 0.58183031 0.19023765 1\n C C4 1 0.53497145 1.07301367 0.69479293 1\n C C5 1 0.53514563 0.79917500 0.69382156 1\n C C6 1 1.03473359 1.09004988 0.60888594 1\n C C7 1 0.03561054 0.45236377 0.90718986 1\n C C8 1 1.03489615 0.86094754 0.32614717 1\n C C9 1 0.53454627 0.32499412 0.31864281 1\n C C10 1 0.03442166 -0.02415195 0.11961573 1\n C C11 1 0.53538068 0.76904661 0.82469327 1\n C C12 1 1.03455980 0.39227966 0.62213822 1\n C C13 1 0.03459982 0.12274298 0.29000510 1\n C C14 1 0.53441367 0.51991335 0.57998158 1\n C C15 1 0.53547869 0.26101618 0.86454900 1\n C C16 1 0.03519315 0.66236709 0.06531390 1\n C C17 1 0.53530487 0.05864570 -0.06884587 1\n C C18 1 -0.46514723 0.40571237 0.19135615 1\n C C19 1 0.53447043 0.60073221 0.45220967 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49008000\n_cell_length_b 3.59030000\n_cell_length_c 5.36375000\n_cell_angle_alpha 53.95086000\n_cell_angle_beta 90.00249000\n_cell_angle_gamma 110.33591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00667394\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21071236 0.76957698 0.23747944 1\n C C1 1 0.49967866 0.34598198 1.03123645 1\n C C2 1 0.10647955 0.55818951 0.81909289 1\n C C3 1 0.58076343 0.50989994 0.23732868 1\n C C4 1 0.39341092 0.13390708 0.61309205 1\n C C5 1 1.02420798 0.39369272 0.61297389 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43196000\n_cell_length_b 5.28411000\n_cell_length_c 5.14046000\n_cell_angle_alpha 65.90946000\n_cell_angle_beta 77.38139000\n_cell_angle_gamma 75.58402000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.89411880\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74442498 0.83721746 0.38282071 1\n C C1 1 0.49437541 0.58543337 1.13518408 1\n C C2 1 0.16112424 0.92133976 0.46493814 1\n C C3 1 -0.00603040 1.08901414 0.63091149 1\n C C4 1 0.41062498 1.17175878 0.71478345 1\n C C5 1 0.24378130 0.33706366 0.88361683 1\n C C6 1 0.66057922 0.41957870 -0.03236559 1\n C C7 1 0.91114367 0.66956753 0.21728648 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20775000\n_cell_length_b 4.02763000\n_cell_length_c 4.86018000\n_cell_angle_alpha 51.91625000\n_cell_angle_beta 89.99381000\n_cell_angle_gamma 67.93512000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.97459887\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04887785 0.05679774 1.02930361 1\n C C1 1 0.21721015 0.05119461 0.78208099 1\n C C2 1 0.21721015 1.05119461 0.28208099 1\n C C3 1 0.04887785 1.05679774 0.52930361 1\n C C4 1 0.71721015 1.05119461 0.53208099 1\n C C5 1 0.54887785 0.05679774 0.27930361 1\n C C6 1 0.54887785 1.05679774 0.77930361 1\n C C7 1 0.71721015 0.05119461 0.03208099 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44453000\n_cell_length_b 3.62942000\n_cell_length_c 10.23899000\n_cell_angle_alpha 93.33343000\n_cell_angle_beta 103.67459000\n_cell_angle_gamma 70.48267000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 83.17426678\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67349007 0.69200598 0.26520796 1\n C C1 1 0.14208382 0.62334543 0.20101688 1\n C C2 1 0.90179216 0.03950912 0.67073328 1\n C C3 1 -0.00051872 0.13174861 0.81419656 1\n C C4 1 0.44687697 0.84330616 0.61693442 1\n C C5 1 0.04970128 0.39452330 0.49474958 1\n C C6 1 0.52930700 0.20233493 0.87806849 1\n C C7 1 0.62520577 0.42356150 0.58483177 1\n C C8 1 0.22888408 0.97502275 0.46293197 1\n C C9 1 1.09500403 0.45843920 1.07042191 1\n C C10 1 0.57549656 0.36892257 1.00851272 1\n C C11 1 0.77424269 0.77856536 0.40906836 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51970000\n_cell_length_b 6.38714000\n_cell_length_c 6.84205000\n_cell_angle_alpha 73.42682000\n_cell_angle_beta 89.99501000\n_cell_angle_gamma 78.61167000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.27580307\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46898719 0.76310612 0.94891034 1\n C C1 1 0.16371263 0.43847527 0.29580017 1\n C C2 1 0.59062594 0.50969870 0.97161603 1\n C C3 1 0.84708532 0.29224297 0.61971720 1\n C C4 1 -0.04107397 0.49589968 0.66196468 1\n C C5 1 0.67473411 0.38323244 0.19298157 1\n C C6 1 0.45043805 0.79848523 0.17375924 1\n C C7 1 1.00695271 0.68641430 0.29436028 1\n C C8 1 0.11697004 0.43523437 0.88224154 1\n C C9 1 0.31950619 0.05200525 0.15048102 1\n C C10 1 0.99633353 0.68552916 0.52162381 1\n C C11 1 0.27797522 0.17828766 -0.07102027 1\n C C12 1 0.90173596 0.87592053 0.59968638 1\n C C13 1 0.35898591 0.26911670 0.50264827 1\n C C14 1 0.67493732 0.06583284 0.45958879 1\n C C15 1 0.82261680 0.12299244 0.82588957 1\n C C16 1 0.91349517 0.87507359 0.82744445 1\n C C17 1 0.77135399 0.12662074 0.23926174 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44579000\n_cell_length_b 3.37776000\n_cell_length_c 8.74569000\n_cell_angle_alpha 56.99865000\n_cell_angle_beta 98.01680000\n_cell_angle_gamma 111.12016000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.37421246\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21821811 0.59852558 0.31337321 1\n C C1 1 0.15779797 0.10325767 0.69551306 1\n C C2 1 0.44659320 0.19127751 0.17362584 1\n C C3 1 0.70813186 0.29175828 0.60499411 1\n C C4 1 0.50991120 0.52512189 -0.02444877 1\n C C5 1 0.78003809 0.62881825 0.40697697 1\n C C6 1 0.00889578 0.22139625 0.26727904 1\n C C7 1 1.05712278 0.71109297 0.88476984 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48176000\n_cell_length_b 5.57110000\n_cell_length_c 3.66688000\n_cell_angle_alpha 70.74360000\n_cell_angle_beta 89.99111000\n_cell_angle_gamma 102.86785000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.51083920\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11532998 1.15039067 0.08189917 1\n C C1 1 0.61532520 0.15042721 0.32009950 1\n C C2 1 0.77043130 0.45947284 0.16625051 1\n C C3 1 0.37968215 0.68357158 0.55402326 1\n C C4 1 0.87977412 0.68376420 0.31493490 1\n C C5 1 0.27044811 0.45963386 0.92723430 1\n C C6 1 0.50164175 -0.07404973 0.69405846 1\n C C7 1 1.00162969 0.92587605 -0.06743271 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48320000\n_cell_length_b 4.26779000\n_cell_length_c 5.56885000\n_cell_angle_alpha 75.02054000\n_cell_angle_beta 89.99034000\n_cell_angle_gamma 90.00435000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.01192655\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18046244 0.47616881 1.01960646 1\n C C1 1 0.68061282 0.45178722 0.62549722 1\n C C2 1 0.18082198 0.11009299 0.08769395 1\n C C3 1 0.18054605 0.57147462 0.73626908 1\n C C4 1 0.68085331 -0.00990052 0.97703213 1\n C C5 1 0.68062216 1.08592833 0.69333724 1\n C C6 1 0.68065090 0.67326834 0.35959699 1\n C C7 1 1.18066782 0.93939083 0.61262852 1\n C C8 1 0.68042404 0.62257565 0.10033303 1\n C C9 1 0.18073868 0.88978113 0.35318419 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31129000\n_cell_length_b 4.66751000\n_cell_length_c 4.66982000\n_cell_angle_alpha 76.40711000\n_cell_angle_beta 72.86951000\n_cell_angle_gamma 111.67215000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.09915938\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32773218 0.15606783 0.88878073 1\n C C1 1 0.33104440 0.31802319 0.59697928 1\n C C2 1 0.32488813 0.86993135 0.36147154 1\n C C3 1 0.33375801 0.63058572 0.60133301 1\n C C4 1 0.33354330 0.63593317 -0.08753804 1\n C C5 1 0.33091396 0.34444924 0.07402381 1\n C C6 1 0.32760174 0.18249388 0.36582526 1\n C C7 1 0.32510284 0.86458391 0.05034258 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47876000\n_cell_length_b 4.73872000\n_cell_length_c 6.07733000\n_cell_angle_alpha 79.05467000\n_cell_angle_beta 82.49471000\n_cell_angle_gamma 93.95985000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.16242253\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.13375105 0.94455763 0.15029990 1\n C C1 1 0.31106378 0.76288626 0.54629804 1\n C C2 1 0.39197807 0.30036356 0.29060834 1\n C C3 1 0.22820502 0.84421377 0.79625415 1\n C C4 1 0.74469964 0.28352942 0.64453582 1\n C C5 1 0.69534611 0.73654236 0.94658284 1\n C C6 1 0.80079060 0.59169454 0.54059429 1\n C C7 1 0.34931185 -0.03016425 0.29884331 1\n C C8 1 0.54692317 0.40596702 1.03852056 1\n C C9 1 0.04283076 0.24319634 0.98514348 1\n C C10 1 0.19290016 1.16656199 0.75877214 1\n C C11 1 0.85558439 0.37240066 0.39761614 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45256000\n_cell_length_b 5.14814000\n_cell_length_c 8.20908000\n_cell_angle_alpha 75.94352000\n_cell_angle_beta 89.98372000\n_cell_angle_gamma 89.83520000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 100.54484195\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00565362 0.54365569 0.63806005 1\n C C1 1 0.50469928 0.64559216 0.37189469 1\n C C2 1 0.49986348 0.70666165 0.20067870 1\n C C3 1 0.98435600 0.95576289 0.82384567 1\n C C4 1 0.00552515 0.60586831 0.46172228 1\n C C5 1 0.48023117 1.08678006 0.55284576 1\n C C6 1 0.48655090 0.21529194 0.01700640 1\n C C7 1 0.47944313 0.20970668 0.20086149 1\n C C8 1 0.48293158 0.01691573 0.72422747 1\n C C9 1 0.99804200 0.76666586 0.10110493 1\n C C10 1 -0.02022473 0.18338196 0.28684365 1\n C C11 1 0.50598972 0.51480823 0.72405834 1\n C C12 1 0.99420146 0.65906583 -0.06120604 1\n C C13 1 0.49569844 0.50661900 -0.09179030 1\n C C14 1 -0.02036462 1.12771784 0.46298689 1\n C C15 1 0.98781113 0.06292667 0.98647073 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47532000\n_cell_length_b 4.18478000\n_cell_length_c 4.79386000\n_cell_angle_alpha 64.12462000\n_cell_angle_beta 89.99878000\n_cell_angle_gamma 90.00031000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.67956733\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79513424 0.10855478 0.05809638 1\n C C1 1 0.29512220 0.68511606 0.90321720 1\n C C2 1 0.29539303 0.35196992 0.56915880 1\n C C3 1 0.79541733 0.55981261 0.41462463 1\n C C4 1 0.29515422 0.31614624 0.90277374 1\n C C5 1 0.79512708 0.73742902 0.05846474 1\n C C6 1 0.29537024 -0.01803492 0.56981866 1\n C C7 1 0.79538155 0.92939510 0.41497584 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43221000\n_cell_length_b 7.75640000\n_cell_length_c 6.41739000\n_cell_angle_alpha 132.55901000\n_cell_angle_beta 100.86677000\n_cell_angle_gamma 88.07711000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.83352582\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05484839 0.89345456 0.83771341 1\n C C1 1 1.11371902 0.39321192 0.79728548 1\n C C2 1 0.49973191 -0.10529129 0.72741646 1\n C C3 1 0.22415560 0.39456115 1.02041513 1\n C C4 1 0.72136912 0.89435458 0.17152964 1\n C C5 1 -0.44250556 0.39372813 0.68668365 1\n C C6 1 -0.16697652 -0.10408716 0.39491604 1\n C C7 1 0.44642867 0.39228293 0.46346340 1\n C C8 1 -0.10974134 0.39338777 0.35290520 1\n C C9 1 0.38815456 0.89434776 0.50501176 1\n C C10 1 1.16621161 0.89500636 1.06112183 1\n C C11 1 0.78017114 0.39313161 0.13067722 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50019000\n_cell_length_b 4.26077000\n_cell_length_c 5.44716000\n_cell_angle_alpha 108.97825000\n_cell_angle_beta 117.28500000\n_cell_angle_gamma 89.99478000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.99515570\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58877682 0.72468619 0.96792719 1\n C C1 1 0.25902371 0.56118983 0.63915312 1\n C C2 1 0.29396603 0.31099963 0.17315430 1\n C C3 1 0.76849628 0.49506082 0.14707435 1\n C C4 1 0.63265162 0.35634792 0.51310722 1\n C C5 1 1.07906831 0.79055604 0.45943546 1\n C C6 1 0.55220756 0.97465048 0.43282063 1\n C C7 1 0.21367138 0.92939619 0.09317512 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45071000\n_cell_length_b 4.53733000\n_cell_length_c 4.00561000\n_cell_angle_alpha 88.61213000\n_cell_angle_beta 90.03592000\n_cell_angle_gamma 105.66092000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.87417173\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51731461 1.01096565 0.10782902 1\n C C1 1 0.08521276 0.14815001 0.17076338 1\n C C2 1 0.77210396 0.52339930 0.48335775 1\n C C3 1 0.35900354 0.69595817 0.97382329 1\n C C4 1 0.83021320 0.63972495 0.78505622 1\n C C5 1 0.24229183 0.46513502 0.29628704 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43149000\n_cell_length_b 4.67627000\n_cell_length_c 3.92831000\n_cell_angle_alpha 83.80708000\n_cell_angle_beta 89.58779000\n_cell_angle_gamma 105.71166000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.71534295\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47096873 0.80352989 0.08980889 1\n C C1 1 0.35840455 0.57808044 0.87212904 1\n C C2 1 0.69214846 0.24599655 0.53690367 1\n C C3 1 0.13750132 0.13652768 0.42383858 1\n C C4 1 0.80373675 0.46846357 0.75923607 1\n C C5 1 0.02523839 0.91255527 0.20399185 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48150000\n_cell_length_b 4.84307000\n_cell_length_c 3.68954000\n_cell_angle_alpha 122.61956000\n_cell_angle_beta 70.31553000\n_cell_angle_gamma 104.88702000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00564582\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75699220 0.26547263 0.36908189 1\n C C1 1 1.21146745 0.76172509 0.95275850 1\n C C2 1 -0.04430592 0.18986137 0.89585377 1\n C C3 1 0.17876250 0.39639858 0.65665873 1\n C C4 1 0.43618623 0.96824845 0.71327684 1\n C C5 1 0.63295185 0.89259408 0.24034636 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.24996000\n_cell_length_b 3.28468000\n_cell_length_c 3.63294000\n_cell_angle_alpha 75.42197000\n_cell_angle_beta 75.60989000\n_cell_angle_gamma 80.86941000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.16413195\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.19165792 0.28964988 0.92578918 1\n C C1 1 0.07744092 0.23633626 0.54441218 1\n C C2 1 0.43804034 0.87550737 0.54471038 1\n C C3 1 0.49203513 0.60778141 -0.07353289 1\n C C4 1 0.22512849 0.66239750 0.30818775 1\n C C5 1 0.86390774 0.02445578 0.30758120 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51227000\n_cell_length_b 4.18825000\n_cell_length_c 4.18601000\n_cell_angle_alpha 109.75909000\n_cell_angle_beta 107.47828000\n_cell_angle_gamma 107.48725000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.35126337\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34312606 0.63889781 0.91015555 1\n C C1 1 0.01288824 0.30868157 0.57960344 1\n C C2 1 0.49371307 0.59510363 0.25463256 1\n C C3 1 0.86254505 -0.03563869 0.62347678 1\n C C4 1 0.86248876 0.35240863 0.23520264 1\n C C5 1 0.49406552 0.98326096 0.86630443 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46292000\n_cell_length_b 5.08342000\n_cell_length_c 7.04801000\n_cell_angle_alpha 73.69739000\n_cell_angle_beta 79.91649000\n_cell_angle_gamma 89.97657000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.27432223\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18279600 0.49741805 0.18507951 1\n C C1 1 0.89632242 0.28787594 0.74836391 1\n C C2 1 0.59483049 0.79351067 0.36267452 1\n C C3 1 0.84093465 0.74312344 0.87158881 1\n C C4 1 0.94053501 -0.17568383 0.67173982 1\n C C5 1 0.54208815 0.21764523 0.46429238 1\n C C6 1 -0.34226048 0.31189948 0.23253437 1\n C C7 1 0.50069522 0.90172854 0.54998062 1\n C C8 1 0.28190791 0.73301668 -0.01068561 1\n C C9 1 1.01133112 0.34767402 0.52579434 1\n C C10 1 0.09364384 0.62234270 0.36481913 1\n C C11 1 0.25154454 0.02607137 0.04602357 1\n C C12 1 0.69116478 0.04311342 0.16784915 1\n C C13 1 0.34843865 0.22830649 0.84720249 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.88174000\n_cell_length_b 2.43101000\n_cell_length_c 4.67996000\n_cell_angle_alpha 75.91795000\n_cell_angle_beta 96.72334000\n_cell_angle_gamma 91.33229000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.54030063\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73116011 0.31931481 0.09675337 1\n C C1 1 0.39741324 0.65282375 0.42968430 1\n C C2 1 0.28386488 0.09964888 0.53877021 1\n C C3 1 0.61833586 0.76606693 0.20612340 1\n C C4 1 1.06596778 -0.01433075 0.76419300 1\n C C5 1 0.95219853 0.43255029 0.87317742 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44883000\n_cell_length_b 5.60552000\n_cell_length_c 3.41033000\n_cell_angle_alpha 111.57190000\n_cell_angle_beta 110.70250000\n_cell_angle_gamma 77.74483000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.54082523\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35414278 1.06471304 -0.03177067 1\n C C1 1 0.22056231 0.59814197 0.23960277 1\n C C2 1 0.59158031 0.00875222 0.38249122 1\n C C3 1 0.20000165 0.87465412 0.47074650 1\n C C4 1 0.71648369 0.47452992 1.10736107 1\n C C5 1 0.74389847 0.19793962 0.87808260 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43936000\n_cell_length_b 4.68890000\n_cell_length_c 5.19531000\n_cell_angle_alpha 56.35602000\n_cell_angle_beta 90.01183000\n_cell_angle_gamma 74.93540000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.99488295\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38253444 0.57354083 0.88034794 1\n C C1 1 0.87832225 0.58134140 0.44789354 1\n C C2 1 0.32646540 0.68577235 0.55647542 1\n C C3 1 0.72447817 0.88770864 0.08744081 1\n C C4 1 0.22410257 0.88797946 -0.09024696 1\n C C5 1 0.12490369 0.09050849 0.35406506 1\n C C6 1 1.06750667 0.20193792 0.56657343 1\n C C7 1 0.57231503 0.19443731 0.14106986 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43260000\n_cell_length_b 3.08152000\n_cell_length_c 6.41766000\n_cell_angle_alpha 108.83830000\n_cell_angle_beta 78.95308000\n_cell_angle_gamma 103.68497000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.88932182\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43377353 0.27631725 0.18807509 1\n C C1 1 0.98873048 1.27654548 1.07670623 1\n C C2 1 0.32192387 0.27592971 0.40991032 1\n C C3 1 0.09989529 0.27383897 0.85445760 1\n C C4 1 0.65488042 0.27341434 0.74257086 1\n C C5 1 0.76657872 0.27345466 0.52072499 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44124000\n_cell_length_b 3.98961000\n_cell_length_c 7.78321000\n_cell_angle_alpha 114.98289000\n_cell_angle_beta 108.28415000\n_cell_angle_gamma 90.05436000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 64.45430595\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32537137 0.12499376 0.95134846 1\n C C1 1 0.78465425 0.27798963 0.91017695 1\n C C2 1 0.14001029 0.81015136 0.26836869 1\n C C3 1 0.56076685 0.16715945 0.68853944 1\n C C4 1 0.92203120 0.70371129 0.04731630 1\n C C5 1 0.95944382 0.08228481 0.58686275 1\n C C6 1 0.74184805 0.89194881 0.37037766 1\n C C7 1 0.38303376 0.85947939 0.00823256 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52426000\n_cell_length_b 4.87569000\n_cell_length_c 4.74826000\n_cell_angle_alpha 66.82419000\n_cell_angle_beta 112.27525000\n_cell_angle_gamma 116.66785000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.52817116\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35979861 -0.02505598 -0.08913502 1\n C C1 1 0.50687404 0.79502451 0.26043277 1\n C C2 1 0.64847922 0.88136514 0.75531532 1\n C C3 1 0.73023884 0.31952816 0.24043998 1\n C C4 1 0.63441959 0.34224250 0.89673366 1\n C C5 1 0.19105318 0.52226725 0.73556824 1\n C C6 1 0.93013975 0.58847398 0.36974449 1\n C C7 1 0.68061947 0.03182723 0.42494366 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46931000\n_cell_length_b 6.64089000\n_cell_length_c 7.18358000\n_cell_angle_alpha 121.71823000\n_cell_angle_beta 89.93393000\n_cell_angle_gamma 123.99942000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 75.57397608\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87403980 0.87092866 0.93214664 1\n C C1 1 0.75401799 1.12191808 0.68958479 1\n C C2 1 0.43553851 0.24409003 0.03600493 1\n C C3 1 0.36296158 0.19456563 0.80815188 1\n C C4 1 0.69702682 0.75196203 0.28540836 1\n C C5 1 1.16538234 0.73205351 0.79166340 1\n C C6 1 0.90832953 0.56107633 0.55397956 1\n C C7 1 0.19284490 0.41592355 0.18770066 1\n C C8 1 0.20827897 0.42733816 0.41006665 1\n C C9 1 0.48506279 0.94385753 0.42755889 1\n C C10 1 0.70381213 0.09020848 0.30213677 1\n C C11 1 -0.05684614 0.91647720 0.16072118 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.33263000\n_cell_length_b 4.14436000\n_cell_length_c 4.14466000\n_cell_angle_alpha 96.15549000\n_cell_angle_beta 117.31821000\n_cell_angle_gamma 113.26015000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.82727461\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78056136 0.23255780 0.35610152 1\n C C1 1 1.15606184 0.21349567 0.42561889 1\n C C2 1 0.63865061 0.87019451 0.78818531 1\n C C3 1 -0.09439750 0.22693278 -0.23890329 1\n C C4 1 0.65616332 0.51326858 0.22548164 1\n C C5 1 0.28088309 0.20762203 0.83052088 1\n C C6 1 0.92235111 0.80722950 0.13470682 1\n C C7 1 0.13855448 0.63269738 0.05116566 1\n C C8 1 0.42238640 0.57025234 0.39784064 1\n C C9 1 0.40552928 0.92723960 -0.03865495 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44901000\n_cell_length_b 6.21693000\n_cell_length_c 5.23054000\n_cell_angle_alpha 62.05429000\n_cell_angle_beta 89.99105000\n_cell_angle_gamma 66.80250000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.97243826\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33128528 0.40130472 0.82291489 1\n C C1 1 -0.43678792 1.16870895 0.14652642 1\n C C2 1 0.44592115 0.28851036 0.62196173 1\n C C3 1 0.99628005 0.23691014 0.53189946 1\n C C4 1 0.98850235 0.74316226 0.05135687 1\n C C5 1 0.10631207 0.12632836 0.33297774 1\n C C6 1 0.65295083 0.57942278 0.75989646 1\n C C7 1 0.87863913 0.85396251 0.24989703 1\n C C8 1 0.42056609 0.81214173 0.43614627 1\n C C9 1 0.54156367 0.69123238 0.96144963 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46969000\n_cell_length_b 3.23416000\n_cell_length_c 5.18806000\n_cell_angle_alpha 89.36640000\n_cell_angle_beta 89.99915000\n_cell_angle_gamma 112.48154000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.28697702\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23305337 0.80535092 0.20973545 1\n C C1 1 0.23861015 0.81678770 0.77161366 1\n C C2 1 1.05641724 0.44994779 0.98989149 1\n C C3 1 0.41819292 0.17236306 -0.01045906 1\n C C4 1 0.73262498 0.80518841 0.36250415 1\n C C5 1 0.73832653 0.81675362 0.61878961 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48767000\n_cell_length_b 4.30373000\n_cell_length_c 5.55974000\n_cell_angle_alpha 82.57657000\n_cell_angle_beta 102.92970000\n_cell_angle_gamma 73.21129000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.33045624\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41619883 0.69161981 0.56991383 1\n C C1 1 0.61701081 -0.10811170 0.16911131 1\n C C2 1 0.16696642 -0.05819972 0.31910386 1\n C C3 1 0.76803728 0.54144358 0.12015558 1\n C C4 1 0.56586375 0.34221530 0.51929026 1\n C C5 1 0.36608457 0.14218552 0.91874671 1\n C C6 1 0.21708406 0.49150274 0.97019543 1\n C C7 1 -0.03393456 0.74170403 0.71985120 1\n C C8 1 1.01749170 0.29171181 0.36956614 1\n C C9 1 0.81504483 0.09245133 0.76869479 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47827000\n_cell_length_b 2.47764000\n_cell_length_c 6.31115000\n_cell_angle_alpha 101.32165000\n_cell_angle_beta 89.97979000\n_cell_angle_gamma 120.02352000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68007634\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67469449 0.97583449 0.90633840 1\n C C1 1 0.14530154 -0.08018394 0.32083797 1\n C C2 1 0.36920247 0.36525973 -0.01045486 1\n C C3 1 0.45168278 0.53100762 0.23713027 1\n C C4 1 0.59040517 0.80771490 0.65550307 1\n C C5 1 0.22861916 0.08555880 0.57185065 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.21278000\n_cell_length_b 3.51437000\n_cell_length_c 7.34074000\n_cell_angle_alpha 73.87211000\n_cell_angle_beta 74.87442000\n_cell_angle_gamma 69.10891000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.16721971\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83218167 0.50499657 0.70233355 1\n C C1 1 0.01799180 0.67691782 0.33158809 1\n C C2 1 0.36960290 0.32439688 0.33183305 1\n C C3 1 0.78485861 0.73825520 0.51276418 1\n C C4 1 0.45515023 0.75720410 0.82420851 1\n C C5 1 0.42974688 0.08789727 0.51293020 1\n C C6 1 0.34912345 0.65545523 0.01964339 1\n C C7 1 -0.02825642 0.90957149 0.14227645 1\n C C8 1 0.60117444 0.27925166 0.14271822 1\n C C9 1 0.20133944 0.13410788 0.70240146 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.20188000\n_cell_length_b 4.29865000\n_cell_length_c 4.60615000\n_cell_angle_alpha 80.62447000\n_cell_angle_beta 70.99077000\n_cell_angle_gamma 75.43084000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.78564564\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66582745 0.47155178 0.15271802 1\n C C1 1 0.16354395 0.94890621 0.18130568 1\n C C2 1 0.79336017 0.17962378 0.31311366 1\n C C3 1 0.47958893 0.94330091 0.86756639 1\n C C4 1 0.29164746 0.65702985 0.34113314 1\n C C5 1 1.16097092 0.49510018 0.63054858 1\n C C6 1 0.79624141 0.63350351 0.86314841 1\n C C7 1 0.47655491 0.18473067 0.62599742 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48349000\n_cell_length_b 6.93225000\n_cell_length_c 6.95370000\n_cell_angle_alpha 78.87896000\n_cell_angle_beta 79.69853000\n_cell_angle_gamma 79.70553000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 114.27772722\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20598159 0.23900876 0.12864906 1\n C C1 1 0.63763618 1.06791812 0.43698182 1\n C C2 1 0.51431036 0.10886738 0.64753098 1\n C C3 1 0.02589466 -0.00256449 0.73677344 1\n C C4 1 0.16080869 0.82028127 0.63685746 1\n C C5 1 0.83873950 0.76084197 0.34432675 1\n C C6 1 0.21868122 0.61564345 0.72315155 1\n C C7 1 0.19373154 0.08273437 0.31136677 1\n C C8 1 0.93516738 0.95952672 0.95582571 1\n C C9 1 0.70547464 0.85153058 0.51738954 1\n C C10 1 0.45122979 0.84296335 1.03863879 1\n C C11 1 0.37769867 0.48844203 0.53326117 1\n C C12 1 0.81284971 0.32898793 0.81853615 1\n C C13 1 0.06134508 0.48455627 1.16494167 1\n C C14 1 0.56502060 0.58982316 0.05276157 1\n C C15 1 0.69589172 0.54494480 0.84011262 1\n C C16 1 0.38624381 0.30721445 0.69431871 1\n C C17 1 0.33946868 0.85722309 0.24749802 1\n C C18 1 0.78785301 0.19187531 1.01247927 1\n C C19 1 0.92310326 0.53498926 0.39740463 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45684000\n_cell_length_b 3.66335000\n_cell_length_c 6.45858000\n_cell_angle_alpha 105.75927000\n_cell_angle_beta 101.00385000\n_cell_angle_gamma 70.45528000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.39895268\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78447109 0.06880557 0.19702987 1\n C C1 1 1.01139831 0.66720889 0.24630541 1\n C C2 1 -0.00257878 0.44451169 1.00124111 1\n C C3 1 0.63553511 0.50409217 0.33329689 1\n C C4 1 0.22322154 0.04295981 0.05049314 1\n C C5 1 0.27755854 0.56328837 0.67687813 1\n C C6 1 0.37294835 0.60745321 0.91408566 1\n C C7 1 0.73158024 0.54698819 0.57034510 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47005000\n_cell_length_b 4.29292000\n_cell_length_c 10.51066000\n_cell_angle_alpha 59.80739000\n_cell_angle_beta 106.37685000\n_cell_angle_gamma 95.47289000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.27919758\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58169079 0.79831381 0.78795146 1\n C C1 1 0.09121316 -0.17839718 0.32632656 1\n C C2 1 0.16223417 1.06913618 0.39261409 1\n C C3 1 0.83961332 0.35958367 0.56980103 1\n C C4 1 0.45495120 0.72912725 1.02630420 1\n C C5 1 0.63327277 0.09387548 0.02590693 1\n C C6 1 0.02597913 0.58329706 0.78749381 1\n C C7 1 0.85302856 0.84902344 0.92408414 1\n C C8 1 0.39048105 0.12115660 0.62336304 1\n C C9 1 0.60953070 0.30236437 0.32849866 1\n C C10 1 -0.09838770 0.14464007 0.16187629 1\n C C11 1 1.03189130 0.21368527 0.92380143 1\n C C12 1 0.64185909 0.58319958 0.37986457 1\n C C13 1 0.87382658 0.63998081 0.62149509 1\n C C14 1 0.45896414 0.35950983 0.16252336 1\n C C15 1 0.31972082 0.87308076 0.55738414 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03820000\n_cell_length_b 4.21051000\n_cell_length_c 4.21032000\n_cell_angle_alpha 119.99765000\n_cell_angle_beta 77.67465000\n_cell_angle_gamma 116.03831000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.90950926\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11755267 0.86810360 0.19949596 1\n C C1 1 0.11755267 0.53477027 0.53282929 1\n C C2 1 0.12571526 0.87102580 0.86618734 1\n C C3 1 0.12571526 0.53769247 0.19952068 1\n C C4 1 1.11755267 0.20143693 0.86616262 1\n C C5 1 0.12571526 0.20435913 0.53285401 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.64825000\n_cell_length_b 2.46004000\n_cell_length_c 7.13856000\n_cell_angle_alpha 58.99309000\n_cell_angle_beta 101.45222000\n_cell_angle_gamma 89.68075000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.74385044\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57854210 0.25949124 0.88835446 1\n C C1 1 0.82008217 0.53669630 0.36887484 1\n C C2 1 0.46957859 0.60121016 0.65980196 1\n C C3 1 0.63514271 0.57771499 0.00921073 1\n C C4 1 0.39970470 0.29740623 0.52855930 1\n C C5 1 0.74922953 0.23348878 0.23766760 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47246000\n_cell_length_b 4.19294000\n_cell_length_c 11.24049000\n_cell_angle_alpha 99.02101000\n_cell_angle_beta 115.85313000\n_cell_angle_gamma 90.85659000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.11272835\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28883563 0.73150762 0.20530247 1\n C C1 1 0.29791896 0.56505664 0.79398333 1\n C C2 1 -0.03995704 0.11291497 0.02447717 1\n C C3 1 0.77540941 0.09503793 0.86675943 1\n C C4 1 0.67365356 0.30758005 0.39760274 1\n C C5 1 -0.19193438 0.51665036 0.21306542 1\n C C6 1 0.15194497 0.58209193 0.64617762 1\n C C7 1 0.69239852 0.81065710 0.65120115 1\n C C8 1 0.97861925 0.78276377 0.05829743 1\n C C9 1 0.54656895 0.30370130 0.07511972 1\n C C10 1 0.56191434 -0.04993426 0.34220196 1\n C C11 1 0.10124912 0.47342317 0.36095630 1\n C C12 1 1.14421146 -0.07451899 0.80277864 1\n C C13 1 0.91606861 0.44952757 0.85713880 1\n C C14 1 0.47656799 0.04359146 0.55223206 1\n C C15 1 0.97146157 0.26246466 0.54791565 1\n C C16 1 1.19478237 0.83976992 0.40977863 1\n C C17 1 0.35219781 0.59261121 1.00378358 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49431000\n_cell_length_b 3.42141000\n_cell_length_c 7.21347000\n_cell_angle_alpha 118.33474000\n_cell_angle_beta 99.99456000\n_cell_angle_gamma 68.59911000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.44859888\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33011005 1.13311561 0.09000529 1\n C C1 1 0.91709260 0.06531892 0.19552977 1\n C C2 1 0.72548638 0.83912278 0.59002046 1\n C C3 1 0.72531116 0.60500112 0.35593368 1\n C C4 1 0.13837528 0.67328645 0.25052559 1\n C C5 1 0.33114379 -0.10107932 0.85599142 1\n C C6 1 0.91793275 0.62014731 0.75056415 1\n C C7 1 0.13921728 1.11814262 0.69548123 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46594000\n_cell_length_b 5.94657000\n_cell_length_c 6.85882000\n_cell_angle_alpha 105.49989000\n_cell_angle_beta 110.99993000\n_cell_angle_gamma 77.99225000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 89.77436338\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55735672 0.34176338 0.60528904 1\n C C1 1 0.31900539 0.48348309 0.43819225 1\n C C2 1 0.91763774 0.09362028 0.83744272 1\n C C3 1 0.56591049 0.73221187 0.80596859 1\n C C4 1 0.53700147 0.38194569 0.10000158 1\n C C5 1 0.71282197 0.44099324 0.30954393 1\n C C6 1 -0.07414372 -0.08252130 0.25890547 1\n C C7 1 1.14761316 -0.05220733 0.49681827 1\n C C8 1 0.33397179 0.72678708 0.57262700 1\n C C9 1 0.32515121 -0.09562938 0.15178466 1\n C C10 1 0.68539344 0.08807851 0.60384656 1\n C C11 1 -0.06864575 0.33798174 0.97115201 1\n C C12 1 1.10346047 0.87324500 0.91338430 1\n C C13 1 0.69319714 0.47911764 0.80375252 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47786000\n_cell_length_b 4.28711000\n_cell_length_c 6.31216000\n_cell_angle_alpha 83.49782000\n_cell_angle_beta 101.29265000\n_cell_angle_gamma 89.98261000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.31466300\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03312313 0.77340096 0.84892493 1\n C C1 1 0.86504257 0.49467950 0.51411228 1\n C C2 1 0.07396740 0.42655851 0.93189906 1\n C C3 1 0.57386522 -0.07348004 0.93187892 1\n C C4 1 0.36486475 0.99471274 0.51404685 1\n C C5 1 0.73866638 0.53772211 0.26293485 1\n C C6 1 -0.09389614 0.81415140 0.59812505 1\n C C7 1 0.53328551 0.27337272 0.84900832 1\n C C8 1 0.19765407 0.38557978 0.17917211 1\n C C9 1 0.40635325 0.31412737 0.59821652 1\n C C10 1 0.23874436 0.03775058 0.26287787 1\n C C11 1 0.69774300 0.88554226 0.17915764 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44978000\n_cell_length_b 4.50771000\n_cell_length_c 11.22320000\n_cell_angle_alpha 88.32750000\n_cell_angle_beta 77.47690000\n_cell_angle_gamma 74.27430000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 116.40175786\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72764912 0.12430857 0.26299081 1\n C C1 1 0.00699036 0.16301755 0.46898649 1\n C C2 1 0.37150623 -0.06947469 0.72211535 1\n C C3 1 0.21225521 0.73639161 -0.03100467 1\n C C4 1 1.22757462 0.92686677 0.85994910 1\n C C5 1 0.38045732 0.20506613 0.06759101 1\n C C6 1 1.18897222 0.46575543 0.63785954 1\n C C7 1 0.10875660 0.86485781 0.51635443 1\n C C8 1 0.76040173 0.30115242 0.14125672 1\n C C9 1 0.79456904 0.41776269 0.55385938 1\n C C10 1 0.18239383 0.27109324 0.74068178 1\n C C11 1 0.55457166 0.66816190 0.16228106 1\n C C12 1 0.10148997 0.23501189 0.33669988 1\n C C13 1 0.41156197 0.38376815 0.94744428 1\n C C14 1 1.03755613 0.27208143 0.87702263 1\n C C15 1 0.58811450 0.83919896 0.04343354 1\n C C16 1 -0.06703419 0.76731267 0.23680060 1\n C C17 1 0.99708549 0.81076776 0.65556175 1\n C C18 1 0.73798484 0.68771447 0.47353242 1\n C C19 1 0.91747493 0.57935593 0.34681928 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48094000\n_cell_length_b 3.68851000\n_cell_length_c 4.84116000\n_cell_angle_alpha 68.51585000\n_cell_angle_beta 104.84233000\n_cell_angle_gamma 70.34500000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99525464\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69777510 0.20471878 0.60711421 1\n C C1 1 0.40654302 0.91727992 0.73776834 1\n C C2 1 0.65728830 0.78820677 1.11062820 1\n C C3 1 0.68173123 0.44368615 0.81376374 1\n C C4 1 0.36692410 0.50033123 0.24186013 1\n C C5 1 0.38307695 0.26113755 0.03544029 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45478000\n_cell_length_b 5.12348000\n_cell_length_c 3.78363000\n_cell_angle_alpha 90.01233000\n_cell_angle_beta 90.02287000\n_cell_angle_gamma 89.98141000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.58676854\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84372092 0.20045163 0.38705866 1\n C C1 1 0.34423184 0.02675608 0.38748207 1\n C C2 1 0.34339154 0.56807188 0.58105537 1\n C C3 1 -0.15703265 0.40816055 0.08754883 1\n C C4 1 0.34291753 0.56796050 0.19417760 1\n C C5 1 0.84329363 0.40809256 0.68687107 1\n C C6 1 0.34440424 0.84190170 0.07443568 1\n C C7 1 0.34534674 0.84210320 0.70246021 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42943000\n_cell_length_b 4.15761000\n_cell_length_c 6.39887000\n_cell_angle_alpha 94.93500000\n_cell_angle_beta 100.87618000\n_cell_angle_gamma 89.94540000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 63.22858615\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54988755 0.58082020 0.17245578 1\n C C1 1 0.87167203 0.97899819 0.79418083 1\n C C2 1 0.20660070 1.05798595 0.46745315 1\n C C3 1 0.06197552 0.42813059 0.19432377 1\n C C4 1 1.08707210 0.08462860 0.23408312 1\n C C5 1 0.76152400 0.03342777 0.57344376 1\n C C6 1 0.42591007 0.95834027 0.90013554 1\n C C7 1 0.53733573 -0.07505157 0.13344566 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46725000\n_cell_length_b 3.38347000\n_cell_length_c 5.24656000\n_cell_angle_alpha 89.42666000\n_cell_angle_beta 89.97933000\n_cell_angle_gamma 111.38018000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.78109905\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61489557 0.86515395 0.05910510 1\n C C1 1 0.13642304 0.90896480 -0.06580769 1\n C C2 1 -0.01442517 0.61071954 0.45886820 1\n C C3 1 0.57592063 0.79129343 0.33416212 1\n C C4 1 0.76574378 0.16339920 0.53442921 1\n C C5 1 0.17539798 0.98282532 0.65913529 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43562000\n_cell_length_b 5.51075000\n_cell_length_c 6.23371000\n_cell_angle_alpha 58.62756000\n_cell_angle_beta 91.80897000\n_cell_angle_gamma 79.30032000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.37038195\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27895652 0.07638310 0.67200309 1\n C C1 1 -0.00233795 0.59660169 0.92041243 1\n C C2 1 0.83176736 0.88465475 0.37927974 1\n C C3 1 0.58693075 0.46357536 0.31608264 1\n C C4 1 0.70938947 0.12394770 0.12110495 1\n C C5 1 0.13908634 0.27263007 0.02325994 1\n C C6 1 0.04403239 0.53979424 0.18371961 1\n C C7 1 0.37464214 0.80831194 0.51171663 1\n C C8 1 0.70864366 0.22500865 0.57428636 1\n C C9 1 0.42114173 0.75204700 0.77442032 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44534000\n_cell_length_b 5.73946000\n_cell_length_c 5.91513000\n_cell_angle_alpha 91.70833000\n_cell_angle_beta 101.90803000\n_cell_angle_gamma 77.77377000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 79.38110494\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69702836 0.34634195 0.85913741 1\n C C1 1 0.30913551 0.71203271 0.45794760 1\n C C2 1 0.94206295 0.35333409 0.35798951 1\n C C3 1 0.55353411 0.81653252 1.04480484 1\n C C4 1 0.86621574 0.59397609 0.44768178 1\n C C5 1 0.39919093 0.29500065 0.21670358 1\n C C6 1 0.14581261 0.96156956 0.38159079 1\n C C7 1 0.21398370 0.42722547 -0.02561416 1\n C C8 1 0.13619264 0.15858952 0.55221222 1\n C C9 1 0.68482372 0.19562752 0.68423928 1\n C C10 1 0.09601087 0.69877160 0.00665920 1\n C C11 1 0.54409215 0.01189262 0.22693425 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46996000\n_cell_length_b 2.50175000\n_cell_length_c 7.78820000\n_cell_angle_alpha 90.10409000\n_cell_angle_beta 89.99800000\n_cell_angle_gamma 89.87713000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.12483002\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64529372 0.71910240 0.82417972 1\n C C1 1 0.14528286 0.21886321 0.60453852 1\n C C2 1 0.64530871 0.71785849 0.37531228 1\n C C3 1 1.14528979 0.71953991 0.72225904 1\n C C4 1 0.64536861 -0.28252334 0.00461514 1\n C C5 1 0.14535950 0.71705174 1.09307950 1\n C C6 1 0.64532097 0.21856700 0.49314436 1\n C C7 1 0.14532953 0.71730630 0.27339303 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43264000\n_cell_length_b 4.22471000\n_cell_length_c 4.81658000\n_cell_angle_alpha 97.72614000\n_cell_angle_beta 75.41960000\n_cell_angle_gamma 106.64764000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.79497692\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43701755 0.41423235 0.67794099 1\n C C1 1 1.04018628 0.87653352 -0.06892619 1\n C C2 1 -0.17848703 0.71589220 0.20626627 1\n C C3 1 0.28371244 -0.17704107 0.39021471 1\n C C4 1 0.67204625 0.34889361 0.14270563 1\n C C5 1 0.45388859 0.18796884 0.41818070 1\n C C6 1 0.20990405 1.24114716 0.95901291 1\n C C7 1 1.05622876 0.64989210 0.67168328 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46792000\n_cell_length_b 3.31117000\n_cell_length_c 9.68007000\n_cell_angle_alpha 83.77219000\n_cell_angle_beta 101.82181000\n_cell_angle_gamma 73.05382000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.85814443\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06233088 0.78812350 0.30206354 1\n C C1 1 0.74431976 0.20952265 0.19428445 1\n C C2 1 1.16079259 0.24703880 0.10792533 1\n C C3 1 0.64314214 0.51591985 0.30163590 1\n C C4 1 0.70899993 0.21133693 0.44650308 1\n C C5 1 0.44612204 0.33730992 0.88053014 1\n C C6 1 0.50696974 0.04273108 0.76081607 1\n C C7 1 1.13765156 0.76394485 0.76060324 1\n C C8 1 1.20433131 0.46662738 0.64472482 1\n C C9 1 0.03079778 0.29551935 0.96596907 1\n C C10 1 0.61000059 0.51759752 0.55235646 1\n C C11 1 0.29310117 0.93770996 0.44669851 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47484000\n_cell_length_b 3.72241000\n_cell_length_c 4.24862000\n_cell_angle_alpha 63.99919000\n_cell_angle_beta 89.99113000\n_cell_angle_gamma 90.00810000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17842550\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97984836 0.57479985 0.55375678 1\n C C1 1 -0.01985279 0.98263074 0.55401134 1\n C C2 1 0.48010092 0.18644888 0.33083083 1\n C C3 1 0.98001507 0.13977217 0.83173880 1\n C C4 1 0.47993760 0.59420336 0.33103675 1\n C C5 1 0.48001424 0.02912711 0.05309131 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45832000\n_cell_length_b 3.39623000\n_cell_length_c 5.93711000\n_cell_angle_alpha 117.01236000\n_cell_angle_beta 78.14520000\n_cell_angle_gamma 111.10957000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.14568499\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94316940 0.94660918 0.18975050 1\n C C1 1 0.39730032 0.26812050 0.59247106 1\n C C2 1 0.96726767 0.72864162 0.91404586 1\n C C3 1 0.56581915 0.80014780 0.78599709 1\n C C4 1 0.79731786 0.19527394 0.72011762 1\n C C5 1 0.43392320 0.05539295 0.31654497 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48717000\n_cell_length_b 3.51761000\n_cell_length_c 5.56194000\n_cell_angle_alpha 71.52941000\n_cell_angle_beta 47.85803000\n_cell_angle_gamma 89.97785000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62779893\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62121871 0.89565121 0.23334405 1\n C C1 1 0.12117079 0.81205675 -0.09994952 1\n C C2 1 0.62121871 0.56231788 0.90001072 1\n C C3 1 0.62121871 0.22898455 0.56667739 1\n C C4 1 0.12117079 0.14539009 0.23338381 1\n C C5 1 0.12117079 0.47872342 0.56671715 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48521000\n_cell_length_b 5.64524000\n_cell_length_c 5.69829000\n_cell_angle_alpha 60.25912000\n_cell_angle_beta 64.12922000\n_cell_angle_gamma 89.99951000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.01263917\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52665767 -0.09693331 0.13610936 1\n C C1 1 0.41374235 0.94536565 0.74809166 1\n C C2 1 0.42402658 0.21750560 0.23882861 1\n C C3 1 0.72546480 0.79354355 0.93617469 1\n C C4 1 0.74364317 0.03098853 0.41861709 1\n C C5 1 0.41383352 0.24874016 0.74805908 1\n C C6 1 -0.27440001 0.21257706 0.93615462 1\n C C7 1 0.42434502 0.48598273 0.23839203 1\n C C8 1 0.74430744 0.49263274 0.41798755 1\n C C9 1 -0.16924414 0.80494288 0.33171140 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43878000\n_cell_length_b 4.23008000\n_cell_length_c 6.52921000\n_cell_angle_alpha 89.72179000\n_cell_angle_beta 79.22173000\n_cell_angle_gamma 90.00061000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.16775933\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60544033 0.26347655 0.22653091 1\n C C1 1 0.11271288 0.10636680 0.21159954 1\n C C2 1 0.56511377 0.60229779 0.29228200 1\n C C3 1 1.22397051 0.71351876 -0.03276064 1\n C C4 1 0.88899638 0.10500331 0.61681726 1\n C C5 1 0.11328058 0.75590210 0.19808854 1\n C C6 1 0.39405992 0.26267213 0.60629193 1\n C C7 1 -0.11312774 0.75489690 0.63276709 1\n C C8 1 0.77628417 0.71317293 0.86299900 1\n C C9 1 0.43439861 0.60172302 0.54007377 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30947000\n_cell_length_b 5.26752000\n_cell_length_c 5.99068000\n_cell_angle_alpha 120.47472000\n_cell_angle_beta 123.58782000\n_cell_angle_gamma 85.35764000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.02215105\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96939189 0.86763816 0.64678439 1\n C C1 1 0.12657255 0.82907696 0.20342741 1\n C C2 1 0.48823042 0.38619204 0.16528009 1\n C C3 1 1.06022088 0.18154636 0.84969734 1\n C C4 1 0.50666066 0.70071909 0.33238969 1\n C C5 1 -0.05481314 0.35767240 0.37850029 1\n C C6 1 0.24270996 0.65375133 0.67516332 1\n C C7 1 0.21791118 0.14311917 0.40593681 1\n C C8 1 0.69869882 0.62438864 -0.11187150 1\n C C9 1 0.68043648 0.30992055 0.72049446 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34127000\n_cell_length_b 3.29697000\n_cell_length_c 7.65948000\n_cell_angle_alpha 102.50573000\n_cell_angle_beta 91.01310000\n_cell_angle_gamma 85.82435000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.15661442\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20443172 0.02260154 0.52554950 1\n C C1 1 0.60411347 1.02952451 1.04996161 1\n C C2 1 0.47363001 0.34766261 0.63105651 1\n C C3 1 0.62972159 1.00857761 0.24154742 1\n C C4 1 -0.02669170 0.65028190 0.24145593 1\n C C5 1 0.84781481 0.37980789 0.52959503 1\n C C6 1 0.34859224 0.78263283 0.34012280 1\n C C7 1 0.58678425 0.29828491 0.81414471 1\n C C8 1 0.28570658 0.16357698 0.93625593 1\n C C9 1 0.78625934 0.65830309 0.92787139 1\n C C10 1 0.12515332 0.70205621 0.63129163 1\n C C11 1 0.98533897 -0.09456946 0.81443680 1\n C C12 1 0.70439255 0.43350975 0.34800641 1\n C C13 1 0.97022006 0.41295983 1.05107513 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47856000\n_cell_length_b 2.47840000\n_cell_length_c 6.31244000\n_cell_angle_alpha 89.99235000\n_cell_angle_beta 78.66272000\n_cell_angle_gamma 59.96080000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.69175250\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77200583 1.13091539 0.03941937 1\n C C1 1 0.66165157 0.68709111 0.70403813 1\n C C2 1 0.21680824 0.90717673 0.37342298 1\n C C3 1 1.05097925 -0.00841035 0.62055636 1\n C C4 1 0.49432947 0.77067295 0.95517982 1\n C C5 1 0.60589323 0.21245406 0.29039344 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44486000\n_cell_length_b 4.83202000\n_cell_length_c 3.47894000\n_cell_angle_alpha 82.10556000\n_cell_angle_beta 116.57600000\n_cell_angle_gamma 122.47357000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.28465614\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05392379 0.59408496 0.62902791 1\n C C1 1 0.84336561 0.78458064 0.41423324 1\n C C2 1 0.99810309 0.09596038 0.57077497 1\n C C3 1 0.78784179 0.28667486 0.35591353 1\n C C4 1 0.43801575 0.59396523 0.01312690 1\n C C5 1 0.40390137 0.28667733 -0.02819385 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47816000\n_cell_length_b 2.47762000\n_cell_length_c 6.31158000\n_cell_angle_alpha 78.67800000\n_cell_angle_beta 78.66804000\n_cell_angle_gamma 59.98572000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68176836\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89338975 0.27784753 0.65407735 1\n C C1 1 0.19979913 0.58275753 0.73740513 1\n C C2 1 0.33905859 0.72080563 0.31969486 1\n C C3 1 0.42357566 0.80337955 0.06872582 1\n C C4 1 0.11817635 0.49841380 -0.01495298 1\n C C5 1 -0.02293677 0.36073425 0.40322302 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42360000\n_cell_length_b 4.19394000\n_cell_length_c 5.79596000\n_cell_angle_alpha 133.69120000\n_cell_angle_beta 90.16551000\n_cell_angle_gamma 89.86346000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.59797524\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00500569 0.56529857 0.96555188 1\n C C1 1 -0.00556023 0.97198394 1.02638351 1\n C C2 1 0.49624856 -0.02918116 0.46528415 1\n C C3 1 0.49573845 0.56538899 0.11875346 1\n C C4 1 0.49424147 0.15888424 0.05904004 1\n C C5 1 0.99630164 0.15875701 0.61929986 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47387000\n_cell_length_b 4.11770000\n_cell_length_c 4.27962000\n_cell_angle_alpha 89.99699000\n_cell_angle_beta 89.99915000\n_cell_angle_gamma 90.00500000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.59501010\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83791643 0.89817641 0.17313677 1\n C C1 1 0.33659242 0.52411074 0.67315885 1\n C C2 1 -0.16267072 0.02410603 0.50646887 1\n C C3 1 0.33786140 1.02400884 0.00647714 1\n C C4 1 0.33691995 0.39818498 1.00662461 1\n C C5 1 0.83657329 0.39830114 0.50663013 1\n C C6 1 0.33737476 0.89831784 0.67315580 1\n C C7 1 0.83693996 0.52399951 0.17315513 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45813000\n_cell_length_b 3.62682000\n_cell_length_c 10.17066000\n_cell_angle_alpha 90.01154000\n_cell_angle_beta 85.01203000\n_cell_angle_gamma 117.71207000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 79.88554435\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42987097 0.64816952 0.52854329 1\n C C1 1 0.45902644 -0.24379492 0.65602391 1\n C C2 1 0.21369910 0.54601899 0.21545432 1\n C C3 1 0.84402276 0.29567808 0.34983401 1\n C C4 1 0.03690532 -0.03013682 0.84762872 1\n C C5 1 0.90980638 0.81584820 0.21796888 1\n C C6 1 0.95037637 0.63591370 0.45003649 1\n C C7 1 0.56592369 1.04648783 0.91324200 1\n C C8 1 0.10833146 0.20597808 0.11534485 1\n C C9 1 1.14693543 1.02474245 0.34803292 1\n C C10 1 0.62300271 0.18548841 0.03734841 1\n C C11 1 -0.02033112 -0.17788293 0.72356220 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47998000\n_cell_length_b 3.68788000\n_cell_length_c 4.21825000\n_cell_angle_alpha 75.20017000\n_cell_angle_beta 89.95432000\n_cell_angle_gamma 70.36354000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97689655\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88822028 0.10761217 0.89653253 1\n C C1 1 0.66738364 0.55299797 0.68999282 1\n C C2 1 0.40741002 1.06965536 0.11830759 1\n C C3 1 0.63065131 0.62418459 0.32476254 1\n C C4 1 0.08931504 0.70938131 0.82125500 1\n C C5 1 0.20921012 0.46724969 0.19375403 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.19629000\n_cell_length_b 4.27046000\n_cell_length_c 3.69527000\n_cell_angle_alpha 83.39806000\n_cell_angle_beta 68.80653000\n_cell_angle_gamma 60.49713000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.57241379\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97679979 0.41899291 0.37984658 1\n C C1 1 -0.01438074 0.33743371 0.77872136 1\n C C2 1 0.25435609 0.34041843 -0.03479250 1\n C C3 1 0.59981365 0.58322432 0.40898146 1\n C C4 1 0.95529797 0.00018059 0.86289979 1\n C C5 1 0.58978514 0.66535649 1.01096858 1\n C C6 1 0.62219830 1.00174542 -0.07640246 1\n C C7 1 0.32248640 0.66184833 0.82317590 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.17221000\n_cell_length_b 3.86265000\n_cell_length_c 4.20298000\n_cell_angle_alpha 91.20299000\n_cell_angle_beta 67.90591000\n_cell_angle_gamma 70.88296000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.48962740\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27294291 -0.05244916 0.38447115 1\n C C1 1 0.59064109 0.39220030 0.62238257 1\n C C2 1 0.40129052 0.10911932 0.09423216 1\n C C3 1 0.90721336 0.08089586 0.61856490 1\n C C4 1 0.77835019 0.92210818 0.91048546 1\n C C5 1 0.90605921 0.63282547 0.06965204 1\n C C6 1 0.58990100 0.63507249 0.37934358 1\n C C7 1 0.27399492 0.39581163 0.93251174 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42810000\n_cell_length_b 4.23015000\n_cell_length_c 5.69134000\n_cell_angle_alpha 47.75193000\n_cell_angle_beta 89.88791000\n_cell_angle_gamma 89.88517000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.27218775\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36249331 0.51219358 0.38249918 1\n C C1 1 0.86249632 -0.05724106 0.87363790 1\n C C2 1 0.86262706 0.23324920 0.52206028 1\n C C3 1 0.36236928 0.80264305 0.03096279 1\n C C4 1 0.86241058 0.94334280 0.46057210 1\n C C5 1 0.36255205 0.80355374 0.44312284 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29862000\n_cell_length_b 3.30535000\n_cell_length_c 5.64346000\n_cell_angle_alpha 90.00455000\n_cell_angle_beta 90.05256000\n_cell_angle_gamma 81.60395000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.87168060\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27339167 0.50955849 0.48462050 1\n C C1 1 0.27335736 0.51022721 0.75628292 1\n C C2 1 0.35646121 0.87931475 0.35148201 1\n C C3 1 0.84651914 0.41132680 0.12056944 1\n C C4 1 0.62882888 0.15382076 0.75635442 1\n C C5 1 0.99918523 0.23710839 0.88911449 1\n C C6 1 0.62894533 0.15323176 0.48477199 1\n C C7 1 -0.00097825 0.23624476 0.35153858 1\n C C8 1 0.35664987 0.88014602 0.88915530 1\n C C9 1 0.53220637 0.72647485 0.12060595 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42636000\n_cell_length_b 5.39599000\n_cell_length_c 8.48057000\n_cell_angle_alpha 114.82739000\n_cell_angle_beta 89.97987000\n_cell_angle_gamma 90.01765000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 100.77082098\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96475703 0.49764346 0.20655702 1\n C C1 1 0.96466121 0.97881870 0.44561917 1\n C C2 1 0.46457323 0.59818351 0.46929448 1\n C C3 1 0.46458646 0.79512681 0.09802822 1\n C C4 1 0.46470130 0.26776756 0.94078037 1\n C C5 1 0.46473369 1.09862840 0.44039329 1\n C C6 1 0.46465275 0.75285677 0.66127939 1\n C C7 1 -0.03531469 0.13731850 0.87711289 1\n C C8 1 0.46457250 0.29151786 0.36031653 1\n C C9 1 0.96464826 0.86924315 0.73800339 1\n C C10 1 -0.03534639 0.68877488 0.40345257 1\n C C11 1 0.46483024 0.51925234 0.10747711 1\n C C12 1 -0.03537321 0.23740092 0.24116487 1\n C C13 1 -0.03538248 0.93533015 0.11958010 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47833000\n_cell_length_b 2.47761000\n_cell_length_c 6.31100000\n_cell_angle_alpha 78.68142000\n_cell_angle_beta 89.99028000\n_cell_angle_gamma 59.97197000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67777758\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27164726 0.24015842 0.45554062 1\n C C1 1 0.04528683 0.68791737 0.78645421 1\n C C2 1 0.18937054 0.40666352 1.20439678 1\n C C3 1 0.96477632 0.85176860 0.53918199 1\n C C4 1 0.82715563 0.12973205 0.12029913 1\n C C5 1 0.73988472 0.29903743 0.86938926 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68635000\n_cell_length_b 4.62271000\n_cell_length_c 6.53721000\n_cell_angle_alpha 48.84414000\n_cell_angle_beta 56.19943000\n_cell_angle_gamma 69.52229000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.67531040\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58302500 0.85121843 0.39549071 1\n C C1 1 1.02920340 0.75856372 0.37389163 1\n C C2 1 0.15494375 0.21657306 0.85944209 1\n C C3 1 0.76469372 0.70179849 0.05088900 1\n C C4 1 0.28040358 0.18298942 1.06409400 1\n C C5 1 0.88437705 0.87396758 0.72494024 1\n C C6 1 0.14493880 0.62551155 0.61101789 1\n C C7 1 0.18798516 0.54235038 0.05571727 1\n C C8 1 0.32239954 1.09966193 0.50930410 1\n C C9 1 0.31258452 0.50853431 0.26082439 1\n C C10 1 0.70293382 0.02317960 0.06952578 1\n C C11 1 0.43813606 -0.03345957 0.74643769 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48690000\n_cell_length_b 4.49767000\n_cell_length_c 7.52151000\n_cell_angle_alpha 75.21726000\n_cell_angle_beta 89.99594000\n_cell_angle_gamma 106.04867000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 77.94905360\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24677764 0.59240336 0.11047839 1\n C C1 1 0.63239982 0.36846944 0.39660651 1\n C C2 1 0.76912819 0.63348129 0.84258777 1\n C C3 1 0.07799886 0.25371330 0.06809387 1\n C C4 1 0.85300693 0.80342275 0.64128122 1\n C C5 1 0.02282456 0.14204507 0.68345096 1\n C C6 1 0.94267203 -0.01652597 0.24503794 1\n C C7 1 0.77041403 0.63909574 0.21447083 1\n C C8 1 0.32781364 0.75578448 0.53722892 1\n C C9 1 0.15335697 0.41047630 0.50662596 1\n C C10 1 0.50561119 0.10710907 0.80641184 1\n C C11 1 0.59684228 0.28893626 0.94526397 1\n C C12 1 0.33323809 0.76318976 0.90917470 1\n C C13 1 0.46223357 0.02493537 0.35510722 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31678000\n_cell_length_b 4.68261000\n_cell_length_c 3.33415000\n_cell_angle_alpha 69.13945000\n_cell_angle_beta 89.97569000\n_cell_angle_gamma 89.84472000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.38871986\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78761239 0.69645754 0.06614696 1\n C C1 1 0.01531785 0.18012386 0.44613113 1\n C C2 1 0.30653693 0.02640304 0.22622172 1\n C C3 1 0.43480499 0.68338360 0.39781970 1\n C C4 1 0.68737611 0.19915836 0.08431800 1\n C C5 1 0.95510971 1.01339185 0.90794279 1\n C C6 1 0.05410389 0.51075272 0.42812649 1\n C C7 1 0.72686462 0.52975093 0.77079211 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45903000\n_cell_length_b 3.40017000\n_cell_length_c 5.95804000\n_cell_angle_alpha 117.38052000\n_cell_angle_beta 78.07479000\n_cell_angle_gamma 111.22058000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.18710654\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06583187 0.91728662 0.29432591 1\n C C1 1 0.89477723 0.38219635 0.10049892 1\n C C2 1 0.49520081 0.45464990 0.97326422 1\n C C3 1 0.52964438 0.24179145 0.69708215 1\n C C4 1 1.03938106 0.13457104 0.57044448 1\n C C5 1 0.66526834 -0.01176426 0.16673642 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34573000\n_cell_length_b 3.77165000\n_cell_length_c 6.29727000\n_cell_angle_alpha 81.37276000\n_cell_angle_beta 127.95896000\n_cell_angle_gamma 106.74581000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.95810161\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57788284 0.32118925 0.89450943 1\n C C1 1 0.49466106 0.42822052 0.63688756 1\n C C2 1 0.24307659 0.93366779 0.88728634 1\n C C3 1 0.62154560 0.66665421 1.01367097 1\n C C4 1 1.02095907 0.25507586 0.37564025 1\n C C5 1 0.68629966 0.86788534 0.36836726 1\n C C6 1 0.14870847 0.91923388 0.10798360 1\n C C7 1 -0.23007239 0.76022974 0.62607294 1\n C C8 1 0.11527985 0.27004291 0.15527730 1\n C C9 1 0.64246754 0.52252918 0.24916175 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46220000\n_cell_length_b 4.94058000\n_cell_length_c 4.61851000\n_cell_angle_alpha 91.85829000\n_cell_angle_beta 99.61649000\n_cell_angle_gamma 92.58971000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.29112043\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13510380 0.38568495 0.32615619 1\n C C1 1 0.83561681 0.77274790 0.51090917 1\n C C2 1 0.31847036 0.60223254 0.56864419 1\n C C3 1 0.41201894 0.45854606 0.86373175 1\n C C4 1 0.79200353 0.06199829 0.63569643 1\n C C5 1 0.97295951 0.53703020 0.04169686 1\n C C6 1 0.44748174 0.99661373 0.10821379 1\n C C7 1 0.62808213 0.21427392 0.35072130 1\n C C8 1 -0.06869029 0.82592040 0.16721361 1\n C C9 1 0.35390958 0.14075170 0.81318642 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60791000\n_cell_length_b 3.64871000\n_cell_length_c 5.46998000\n_cell_angle_alpha 109.13540000\n_cell_angle_beta 62.08186000\n_cell_angle_gamma 89.27684000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.58195687\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37888592 0.75570488 0.97966490 1\n C C1 1 0.68577356 0.71670284 0.67162237 1\n C C2 1 0.37905559 0.37091471 0.97949566 1\n C C3 1 0.18861380 1.15871720 0.17013947 1\n C C4 1 0.87707972 0.31375649 0.48084204 1\n C C5 1 0.68603391 0.10129668 0.67150856 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48493000\n_cell_length_b 5.80069000\n_cell_length_c 4.59826000\n_cell_angle_alpha 62.42989000\n_cell_angle_beta 74.30804000\n_cell_angle_gamma 77.61608000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.25406016\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12261429 1.01915103 0.75265965 1\n C C1 1 0.61389206 0.44293300 0.34683070 1\n C C2 1 0.70443923 0.87165396 0.73572967 1\n C C3 1 0.35637130 0.20391843 1.10331151 1\n C C4 1 0.72688837 0.58649941 -0.02782110 1\n C C5 1 0.16280100 0.26859557 0.42273141 1\n C C6 1 0.32865237 0.48879063 0.86751487 1\n C C7 1 0.93854122 0.05587581 0.08708759 1\n C C8 1 0.89511441 0.80732366 0.41742156 1\n C C9 1 0.44544134 0.63290260 0.49254574 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48909000\n_cell_length_b 4.17266000\n_cell_length_c 8.25175000\n_cell_angle_alpha 77.41501000\n_cell_angle_beta 84.72204000\n_cell_angle_gamma 103.45338000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.42503807\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77754666 1.01557570 0.93031662 1\n C C1 1 0.56007350 0.51118639 0.77159403 1\n C C2 1 0.59155150 0.63249930 0.93071832 1\n C C3 1 0.74573404 0.79047627 0.61314207 1\n C C4 1 1.03746492 0.57735432 1.04016981 1\n C C5 1 0.93381161 0.17318565 0.61276183 1\n C C6 1 0.25635946 0.73368530 0.34108141 1\n C C7 1 0.22218998 0.96246918 0.03978401 1\n C C8 1 0.82510057 0.30483217 0.20244847 1\n C C9 1 0.30056790 -0.15646824 0.50361991 1\n C C10 1 0.70128757 0.50218626 0.34100258 1\n C C11 1 0.27148161 0.07261614 0.20219683 1\n C C12 1 -0.03899619 0.29516116 0.77125195 1\n C C13 1 0.48737387 0.22829049 0.50331157 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43068000\n_cell_length_b 4.39441000\n_cell_length_c 5.77921000\n_cell_angle_alpha 133.08904000\n_cell_angle_beta 95.66514000\n_cell_angle_gamma 78.28486000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.07287639\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96733320 0.61192112 0.86293954 1\n C C1 1 0.85653451 0.05590588 0.08481948 1\n C C2 1 0.63399924 -0.05487162 0.52949749 1\n C C3 1 0.18988892 0.72246452 0.41812962 1\n C C4 1 0.30067106 0.27855670 0.19627023 1\n C C5 1 0.52323947 0.38914580 0.75144544 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44823000\n_cell_length_b 4.50875000\n_cell_length_c 3.97831000\n_cell_angle_alpha 93.83574000\n_cell_angle_beta 90.09931000\n_cell_angle_gamma 105.85513000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.13991566\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49992776 0.80807053 0.53905579 1\n C C1 1 0.97085746 0.75017357 0.72428619 1\n C C2 1 0.65352770 0.11702141 0.40433340 1\n C C3 1 0.21944541 0.24969362 0.33259584 1\n C C4 1 0.37596215 0.56003907 0.20036016 1\n C C5 1 0.90454292 0.61824100 0.01611491 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44597000\n_cell_length_b 6.53399000\n_cell_length_c 8.04875000\n_cell_angle_alpha 76.85362000\n_cell_angle_beta 81.24899000\n_cell_angle_gamma 68.14613000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 115.93705392\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71241714 0.17505075 0.83801490 1\n C C1 1 0.69087448 0.40459834 0.40585061 1\n C C2 1 0.79888906 0.48402737 0.03680132 1\n C C3 1 -0.15319761 0.53380296 0.84522113 1\n C C4 1 0.15457178 0.49149288 0.30571265 1\n C C5 1 0.60283928 0.80371730 0.79881086 1\n C C6 1 0.32162592 0.85065727 0.26088720 1\n C C7 1 0.63896809 0.85171611 0.61431848 1\n C C8 1 1.46159092 0.07187305 0.51791043 1\n C C9 1 0.76898244 0.03507029 1.01061224 1\n C C10 1 0.49238407 0.52296731 0.56721444 1\n C C11 1 0.88718397 0.17025095 0.47156004 1\n C C12 1 -0.04444326 0.92611398 0.84969254 1\n C C13 1 -0.10621098 0.74085670 0.33320432 1\n C C14 1 0.86783983 0.66993148 0.52515973 1\n C C15 1 0.48909522 0.42882464 0.76781745 1\n C C16 1 0.26302831 0.47731348 0.12233374 1\n C C17 1 0.26848142 -0.01421626 0.10858291 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48777000\n_cell_length_b 2.48734000\n_cell_length_c 6.09214000\n_cell_angle_alpha 90.01498000\n_cell_angle_beta 89.99329000\n_cell_angle_gamma 120.03965000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.63414325\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51456657 0.26460149 0.04474918 1\n C C1 1 0.18089390 0.59740110 0.37809743 1\n C C2 1 0.84816038 -0.06881707 0.71138090 1\n C C3 1 0.18151576 0.59780955 0.62784834 1\n C C4 1 0.51427298 0.26410200 0.29456124 1\n C C5 1 0.84801491 0.93131803 -0.03881049 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.98019000\n_cell_length_b 4.75747000\n_cell_length_c 4.84971000\n_cell_angle_alpha 108.05781000\n_cell_angle_beta 109.36917000\n_cell_angle_gamma 106.06918000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.87743122\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01287238 0.14758552 0.70975242 1\n C C1 1 0.86181505 0.63382111 0.72612104 1\n C C2 1 0.48973291 0.47330833 0.38615867 1\n C C3 1 0.11718483 0.13811728 0.22319804 1\n C C4 1 0.99083335 0.97486665 0.88728813 1\n C C5 1 0.14087133 0.48831375 0.87052110 1\n C C6 1 0.51229840 0.64910453 0.21093778 1\n C C7 1 -0.11410264 0.98398573 0.37358351 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.69995000\n_cell_length_b 4.20662000\n_cell_length_c 4.28042000\n_cell_angle_alpha 60.39865000\n_cell_angle_beta 82.99209000\n_cell_angle_gamma 68.19080000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.62406851\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79328215 0.56878239 0.78320116 1\n C C1 1 0.84159964 0.90399390 0.10856243 1\n C C2 1 0.87922134 0.53714573 0.44646060 1\n C C3 1 -0.02311136 0.83745890 0.78552752 1\n C C4 1 0.93556815 0.20536649 0.44733064 1\n C C5 1 0.02595075 1.17212681 0.11121655 1\n C C6 1 0.42419768 0.18244127 0.03072155 1\n C C7 1 0.39442486 0.55918832 0.86395784 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41659000\n_cell_length_b 7.71592000\n_cell_length_c 7.71457000\n_cell_angle_alpha 82.00150000\n_cell_angle_beta 98.74122000\n_cell_angle_gamma 108.71745000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 134.02828969\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39391343 0.41299421 0.64331319 1\n C C1 1 1.19812306 0.62616286 0.80851471 1\n C C2 1 0.14766636 0.80982429 0.38308314 1\n C C3 1 0.59120941 0.06514146 0.76203901 1\n C C4 1 1.13116420 0.06087009 0.85298927 1\n C C5 1 -0.02379682 0.18420172 0.29205981 1\n C C6 1 -0.25273347 0.88548069 0.42934324 1\n C C7 1 0.96335365 0.07890096 0.47166976 1\n C C8 1 0.24435935 0.08628811 0.03518893 1\n C C9 1 -0.22812165 0.47696611 0.27649937 1\n C C10 1 0.90960867 0.71362521 0.06298670 1\n C C11 1 0.35067408 0.69885203 0.97239320 1\n C C12 1 0.17460735 0.38150821 0.27696905 1\n C C13 1 0.95881448 0.67516990 0.25518496 1\n C C14 1 0.60299158 0.56564814 0.74143676 1\n C C15 1 0.56469859 0.13040810 0.57125301 1\n C C16 1 0.81144758 1.11038965 0.12177512 1\n C C17 1 0.78980845 0.32791567 0.60888048 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48487000\n_cell_length_b 4.67969000\n_cell_length_c 4.08680000\n_cell_angle_alpha 83.32056000\n_cell_angle_beta 89.97667000\n_cell_angle_gamma 74.55943000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.47368114\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13119090 0.46200558 0.04352668 1\n C C1 1 0.18953523 0.34740145 0.39938725 1\n C C2 1 -0.02670396 0.77596519 0.86431309 1\n C C3 1 0.36138437 1.00615524 0.33134611 1\n C C4 1 0.47397715 0.77428218 0.63741001 1\n C C5 1 0.64531396 0.43352611 0.56962950 1\n C C6 1 0.70417128 0.31732457 0.92512108 1\n C C7 1 0.86256447 0.00343118 0.10629188 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48782000\n_cell_length_b 4.30385000\n_cell_length_c 5.56094000\n_cell_angle_alpha 104.98073000\n_cell_angle_beta 102.92763000\n_cell_angle_gamma 73.21593000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.34807260\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21449036 0.56687712 0.62829540 1\n C C1 1 0.81399021 0.51696914 0.77820016 1\n C C2 1 0.41609387 0.96701133 0.42812263 1\n C C3 1 0.41502397 0.71677265 0.17769049 1\n C C4 1 0.61676423 0.36683689 0.22896089 1\n C C5 1 0.81413102 0.76688514 0.02764971 1\n C C6 1 0.61744213 0.11674640 -0.02125860 1\n C C7 1 0.21571524 0.31702299 0.37891252 1\n C C8 1 1.01706736 0.91671589 0.57813912 1\n C C9 1 0.01761892 0.16697325 0.82882599 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47583000\n_cell_length_b 4.13086000\n_cell_length_c 6.06542000\n_cell_angle_alpha 101.53630000\n_cell_angle_beta 89.98489000\n_cell_angle_gamma 90.01724000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.77973239\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13068002 0.82061876 0.86251813 1\n C C1 1 0.63157988 0.94760217 0.59100661 1\n C C2 1 0.13201971 0.79383080 0.25442318 1\n C C3 1 0.63192840 0.32688285 0.28820405 1\n C C4 1 0.63199292 0.99073539 0.33650035 1\n C C5 1 0.63138929 0.36899407 0.02680274 1\n C C6 1 1.13183986 0.51063205 0.38103954 1\n C C7 1 0.13134202 0.73820362 0.60282803 1\n C C8 1 0.63105122 0.04023117 0.86585655 1\n C C9 1 0.13135969 0.58477271 0.01943792 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47765000\n_cell_length_b 3.82338000\n_cell_length_c 4.49912000\n_cell_angle_alpha 89.57298000\n_cell_angle_beta 57.06160000\n_cell_angle_gamma 89.14090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.76516984\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45045843 1.06751686 0.89289614 1\n C C1 1 0.71655198 0.65456208 0.12834189 1\n C C2 1 0.44710682 0.36116308 0.39640005 1\n C C3 1 0.44951387 0.65462806 0.89276768 1\n C C4 1 0.71992966 0.36077502 0.62478831 1\n C C5 1 0.71771494 0.06734000 0.12844843 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46241000\n_cell_length_b 3.39405000\n_cell_length_c 5.84268000\n_cell_angle_alpha 77.46869000\n_cell_angle_beta 65.04813000\n_cell_angle_gamma 68.67125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.12357897\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93338642 0.92377614 0.90755418 1\n C C1 1 0.55779567 0.28059716 0.10415200 1\n C C2 1 0.40100120 0.73522058 0.03391031 1\n C C3 1 1.02838867 1.09009415 0.22990783 1\n C C4 1 0.17761534 -0.01079105 0.63184630 1\n C C5 1 0.78742530 1.02194423 0.50555668 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42929000\n_cell_length_b 2.42946000\n_cell_length_c 8.71076000\n_cell_angle_alpha 105.32360000\n_cell_angle_beta 74.92137000\n_cell_angle_gamma 120.01415000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.42625248\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04997490 0.51611474 0.99679611 1\n C C1 1 0.47591039 1.03266023 0.33217915 1\n C C2 1 0.95447321 0.62400436 0.66347880 1\n C C3 1 0.28776982 0.29049185 0.66337283 1\n C C4 1 0.80978270 0.69877040 0.33140550 1\n C C5 1 0.38336269 0.18291922 -0.00329189 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.62546000\n_cell_length_b 4.17289000\n_cell_length_c 6.43468000\n_cell_angle_alpha 71.08377000\n_cell_angle_beta 96.55924000\n_cell_angle_gamma 110.53460000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.45207679\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70694702 0.87748710 0.03448103 1\n C C1 1 0.61412693 0.56989332 0.23647317 1\n C C2 1 -0.05459780 0.52802028 0.83213583 1\n C C3 1 -0.14915721 0.21988011 0.03458608 1\n C C4 1 0.75076612 0.07697589 0.63171912 1\n C C5 1 -0.19016073 0.02075666 0.43751012 1\n C C6 1 0.61297736 0.77167822 0.83200244 1\n C C7 1 0.80792292 0.42304177 0.63170144 1\n C C8 1 0.75204842 0.67450575 0.43744135 1\n C C9 1 -0.05327704 0.32626810 0.23659022 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42733000\n_cell_length_b 6.12180000\n_cell_length_c 5.85691000\n_cell_angle_alpha 80.05625000\n_cell_angle_beta 87.62925000\n_cell_angle_gamma 88.84712000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.64328008\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73903461 0.09775141 0.08147160 1\n C C1 1 0.23822283 0.09775297 0.58146670 1\n C C2 1 0.73830635 0.20893808 0.52440950 1\n C C3 1 0.73907298 0.43109148 0.41479906 1\n C C4 1 0.23913624 0.54227687 0.35772985 1\n C C5 1 0.23948791 0.76442576 0.24811052 1\n C C6 1 0.23820636 0.43108377 0.91480497 1\n C C7 1 0.73941724 0.87559110 0.19106769 1\n C C8 1 0.23778377 0.87558884 0.69104963 1\n C C9 1 0.73803891 0.54227500 0.85773000 1\n C C10 1 0.73781556 0.76442531 0.74810818 1\n C C11 1 0.23887055 0.20893401 1.02442659 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48316000\n_cell_length_b 3.84494000\n_cell_length_c 3.74663000\n_cell_angle_alpha 89.98645000\n_cell_angle_beta 90.00345000\n_cell_angle_gamma 89.99172000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.77132768\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16993426 0.08523215 0.79172840 1\n C C1 1 0.66995315 0.08506610 0.02758927 1\n C C2 1 0.16984981 0.67508490 0.79159240 1\n C C3 1 0.66984140 0.37992358 0.29527378 1\n C C4 1 0.16984347 0.38000113 0.52402679 1\n C C5 1 0.66986011 0.67497703 1.02747337 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05378000\n_cell_length_b 2.43057000\n_cell_length_c 6.41418000\n_cell_angle_alpha 79.12947000\n_cell_angle_beta 105.91088000\n_cell_angle_gamma 111.91408000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.27758028\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73764977 -0.08699260 0.10900289 1\n C C1 1 0.73789615 0.57984835 0.77561795 1\n C C2 1 0.74142289 0.47043664 -0.00196847 1\n C C3 1 0.74480406 1.13821747 0.66549490 1\n C C4 1 0.74159164 0.24776614 0.44308479 1\n C C5 1 0.74474489 0.80494980 0.33179355 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47906000\n_cell_length_b 4.95403000\n_cell_length_c 6.77903000\n_cell_angle_alpha 68.54405000\n_cell_angle_beta 68.57835000\n_cell_angle_gamma 59.94794000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.33451110\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56724264 0.67202195 0.99315188 1\n C C1 1 0.73560332 0.75498669 0.74229825 1\n C C2 1 0.84526704 0.81029101 0.07715186 1\n C C3 1 0.12513572 0.44909433 0.65883735 1\n C C4 1 1.12513572 0.94909433 0.65883735 1\n C C5 1 0.67841446 0.72581091 0.32806876 1\n C C6 1 0.84526704 0.31029101 1.07715186 1\n C C7 1 0.28962912 1.03119400 0.41153900 1\n C C8 1 -0.43275736 0.17202195 0.99315188 1\n C C9 1 0.73560332 0.25498669 0.74229825 1\n C C10 1 0.67841446 0.22581091 0.32806876 1\n C C11 1 0.28962912 0.53119400 0.41153900 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.24237000\n_cell_length_b 3.37782000\n_cell_length_c 5.19333000\n_cell_angle_alpha 85.05671000\n_cell_angle_beta 69.39101000\n_cell_angle_gamma 76.39263000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.70195030\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51223024 0.32330144 0.19208914 1\n C C1 1 0.12766407 0.49569265 0.65781962 1\n C C2 1 0.24395239 0.15134922 0.43888775 1\n C C3 1 0.80521837 0.86886898 0.74374553 1\n C C4 1 0.90373908 0.08972461 0.44298876 1\n C C5 1 0.68841743 0.49891761 0.35841441 1\n C C6 1 0.93232093 0.77773288 0.22143427 1\n C C7 1 0.83783653 0.06187005 0.00474080 1\n C C8 1 0.17104265 0.25185614 0.89961984 1\n C C9 1 0.39003863 0.74853308 0.56533726 1\n C C10 1 0.28139632 0.55150568 1.04789384 1\n C C11 1 0.43569977 0.84800378 0.82143339 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46653000\n_cell_length_b 5.14685000\n_cell_length_c 7.84100000\n_cell_angle_alpha 126.14597000\n_cell_angle_beta 80.51197000\n_cell_angle_gamma 94.50660000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.25919700\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08451849 0.49076284 0.44417968 1\n C C1 1 0.53802788 -0.01028923 0.32679840 1\n C C2 1 0.22328971 0.84818397 0.63511963 1\n C C3 1 0.32176556 0.46758342 0.70258594 1\n C C4 1 0.52571410 0.34755635 0.47074571 1\n C C5 1 -0.21621073 -0.00914601 0.60811182 1\n C C6 1 0.08609239 0.50273889 0.25340261 1\n C C7 1 0.77157500 0.34838097 0.75202545 1\n C C8 1 0.98511938 0.87064293 0.37644882 1\n C C9 1 0.66488561 0.98086222 0.97153968 1\n C C10 1 -0.35990267 0.35790117 0.10771312 1\n C C11 1 0.69533953 0.50105322 0.98208580 1\n C C12 1 0.21943348 0.83586352 0.82566986 1\n C C13 1 0.61783036 0.83794214 1.09668867 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48308000\n_cell_length_b 3.84247000\n_cell_length_c 3.74851000\n_cell_angle_alpha 90.04585000\n_cell_angle_beta 89.99319000\n_cell_angle_gamma 89.98686000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.76512255\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60626779 0.80394508 0.41083717 1\n C C1 1 1.10643773 0.50991515 0.91412490 1\n C C2 1 0.10659500 0.21507615 0.64599331 1\n C C3 1 0.10625893 0.80433365 0.64639446 1\n C C4 1 0.60659762 0.21471041 0.41038525 1\n C C5 1 0.60646023 0.50957166 0.14267842 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46841000\n_cell_length_b 3.37851000\n_cell_length_c 5.22052000\n_cell_angle_alpha 88.96847000\n_cell_angle_beta 90.04358000\n_cell_angle_gamma 111.42697000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.52032777\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25664716 0.10209112 0.05009695 1\n C C1 1 0.65198847 0.89787081 0.37700139 1\n C C2 1 0.69262930 0.97489715 0.65166306 1\n C C3 1 0.21740613 0.02537657 0.77550346 1\n C C4 1 0.84472654 0.27840306 0.17455365 1\n C C5 1 1.06377060 0.72149350 0.25249680 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44464000\n_cell_length_b 4.80658000\n_cell_length_c 4.41179000\n_cell_angle_alpha 95.95027000\n_cell_angle_beta 88.39699000\n_cell_angle_gamma 97.74177000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.98270023\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31296064 0.41495112 0.11740943 1\n C C1 1 0.06985155 0.91705521 0.37923952 1\n C C2 1 0.68771796 0.06858275 0.75597047 1\n C C3 1 0.30427763 -0.08584681 0.12978532 1\n C C4 1 0.05543014 0.41543005 0.38799442 1\n C C5 1 0.43961745 0.66763797 -0.00609579 1\n C C6 1 0.93100293 0.16320713 0.51295885 1\n C C7 1 0.93078823 0.67184702 0.51469793 1\n C C8 1 0.43974789 0.15891402 -0.00762678 1\n C C9 1 0.68817988 0.76335693 0.75417783 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42977000\n_cell_length_b 2.42998000\n_cell_length_c 8.45365000\n_cell_angle_alpha 87.36141000\n_cell_angle_beta 82.80457000\n_cell_angle_gamma 59.99160000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.87371331\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79507505 0.96668841 0.56067980 1\n C C1 1 0.43976240 0.95820712 0.21900554 1\n C C2 1 0.27436554 0.69140160 -0.11233793 1\n C C3 1 0.77366977 0.29108232 0.21865958 1\n C C4 1 -0.05867715 0.35748111 0.88752946 1\n C C5 1 0.12846949 0.29942994 0.56100126 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43134000\n_cell_length_b 4.20103000\n_cell_length_c 6.08271000\n_cell_angle_alpha 105.60787000\n_cell_angle_beta 107.06170000\n_cell_angle_gamma 89.86486000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.00686375\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94424116 0.63335311 0.32765789 1\n C C1 1 0.53116494 0.09700731 0.82722483 1\n C C2 1 1.03071784 0.26386081 0.82646426 1\n C C3 1 -0.05622141 0.30020142 0.32689029 1\n C C4 1 0.53073640 0.76386854 0.82647554 1\n C C5 1 0.44379407 0.80020661 0.32689733 1\n C C6 1 0.03118041 0.59701250 0.82723187 1\n C C7 1 0.44422260 0.13334539 0.32764662 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.17945000\n_cell_length_b 3.64343000\n_cell_length_c 4.81518000\n_cell_angle_alpha 112.19602000\n_cell_angle_beta 117.01008000\n_cell_angle_gamma 95.11819000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.65317535\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87733910 0.10401480 -0.04274301 1\n C C1 1 -0.11911576 0.48484571 -0.04178468 1\n C C2 1 -0.12140469 0.45089709 0.65080480 1\n C C3 1 0.87639546 1.04399685 0.45721852 1\n C C4 1 0.88227941 0.89159780 0.15146234 1\n C C5 1 0.88106199 0.83124765 0.65115663 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46203000\n_cell_length_b 3.39269000\n_cell_length_c 5.84401000\n_cell_angle_alpha 102.55505000\n_cell_angle_beta 114.98915000\n_cell_angle_gamma 68.63008000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.08632240\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79392531 0.99060404 0.60691257 1\n C C1 1 0.17966931 0.27868374 0.13519954 1\n C C2 1 1.02263851 0.73348210 0.20547688 1\n C C3 1 0.64753924 0.08917275 0.00883467 1\n C C4 1 0.40438378 1.02246715 0.73327596 1\n C C5 1 0.55283365 -0.07699579 0.33140687 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48143000\n_cell_length_b 4.21840000\n_cell_length_c 3.68964000\n_cell_angle_alpha 75.18376000\n_cell_angle_beta 109.64706000\n_cell_angle_gamma 90.03367000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00902684\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63737000 0.26644222 0.62604816 1\n C C1 1 0.83827208 0.34195376 0.02389511 1\n C C2 1 0.41666764 0.47273483 0.18103256 1\n C C3 1 0.15609200 0.04442194 0.66438788 1\n C C4 1 -0.04129768 -0.03090746 0.26644095 1\n C C5 1 0.38043476 0.83800611 0.10999564 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51015000\n_cell_length_b 4.93252000\n_cell_length_c 4.80558000\n_cell_angle_alpha 67.62585000\n_cell_angle_beta 90.03395000\n_cell_angle_gamma 59.46191000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.96117967\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06436531 0.51831420 0.46737643 1\n C C1 1 0.40338768 0.17822693 0.14697483 1\n C C2 1 0.66175893 0.42081395 0.66315371 1\n C C3 1 0.02735670 0.05330217 0.66366203 1\n C C4 1 0.68822888 0.39347808 -0.01639852 1\n C C5 1 0.32163732 0.75995680 -0.01629701 1\n C C6 1 0.77037672 0.81158581 0.14707534 1\n C C7 1 0.42962834 0.15102506 0.46762249 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.78544000\n_cell_length_b 3.32019000\n_cell_length_c 3.91766000\n_cell_angle_alpha 74.21373000\n_cell_angle_beta 91.85517000\n_cell_angle_gamma 84.00897000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.02764004\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96665889 -0.09173333 0.72491912 1\n C C1 1 0.24437339 0.55996624 0.32325789 1\n C C2 1 0.60761653 0.65700985 0.21796942 1\n C C3 1 0.78887387 0.28222003 0.10933849 1\n C C4 1 0.09872394 0.47816179 0.96440764 1\n C C5 1 0.25462639 0.22850000 0.70675930 1\n C C6 1 0.91123158 -0.14363564 0.37355193 1\n C C7 1 0.61935481 1.04191575 0.88445951 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45427000\n_cell_length_b 5.83951000\n_cell_length_c 5.60283000\n_cell_angle_alpha 92.10763000\n_cell_angle_beta 89.90774000\n_cell_angle_gamma 65.19701000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.82904377\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11879096 0.28518709 0.57231192 1\n C C1 1 0.79463508 0.10766393 0.25013267 1\n C C2 1 1.39754785 1.00230466 0.61354673 1\n C C3 1 0.85670991 0.55500932 0.00325747 1\n C C4 1 0.46472599 0.43971836 0.63046698 1\n C C5 1 0.40720656 -0.01025684 0.87756002 1\n C C6 1 0.87418595 0.02918645 0.99436971 1\n C C7 1 0.38806248 0.51701376 0.88602672 1\n C C8 1 0.27358992 0.63354771 0.40784050 1\n C C9 1 -0.01240373 0.91374647 0.47246651 1\n C C10 1 0.14127120 0.26148988 0.30963704 1\n C C11 1 0.86358473 0.54442681 0.26759053 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47365000\n_cell_length_b 3.28847000\n_cell_length_c 6.91995000\n_cell_angle_alpha 118.42053000\n_cell_angle_beta 79.68680000\n_cell_angle_gamma 112.13477000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.85765278\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70218886 0.02308716 0.27094844 1\n C C1 1 -0.11774830 0.20365006 0.09085874 1\n C C2 1 0.20196558 0.16176613 0.41006821 1\n C C3 1 0.52197803 0.48178063 0.09070387 1\n C C4 1 0.20221542 0.52284582 0.77092408 1\n C C5 1 0.70199846 0.66168304 0.91008358 1\n C C6 1 0.38224247 0.70344208 0.59078464 1\n C C7 1 1.02196649 -0.01844473 0.59061314 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49130000\n_cell_length_b 4.34918000\n_cell_length_c 3.59508000\n_cell_angle_alpha 84.30759000\n_cell_angle_beta 110.31388000\n_cell_angle_gamma 106.61785000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00465545\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86634170 0.58744707 0.21782630 1\n C C1 1 0.42479591 -0.03618463 0.95911399 1\n C C2 1 0.34323010 0.16938781 0.58822169 1\n C C3 1 -0.05060050 0.38187480 0.58818511 1\n C C4 1 0.23599053 0.58727815 0.95896789 1\n C C5 1 0.05371495 0.96365131 0.21775293 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48653000\n_cell_length_b 2.48655000\n_cell_length_c 5.55882000\n_cell_angle_alpha 102.92548000\n_cell_angle_beta 77.06641000\n_cell_angle_gamma 90.00556000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60360614\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57660178 0.95242399 0.22421450 1\n C C1 1 0.90984348 0.61909874 0.55760971 1\n C C2 1 0.24313664 0.28574259 0.89093988 1\n C C3 1 0.32646434 0.70231927 0.72418127 1\n C C4 1 0.65992948 0.36900068 0.05745589 1\n C C5 1 -0.00677736 0.03564452 0.39078606 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45604000\n_cell_length_b 3.66502000\n_cell_length_c 6.47394000\n_cell_angle_alpha 99.45802000\n_cell_angle_beta 100.92413000\n_cell_angle_gamma 109.59851000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.24231003\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82013007 0.51839199 0.74155971 1\n C C1 1 0.68261702 0.47773446 0.50537985 1\n C C2 1 0.28413851 0.35822526 0.82876861 1\n C C3 1 0.52441973 0.59055662 0.07627985 1\n C C4 1 0.69861738 -0.01121306 0.02486509 1\n C C5 1 -0.01327223 0.42935799 0.16306878 1\n C C6 1 1.12517056 0.46938615 0.39927712 1\n C C7 1 0.11171196 0.95976978 0.87970719 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.94679000\n_cell_length_b 3.61925000\n_cell_length_c 4.82217000\n_cell_angle_alpha 68.06103000\n_cell_angle_beta 68.71682000\n_cell_angle_gamma 86.26178000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.30352849\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72353785 0.44265461 0.30671819 1\n C C1 1 0.71824405 0.40751415 0.61612299 1\n C C2 1 0.71889640 0.78908170 0.61595322 1\n C C3 1 0.71471110 0.00217649 0.80816424 1\n C C4 1 0.72811020 0.84798846 0.11425285 1\n C C5 1 0.72347959 1.06141329 0.30641301 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52253000\n_cell_length_b 4.67796000\n_cell_length_c 7.44203000\n_cell_angle_alpha 84.25868000\n_cell_angle_beta 88.79938000\n_cell_angle_gamma 74.39062000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 84.15337634\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56755089 0.66763964 0.84444208 1\n C C1 1 0.28675779 0.19080409 0.97989602 1\n C C2 1 1.03191211 1.00808896 0.40939923 1\n C C3 1 1.04170620 0.71257476 0.12116096 1\n C C4 1 0.94805907 0.99034599 0.60000374 1\n C C5 1 0.10797946 0.27121768 0.31998495 1\n C C6 1 0.76970151 0.27217051 0.67772835 1\n C C7 1 0.73485391 0.30836459 0.87653643 1\n C C8 1 1.04779258 0.76418619 0.31738058 1\n C C9 1 0.04752080 0.71812505 0.72304823 1\n C C10 1 0.16659796 0.36556425 0.13996747 1\n C C11 1 1.10548567 0.50373498 0.42262156 1\n C C12 1 0.47909547 0.83394401 0.01559917 1\n C C13 1 0.17470487 0.45086900 0.61533722 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46160000\n_cell_length_b 3.63348000\n_cell_length_c 4.48876000\n_cell_angle_alpha 73.61191000\n_cell_angle_beta 95.34302000\n_cell_angle_gamma 63.42818000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.30432215\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06575936 0.83993355 0.48863991 1\n C C1 1 0.22666669 0.17883362 0.81099445 1\n C C2 1 0.75855653 0.56657433 0.48856300 1\n C C3 1 0.91966701 -0.09483463 0.81111144 1\n C C4 1 0.19114392 0.42438556 0.04495573 1\n C C5 1 -0.20388590 0.31940297 0.25554337 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43189000\n_cell_length_b 4.85970000\n_cell_length_c 6.70320000\n_cell_angle_alpha 61.49622000\n_cell_angle_beta 88.74035000\n_cell_angle_gamma 59.81056000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.64389652\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38639058 0.86217748 0.37284913 1\n C C1 1 0.38646828 0.36222308 0.37285195 1\n C C2 1 0.62010896 0.69021932 0.87447772 1\n C C3 1 0.95369321 0.35727986 0.87441551 1\n C C4 1 0.72049742 0.02884802 0.37320424 1\n C C5 1 -0.38013606 0.19026374 -0.12556655 1\n C C6 1 -0.04614731 0.85730137 -0.12562238 1\n C C7 1 0.72054632 0.52887812 0.37321688 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.57190000\n_cell_length_b 4.95117000\n_cell_length_c 5.47899000\n_cell_angle_alpha 77.10638000\n_cell_angle_beta 93.07932000\n_cell_angle_gamma 68.38672000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.81924592\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62949949 0.22438074 0.82920595 1\n C C1 1 0.23520624 0.42548428 0.41618933 1\n C C2 1 0.45460829 0.75689920 0.78785439 1\n C C3 1 1.04386537 0.07064782 0.01397958 1\n C C4 1 0.15171879 0.51511205 0.12568492 1\n C C5 1 0.62605795 0.37004250 0.55900029 1\n C C6 1 -0.06488037 0.73882661 0.42479656 1\n C C7 1 0.47206870 0.97625606 -0.06722809 1\n C C8 1 0.61087458 0.69032473 0.55271079 1\n C C9 1 0.87811926 0.83165273 0.12947054 1\n C C10 1 0.17405753 0.88980717 0.53198578 1\n C C11 1 0.48784859 0.47227009 -0.02743630 1\n C C12 1 0.90938477 0.32169892 0.14033675 1\n C C13 1 -0.00830160 0.22531629 0.43415132 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48491000\n_cell_length_b 4.08679000\n_cell_length_c 4.67868000\n_cell_angle_alpha 83.32954000\n_cell_angle_beta 74.59270000\n_cell_angle_gamma 89.99840000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.47219813\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97606392 0.52943619 0.20471338 1\n C C1 1 0.09315350 0.28705688 0.97754379 1\n C C2 1 0.76337881 0.99282032 0.63521309 1\n C C3 1 0.59421666 0.06233371 0.97574436 1\n C C4 1 0.24838583 0.46778190 0.66308202 1\n C C5 1 0.47499635 0.75593283 0.20724741 1\n C C6 1 0.81976451 0.34870712 0.51915848 1\n C C7 1 0.30540532 0.82324836 0.54916177 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45395000\n_cell_length_b 5.77156000\n_cell_length_c 6.98487000\n_cell_angle_alpha 91.37883000\n_cell_angle_beta 121.94372000\n_cell_angle_gamma 102.25389000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.91748591\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98197634 0.34504874 0.68024935 1\n C C1 1 -0.08887127 0.22278677 0.34139399 1\n C C2 1 1.09928876 0.15421356 0.82173356 1\n C C3 1 1.08595934 0.53480804 0.01826114 1\n C C4 1 0.32551421 0.40250361 0.55748928 1\n C C5 1 0.29798689 0.77264800 0.08107833 1\n C C6 1 -0.14147072 0.91491049 0.07429358 1\n C C7 1 0.40541399 0.41301299 0.93876580 1\n C C8 1 0.23928098 0.12861882 0.25796219 1\n C C9 1 0.51331718 0.67688248 0.59100202 1\n C C10 1 1.15640768 0.79073516 0.64830619 1\n C C11 1 0.53901522 0.00984586 0.82978818 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.90276000\n_cell_length_b 5.05310000\n_cell_length_c 7.70219000\n_cell_angle_alpha 83.36793000\n_cell_angle_beta 101.16142000\n_cell_angle_gamma 68.87723000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 101.25081515\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60704508 0.16486055 0.60082942 1\n C C1 1 0.80508405 0.24103114 0.88075216 1\n C C2 1 0.40814613 0.80346193 0.05491941 1\n C C3 1 0.92627051 0.28963592 0.05625372 1\n C C4 1 0.29837165 0.01856740 0.15858412 1\n C C5 1 0.97682411 0.89345613 0.70324751 1\n C C6 1 0.01092099 0.48250920 0.32856350 1\n C C7 1 0.13059377 0.65629784 0.61855907 1\n C C8 1 0.38033584 0.21052598 0.42101531 1\n C C9 1 0.89605809 0.70109900 0.43056501 1\n C C10 1 0.49683705 0.37935346 0.70490848 1\n C C11 1 0.77403336 0.52719215 0.14027947 1\n C C12 1 0.09891090 0.94075830 0.87921869 1\n C C13 1 0.52582328 0.97377600 0.33778382 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47343000\n_cell_length_b 3.72089000\n_cell_length_c 4.25182000\n_cell_angle_alpha 64.00638000\n_cell_angle_beta 89.94033000\n_cell_angle_gamma 89.85890000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17254375\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13083858 0.26806481 0.18406825 1\n C C1 1 0.63087210 0.72312160 0.68341963 1\n C C2 1 0.63083500 0.15774356 0.40519786 1\n C C3 1 0.13094767 0.11172220 0.90564585 1\n C C4 1 0.63084896 0.31461329 0.68333787 1\n C C5 1 0.13075959 0.70313043 0.90585784 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.01735000\n_cell_length_b 3.63366000\n_cell_length_c 5.95023000\n_cell_angle_alpha 87.90747000\n_cell_angle_beta 47.41405000\n_cell_angle_gamma 70.28745000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.45323337\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94857470 0.03909175 0.50870288 1\n C C1 1 -0.05434341 0.60060503 1.00840878 1\n C C2 1 -0.05645521 0.98252207 0.00926563 1\n C C3 1 0.33279305 0.25388470 0.31799094 1\n C C4 1 0.32776314 0.19731502 0.81855370 1\n C C5 1 0.33068125 0.63580175 0.31884780 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39680000\n_cell_length_b 6.60592000\n_cell_length_c 4.94961000\n_cell_angle_alpha 67.90746000\n_cell_angle_beta 64.63887000\n_cell_angle_gamma 53.35848000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.40833305\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55137791 0.38472335 0.46112155 1\n C C1 1 0.16296200 0.55655946 0.27627025 1\n C C2 1 0.06671375 0.34268263 0.25840166 1\n C C3 1 0.92517338 0.05305681 0.02972719 1\n C C4 1 0.02437273 0.41999507 0.95092318 1\n C C5 1 0.33066507 0.72935149 0.70612921 1\n C C6 1 1.44610857 0.46530100 0.73079123 1\n C C7 1 0.59336797 0.80617716 0.37597856 1\n C C8 1 0.52967199 0.07559654 0.33014800 1\n C C9 1 0.80669643 0.94817431 0.83255282 1\n C C10 1 0.51318066 0.64689490 -0.01282370 1\n C C11 1 0.45013299 0.85708321 0.07493252 1\n C C12 1 -0.04079200 0.27201438 0.82470952 1\n C C13 1 0.50925225 0.14762699 0.59850061 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27079000\n_cell_length_b 3.57178000\n_cell_length_c 4.84338000\n_cell_angle_alpha 100.17832000\n_cell_angle_beta 108.51077000\n_cell_angle_gamma 103.58135000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.18006457\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04772418 0.71388160 0.18021896 1\n C C1 1 0.19375138 0.45057069 0.72194474 1\n C C2 1 0.51101162 0.87252001 0.43857142 1\n C C3 1 0.66960976 0.52479047 0.27189668 1\n C C4 1 0.91555696 0.97017573 0.98294341 1\n C C5 1 0.52518233 0.79090209 0.73083847 1\n C C6 1 0.80267714 0.26919187 0.46945037 1\n C C7 1 0.20827032 0.36629763 1.01372657 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46468000\n_cell_length_b 7.08466000\n_cell_length_c 8.02036000\n_cell_angle_alpha 116.75922000\n_cell_angle_beta 97.15641000\n_cell_angle_gamma 100.70248000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 119.36408976\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48927817 0.32857328 0.89314998 1\n C C1 1 0.26757226 0.10130457 0.73686606 1\n C C2 1 -0.04325393 0.44575628 0.70241791 1\n C C3 1 0.04022275 0.78183183 0.57936930 1\n C C4 1 0.41501301 0.43831386 0.62020017 1\n C C5 1 0.77477315 0.55998680 0.24378934 1\n C C6 1 1.10996633 0.95952390 0.52033952 1\n C C7 1 0.27172874 0.67590080 0.04718250 1\n C C8 1 0.71608124 0.95617814 0.92570798 1\n C C9 1 0.31932416 0.42637664 0.43407855 1\n C C10 1 0.87099281 0.54978030 0.42691503 1\n C C11 1 0.00493120 0.20111610 0.08811276 1\n C C12 1 0.33240118 0.68435074 0.23541442 1\n C C13 1 0.58858998 0.05317990 0.26610093 1\n C C14 1 0.16712706 0.92596564 0.79394477 1\n C C15 1 1.14098993 0.18890246 0.27503319 1\n C C16 1 0.53080401 0.86820115 1.05896516 1\n C C17 1 0.56659395 0.32327547 0.07959887 1\n C C18 1 1.05023007 0.45293714 0.88673417 1\n C C19 1 0.54415074 0.93370678 0.39352340 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35079000\n_cell_length_b 5.02473000\n_cell_length_c 4.92125000\n_cell_angle_alpha 132.27986000\n_cell_angle_beta 102.48521000\n_cell_angle_gamma 92.36195000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.82175366\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25380591 0.82761082 0.88960954 1\n C C1 1 0.93355040 0.85608179 0.08802126 1\n C C2 1 0.25057177 0.87001275 0.37462620 1\n C C3 1 0.50924526 0.56255690 0.85035888 1\n C C4 1 0.93380343 0.22368452 0.85537179 1\n C C5 1 0.04594777 0.83376005 0.59665803 1\n C C6 1 0.59754670 0.20349352 0.56877460 1\n C C7 1 0.66688345 0.13864014 0.23421141 1\n C C8 1 0.74034900 0.42768134 0.22179088 1\n C C9 1 0.36226742 0.51367057 0.08601292 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47509000\n_cell_length_b 4.24762000\n_cell_length_c 3.72239000\n_cell_angle_alpha 64.02072000\n_cell_angle_beta 89.99963000\n_cell_angle_gamma 89.99336000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17995459\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82475355 0.75446972 0.02184538 1\n C C1 1 0.32475992 0.53308749 0.13271812 1\n C C2 1 0.32434408 0.25518978 0.56744720 1\n C C3 1 0.82446636 1.03240417 0.58683174 1\n C C4 1 0.32484440 0.25534783 0.97538385 1\n C C5 1 0.82504008 0.03230700 0.17878982 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47759000\n_cell_length_b 2.47831000\n_cell_length_c 6.31058000\n_cell_angle_alpha 89.99374000\n_cell_angle_beta 78.69328000\n_cell_angle_gamma 59.96530000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67431464\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28752163 0.44019375 0.77688616 1\n C C1 1 0.56646214 0.30016987 0.35890987 1\n C C2 1 0.01050164 0.07859500 0.69335649 1\n C C3 1 0.72994551 0.21861906 0.11122407 1\n C C4 1 0.17812438 0.99434106 0.44244642 1\n C C5 1 1.11873908 0.52437336 0.02777479 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42584000\n_cell_length_b 4.21782000\n_cell_length_c 4.21819000\n_cell_angle_alpha 89.71436000\n_cell_angle_beta 89.97066000\n_cell_angle_gamma 89.96460000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.15894265\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36421802 0.80438780 0.86549178 1\n C C1 1 -0.13534643 0.30822595 0.77742612 1\n C C2 1 0.86436207 0.65609201 0.71789853 1\n C C3 1 0.36473552 0.15213371 0.80568171 1\n C C4 1 0.86384592 0.71723415 0.36963333 1\n C C5 1 0.36386550 0.74389197 0.21381763 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47654000\n_cell_length_b 5.78293000\n_cell_length_c 5.09547000\n_cell_angle_alpha 111.45088000\n_cell_angle_beta 90.03179000\n_cell_angle_gamma 89.99489000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.92065117\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84935552 0.41733539 0.64192987 1\n C C1 1 0.34989917 0.74985629 -0.02013488 1\n C C2 1 -0.15157852 0.63108377 0.56651447 1\n C C3 1 -0.15165450 0.22178805 0.35695257 1\n C C4 1 0.34809538 0.60464054 0.39330991 1\n C C5 1 0.34954359 0.22002802 0.90815229 1\n C C6 1 0.34971872 0.44429334 0.81504577 1\n C C7 1 0.34879091 0.82777077 0.29900295 1\n C C8 1 0.84975347 0.82634580 0.85120116 1\n C C9 1 0.84961242 1.06438738 0.77889903 1\n C C10 1 0.84883826 -0.01653534 0.42817896 1\n C C11 1 0.34825579 0.29829650 0.22769559 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.58953000\n_cell_length_b 4.39777000\n_cell_length_c 4.43550000\n_cell_angle_alpha 115.85692000\n_cell_angle_beta 73.26489000\n_cell_angle_gamma 86.28233000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.84849844\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53345795 0.41444638 0.50185925 1\n C C1 1 0.74197713 0.27531084 0.08280103 1\n C C2 1 0.16700193 0.68235241 0.61048079 1\n C C3 1 0.30748004 -0.18319053 0.35029043 1\n C C4 1 -0.28034122 0.60456653 1.05780561 1\n C C5 1 0.96774735 -0.12710460 0.23416768 1\n C C6 1 0.55537680 0.08523725 0.52686349 1\n C C7 1 0.52467840 0.04086242 0.86034863 1\n C C8 1 0.75070312 0.64894387 0.72417592 1\n C C9 1 0.10816209 0.00766464 0.97428796 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.72756000\n_cell_length_b 3.72837000\n_cell_length_c 3.72847000\n_cell_angle_alpha 109.48078000\n_cell_angle_beta 109.52151000\n_cell_angle_gamma 109.46713000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.86145244\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02435031 0.70185928 0.12803599 1\n C C1 1 0.47533865 0.45148513 0.87794796 1\n C C2 1 0.47582778 0.20180527 0.12823722 1\n C C3 1 0.97582490 0.45224042 0.37817926 1\n C C4 1 0.22588330 0.70147059 0.87819989 1\n C C5 1 0.22564269 0.20152222 0.37775729 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.61199000\n_cell_length_b 3.38912000\n_cell_length_c 6.54299000\n_cell_angle_alpha 95.57420000\n_cell_angle_beta 98.54942000\n_cell_angle_gamma 66.58227000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.61779997\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72775116 0.57312033 0.53557055 1\n C C1 1 0.02688701 0.61433166 0.87784688 1\n C C2 1 1.06034193 0.15299654 1.13481451 1\n C C3 1 0.26603722 0.13465925 0.78889844 1\n C C4 1 -0.01909284 0.77996535 0.44206404 1\n C C5 1 0.80899781 0.94283830 0.22080291 1\n C C6 1 0.40581257 0.22757666 0.26012069 1\n C C7 1 0.69201661 -0.08554606 0.71483026 1\n C C8 1 0.77822484 0.60592321 0.04847980 1\n C C9 1 -0.06852084 0.12351539 0.61705993 1\n C C10 1 0.29661421 0.84213923 0.96436964 1\n C C11 1 0.38333222 0.52437695 0.40920335 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43581000\n_cell_length_b 4.38068000\n_cell_length_c 3.63745000\n_cell_angle_alpha 123.90026000\n_cell_angle_beta 79.58995000\n_cell_angle_gamma 104.93383000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.85984701\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15223943 0.80980921 0.47371641 1\n C C1 1 0.65190062 0.30964424 0.41330550 1\n C C2 1 0.65250407 0.30929384 1.03295176 1\n C C3 1 0.96028335 0.61719575 0.06785533 1\n C C4 1 0.46069622 0.11688505 0.62703847 1\n C C5 1 0.96104622 0.61730411 0.68773463 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43138000\n_cell_length_b 4.04923000\n_cell_length_c 4.62897000\n_cell_angle_alpha 84.71550000\n_cell_angle_beta 72.47246000\n_cell_angle_gamma 92.20233000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.16745511\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37753030 0.41190812 1.00282579 1\n C C1 1 0.26453565 0.62985591 0.22751761 1\n C C2 1 0.93233917 0.29868539 0.89262973 1\n C C3 1 0.70924804 0.74182400 0.33853560 1\n C C4 1 0.04370801 0.07743587 0.67018894 1\n C C5 1 0.59894472 0.96536511 0.55945582 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47478000\n_cell_length_b 5.46295000\n_cell_length_c 8.34347000\n_cell_angle_alpha 111.03228000\n_cell_angle_beta 82.79874000\n_cell_angle_gamma 109.05354000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 99.51296199\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45178824 0.71617314 0.12864602 1\n C C1 1 0.29821705 0.93978484 0.94089995 1\n C C2 1 0.29440854 0.17541433 0.25336593 1\n C C3 1 -0.13933165 0.79218891 0.40624631 1\n C C4 1 0.62913691 0.23307596 0.51942250 1\n C C5 1 1.22350636 0.63825878 0.43550123 1\n C C6 1 0.67966172 0.78784882 0.96397400 1\n C C7 1 1.44803220 0.22926007 0.07863120 1\n C C8 1 0.08352685 0.38271825 1.04907676 1\n C C9 1 0.63040373 0.50910690 0.83166667 1\n C C10 1 1.01056109 0.08128188 0.54251375 1\n C C11 1 0.25518318 0.65708982 0.62399733 1\n C C12 1 0.05043958 0.36261660 -0.13961428 1\n C C13 1 0.35636914 0.93927378 0.75592280 1\n C C14 1 0.01435828 -0.15500413 0.23131803 1\n C C15 1 0.95367386 1.08206804 0.72804422 1\n C C16 1 0.67515434 0.51037131 0.65283850 1\n C C17 1 0.85864239 0.30577699 0.35589389 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48106000\n_cell_length_b 5.78238000\n_cell_length_c 5.64338000\n_cell_angle_alpha 118.80801000\n_cell_angle_beta 89.97485000\n_cell_angle_gamma 102.41922000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.77675865\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33064444 0.09458219 0.45150067 1\n C C1 1 0.18318609 0.79456018 0.73265186 1\n C C2 1 0.02804554 0.48724140 0.55680666 1\n C C3 1 0.75378002 -0.06365191 0.70678726 1\n C C4 1 0.49060498 0.41634202 0.92522827 1\n C C5 1 0.92105274 0.27527036 0.95181595 1\n C C6 1 0.64437247 0.72339337 1.10104497 1\n C C7 1 0.34297572 0.11632348 0.20679519 1\n C C8 1 0.92125583 0.27302201 0.22100226 1\n C C9 1 0.75262280 0.93819604 0.43702173 1\n C C10 1 0.19699844 0.82515932 0.01556423 1\n C C11 1 0.47548693 0.38580063 0.64261454 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47785000\n_cell_length_b 5.41959000\n_cell_length_c 5.42369000\n_cell_angle_alpha 78.62928000\n_cell_angle_beta 90.00807000\n_cell_angle_gamma 90.00613000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.40476955\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69246570 0.81717564 0.40146708 1\n C C1 1 0.19257129 0.24211142 0.83035396 1\n C C2 1 0.69286679 0.49109716 0.07496845 1\n C C3 1 0.69238183 0.67040872 0.66589083 1\n C C4 1 0.69291552 0.08017242 0.48664929 1\n C C5 1 0.69249227 0.40559061 0.81276603 1\n C C6 1 0.19259040 0.83384481 0.23866369 1\n C C7 1 0.19250914 0.11846534 0.11435205 1\n C C8 1 0.19260383 0.77840029 0.77375456 1\n C C9 1 0.19298354 0.65386048 1.05802078 1\n C C10 1 0.69262577 0.22677244 0.22206222 1\n C C11 1 1.19298152 0.06223708 0.64980496 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47246000\n_cell_length_b 5.73423000\n_cell_length_c 5.96992000\n_cell_angle_alpha 86.80589000\n_cell_angle_beta 101.86974000\n_cell_angle_gamma 115.50173000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.70809196\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89709977 0.39707092 0.34931654 1\n C C1 1 0.94723144 -0.04507742 0.32520771 1\n C C2 1 0.10707840 0.41080415 0.73837317 1\n C C3 1 0.27618430 0.24350642 0.41190441 1\n C C4 1 0.27027528 0.45052630 0.98832811 1\n C C5 1 0.34767249 0.92339503 0.18560235 1\n C C6 1 0.25633170 0.94200901 0.96495415 1\n C C7 1 0.88351540 0.78432005 0.54404570 1\n C C8 1 0.21253699 0.61259164 0.54628038 1\n C C9 1 0.82007364 0.44525900 0.10181683 1\n C C10 1 0.41282135 0.25099249 0.66930421 1\n C C11 1 0.18123274 -0.01867397 0.74256355 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42604000\n_cell_length_b 4.22456000\n_cell_length_c 4.22497000\n_cell_angle_alpha 88.67943000\n_cell_angle_beta 89.99883000\n_cell_angle_gamma 90.00703000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.29001157\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74995272 0.74883520 0.76774814 1\n C C1 1 0.24997011 0.72415143 0.92435327 1\n C C2 1 0.24664909 0.31395373 0.33270968 1\n C C3 1 0.24824277 0.66260160 0.27263317 1\n C C4 1 0.74675510 0.15735758 0.35750860 1\n C C5 1 0.74842572 0.80906656 0.41903514 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53910000\n_cell_length_b 5.32164000\n_cell_length_c 4.80946000\n_cell_angle_alpha 90.10236000\n_cell_angle_beta 89.76951000\n_cell_angle_gamma 101.38239000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.70756459\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.15936153 0.48440034 0.56840406 1\n C C1 1 0.73244994 0.64984822 0.15530375 1\n C C2 1 0.16161577 0.48406721 1.08656497 1\n C C3 1 0.73039676 0.65019728 0.49886381 1\n C C4 1 0.08900383 0.33267124 0.82712484 1\n C C5 1 0.08870333 0.31855873 0.32712238 1\n C C6 1 0.93690446 0.06441556 0.32654287 1\n C C7 1 0.86009195 -0.07659584 0.57258913 1\n C C8 1 -0.06257271 1.05771640 0.82660040 1\n C C9 1 0.86180604 0.92281385 0.08039588 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52439000\n_cell_length_b 4.66412000\n_cell_length_c 4.97190000\n_cell_angle_alpha 83.88997000\n_cell_angle_beta 89.99008000\n_cell_angle_gamma 90.06820000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.20685110\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15031078 0.10616887 0.84407517 1\n C C1 1 0.64824136 0.31176893 0.30782736 1\n C C2 1 0.64792394 0.45322735 0.52538077 1\n C C3 1 0.64851459 0.77743951 0.54608040 1\n C C4 1 1.14948843 0.65876299 0.98906613 1\n C C5 1 0.64993625 -0.01281643 0.28701274 1\n C C6 1 0.15057983 0.93574099 0.12572491 1\n C C7 1 -0.35141573 0.47921519 0.03069543 1\n C C8 1 0.64983623 0.28582500 0.80244430 1\n C C9 1 0.14916910 0.82947699 0.70728148 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50576000\n_cell_length_b 4.83681000\n_cell_length_c 5.44826000\n_cell_angle_alpha 76.19155000\n_cell_angle_beta 62.58000000\n_cell_angle_gamma 58.79086000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.13136281\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18062612 -0.03263200 0.92510675 1\n C C1 1 0.21581676 0.75917017 0.59802217 1\n C C2 1 1.00822456 0.46747123 0.09745117 1\n C C3 1 0.71644379 0.25892507 0.09768733 1\n C C4 1 0.88905311 0.75884442 -0.07509290 1\n C C5 1 0.68045403 0.46783016 0.42480538 1\n C C6 1 0.50717751 0.96785408 0.59822391 1\n C C7 1 0.38870492 0.25920808 0.42508238 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39796000\n_cell_length_b 4.13269000\n_cell_length_c 6.98384000\n_cell_angle_alpha 70.96380000\n_cell_angle_beta 101.43986000\n_cell_angle_gamma 69.88416000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.55327892\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42243754 0.08562384 0.12215948 1\n C C1 1 0.25724223 0.54319154 0.66387468 1\n C C2 1 0.19567545 0.19156057 0.73109752 1\n C C3 1 0.75132622 0.69480061 0.12881132 1\n C C4 1 0.80955335 0.89375141 0.57365993 1\n C C5 1 0.59418569 0.50442704 0.84704187 1\n C C6 1 0.38747980 0.55921612 0.47012298 1\n C C7 1 0.56190591 0.85062263 0.37608693 1\n C C8 1 0.45785340 0.48611336 0.03959923 1\n C C9 1 0.98378520 -0.20802302 0.97238908 1\n C C10 1 0.85499505 0.25124873 0.52878492 1\n C C11 1 0.96859658 0.53381175 0.36382083 1\n C C12 1 0.64167315 0.86015918 0.76840944 1\n C C13 1 0.03305824 1.15472213 0.92699851 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47481000\n_cell_length_b 4.16002000\n_cell_length_c 6.89420000\n_cell_angle_alpha 107.57318000\n_cell_angle_beta 100.35856000\n_cell_angle_gamma 89.99018000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.45145843\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86319347 0.12937899 0.56311528 1\n C C1 1 0.52587685 0.91900941 0.88814314 1\n C C2 1 0.64362773 0.40936550 0.12643634 1\n C C3 1 0.86307896 0.75499827 0.56312726 1\n C C4 1 -0.02700187 0.36833664 0.78484203 1\n C C5 1 1.19670964 -0.03918899 0.23064362 1\n C C6 1 0.30668728 0.57431890 0.45243685 1\n C C7 1 0.19665527 0.59055780 0.23043659 1\n C C8 1 0.30679818 0.19955944 0.45256474 1\n C C9 1 -0.35648197 0.03755228 0.12628983 1\n C C10 1 -0.02696623 0.73690849 0.78466131 1\n C C11 1 0.52568649 0.28938557 0.88811860 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50156000\n_cell_length_b 7.11665000\n_cell_length_c 5.95119000\n_cell_angle_alpha 99.24097000\n_cell_angle_beta 89.80366000\n_cell_angle_gamma 87.86511000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 104.49505310\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46769971 0.64515142 0.49785003 1\n C C1 1 0.42263570 0.54670414 0.10219235 1\n C C2 1 0.47586545 0.12190163 0.55018404 1\n C C3 1 0.89918244 0.67434060 0.12370992 1\n C C4 1 0.97762034 0.18847762 0.11739224 1\n C C5 1 0.51980396 -0.02379982 0.33628076 1\n C C6 1 0.96799386 0.84059985 0.00384044 1\n C C7 1 0.44557051 0.39969986 0.88802308 1\n C C8 1 -0.03598865 0.74106218 0.57805615 1\n C C9 1 1.00898738 -0.00043959 0.19187956 1\n C C10 1 -0.28621601 0.78065401 0.36364256 1\n C C11 1 -0.03172390 -0.09897432 0.77759325 1\n C C12 1 0.45340513 0.46229042 0.32643917 1\n C C13 1 0.46638249 0.03169256 0.76712559 1\n C C14 1 -0.03720707 0.34217287 0.33327554 1\n C C15 1 0.46962147 0.19647506 0.97335085 1\n C C16 1 0.96372063 0.24768392 0.55047215 1\n C C17 1 0.94969956 0.38971280 0.75903884 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.13651000\n_cell_length_b 5.52990000\n_cell_length_c 4.91829000\n_cell_angle_alpha 106.53524000\n_cell_angle_beta 96.12876000\n_cell_angle_gamma 103.49895000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 103.04519406\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41429344 0.85764023 0.86322754 1\n C C1 1 0.89708532 0.24465049 0.95307580 1\n C C2 1 -0.05056602 0.00193777 0.26044810 1\n C C3 1 0.72889404 0.30173070 0.73398458 1\n C C4 1 0.20577958 0.62783974 -0.11338328 1\n C C5 1 0.25972761 0.93301288 0.64156074 1\n C C6 1 0.26087610 0.20684097 0.36313472 1\n C C7 1 0.74199102 0.59770816 0.45717871 1\n C C8 1 0.41553284 0.42953696 0.28858754 1\n C C9 1 0.89550684 0.52472082 0.68224501 1\n C C10 1 0.74262690 1.02206471 1.02822132 1\n C C11 1 0.42665162 0.15429748 0.58669784 1\n C C12 1 0.95030570 0.82819811 0.43593304 1\n C C13 1 0.20774002 0.45184068 0.05920346 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45729000\n_cell_length_b 5.61842000\n_cell_length_c 4.69393000\n_cell_angle_alpha 52.13756000\n_cell_angle_beta 47.31755000\n_cell_angle_gamma 55.68751000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.17630245\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37666917 0.56679544 0.80686371 1\n C C1 1 0.36918581 0.59349875 0.27570160 1\n C C2 1 0.46949570 0.43158852 0.59579713 1\n C C3 1 0.66627626 0.07765956 0.35131006 1\n C C4 1 0.18015104 0.91081840 0.71821998 1\n C C5 1 0.17925562 0.92074547 0.05137453 1\n C C6 1 0.47688693 0.40494844 0.12698504 1\n C C7 1 0.66520596 0.08754612 0.68440485 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48114000\n_cell_length_b 8.54851000\n_cell_length_c 6.01468000\n_cell_angle_alpha 69.22427000\n_cell_angle_beta 104.80117000\n_cell_angle_gamma 102.68493000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 114.13884411\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33520496 0.77674760 0.88173115 1\n C C1 1 0.85883426 0.99845230 0.23106365 1\n C C2 1 0.86551629 0.39123115 0.37571865 1\n C C3 1 0.58149354 0.43617328 0.92360934 1\n C C4 1 0.75826659 0.47375870 0.53589761 1\n C C5 1 0.79756133 0.51674794 0.12627344 1\n C C6 1 0.03927592 0.50051388 0.77121582 1\n C C7 1 0.20240002 0.68733101 0.69453864 1\n C C8 1 0.87701443 0.88065349 0.84553560 1\n C C9 1 0.59996779 0.64810771 0.36863789 1\n C C10 1 0.94114128 0.17138828 0.09537038 1\n C C11 1 0.38385402 0.31303139 0.49120283 1\n C C12 1 1.21113111 0.73736715 0.42968834 1\n C C13 1 0.32998644 0.91684852 0.29281544 1\n C C14 1 0.38079084 0.62538571 0.12012514 1\n C C15 1 0.39420322 0.13884800 0.64828509 1\n C C16 1 0.87851893 0.05147449 0.71279412 1\n C C17 1 0.46598523 0.25259770 1.03182816 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60982000\n_cell_length_b 3.64860000\n_cell_length_c 5.53779000\n_cell_angle_alpha 109.27787000\n_cell_angle_beta 119.20516000\n_cell_angle_gamma 90.02560000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.60439886\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12435593 0.50636349 0.99579429 1\n C C1 1 0.31487998 0.90965584 0.18668591 1\n C C2 1 0.31491991 0.29445418 0.18661941 1\n C C3 1 0.62359790 0.56400330 0.49485828 1\n C C4 1 0.81405893 0.35168625 0.68538578 1\n C C5 1 0.62337124 0.94851714 0.49456194 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48752000\n_cell_length_b 3.51842000\n_cell_length_c 4.30452000\n_cell_angle_alpha 65.87761000\n_cell_angle_beta 106.80624000\n_cell_angle_gamma 89.99898000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61274981\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57459718 0.57240051 0.96762934 1\n C C1 1 0.40819467 0.48846585 0.63457896 1\n C C2 1 0.07474114 0.82183577 -0.03208919 1\n C C3 1 0.24133442 0.90571682 0.30096940 1\n C C4 1 0.74145743 0.15514955 0.30123890 1\n C C5 1 -0.09194929 0.23903059 0.63429749 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50253000\n_cell_length_b 6.32990000\n_cell_length_c 6.82692000\n_cell_angle_alpha 61.00747000\n_cell_angle_beta 81.96181000\n_cell_angle_gamma 57.65781000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.86603509\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.25400676 0.73565930 -0.06522995 1\n C C1 1 0.72280590 0.08969808 0.45961232 1\n C C2 1 0.74203749 0.52773290 0.17154914 1\n C C3 1 -0.23001009 0.41479743 0.57041378 1\n C C4 1 0.16402215 0.56242250 0.82296546 1\n C C5 1 0.35926040 0.09314798 1.04753350 1\n C C6 1 0.44292125 -0.08754781 0.47794395 1\n C C7 1 0.57206771 1.00110922 0.87004863 1\n C C8 1 0.45291526 0.65196162 0.32452690 1\n C C9 1 0.61109493 0.26549469 0.03071580 1\n C C10 1 0.67764860 0.83665746 0.28606972 1\n C C11 1 0.49747139 0.21878663 0.62509504 1\n C C12 1 0.46688376 0.34148060 0.21831743 1\n C C13 1 0.64407010 0.60960140 0.68078309 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48305000\n_cell_length_b 3.84582000\n_cell_length_c 4.48883000\n_cell_angle_alpha 89.90035000\n_cell_angle_beta 56.42093000\n_cell_angle_gamma 89.97596000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.71216076\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02753779 0.18944899 0.74249544 1\n C C1 1 0.70135275 0.18891864 0.51354631 1\n C C2 1 0.70505119 0.89482689 1.01005757 1\n C C3 1 -0.03131353 0.48406221 0.24607581 1\n C C4 1 0.70542361 0.48442553 1.00936582 1\n C C5 1 -0.03160443 0.89443093 0.24669006 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45939000\n_cell_length_b 7.09478000\n_cell_length_c 8.60230000\n_cell_angle_alpha 94.18834000\n_cell_angle_beta 89.91188000\n_cell_angle_gamma 110.23094000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 140.41861319\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09204560 0.53989085 0.57743291 1\n C C1 1 0.42239701 0.37215123 0.18400920 1\n C C2 1 0.56251037 1.01815515 0.78128290 1\n C C3 1 0.37658167 0.32786760 0.73563910 1\n C C4 1 0.48848319 0.94575392 0.94790445 1\n C C5 1 0.95725549 0.91232782 0.70982192 1\n C C6 1 0.75805194 0.70914403 0.78950706 1\n C C7 1 0.02087109 0.97791005 0.21683896 1\n C C8 1 0.46218982 -0.08034173 0.45657120 1\n C C9 1 0.55998858 0.51448437 0.06520510 1\n C C10 1 0.58380432 0.53299112 0.66951966 1\n C C11 1 0.78231763 0.23393305 0.75545699 1\n C C12 1 0.03689443 0.48266224 0.42067955 1\n C C13 1 1.21603030 0.17415536 0.14600494 1\n C C14 1 0.04402439 0.00197549 1.03682318 1\n C C15 1 -0.04943535 0.90779469 0.53732861 1\n C C16 1 0.50799002 0.45297318 0.34418090 1\n C C17 1 0.27019572 0.72199688 0.89112797 1\n C C18 1 0.47761773 0.93552029 0.29597244 1\n C C19 1 0.12625423 0.58015821 0.01236446 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28671000\n_cell_length_b 3.28707000\n_cell_length_c 4.79950000\n_cell_angle_alpha 72.68090000\n_cell_angle_beta 73.06735000\n_cell_angle_gamma 98.13669000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.85258169\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55198512 -0.01875777 0.77217802 1\n C C1 1 0.91287939 0.30077808 0.09176654 1\n C C2 1 0.19176744 0.62070405 0.77191208 1\n C C3 1 0.55198512 0.48124223 0.27217802 1\n C C4 1 0.55198669 0.44041530 0.59194181 1\n C C5 1 0.19176744 0.12070405 0.27191208 1\n C C6 1 -0.08712061 0.80077808 0.59176654 1\n C C7 1 0.55198669 0.94041530 0.09194181 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46561000\n_cell_length_b 3.32871000\n_cell_length_c 7.34268000\n_cell_angle_alpha 99.41603000\n_cell_angle_beta 116.58633000\n_cell_angle_gamma 104.37049000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.51135277\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85660996 0.08666120 0.67354145 1\n C C1 1 0.14512606 0.12377075 0.88002391 1\n C C2 1 0.29847369 0.64988510 0.17009417 1\n C C3 1 0.87267827 0.92136711 0.16825460 1\n C C4 1 0.70362206 0.55940580 0.38337686 1\n C C5 1 0.83594904 1.18268995 1.00922674 1\n C C6 1 0.16591838 0.02741237 0.54433471 1\n C C7 1 0.12899925 0.28806201 0.38513016 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48785000\n_cell_length_b 4.30478000\n_cell_length_c 4.30377000\n_cell_angle_alpha 80.41333000\n_cell_angle_beta 89.98338000\n_cell_angle_gamma 73.17367000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.44628003\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15475455 1.01133581 0.24451846 1\n C C1 1 0.09299267 1.13624099 0.55731031 1\n C C2 1 0.90486972 0.51134157 0.49458411 1\n C C3 1 0.34306846 0.63622554 0.30737445 1\n C C4 1 0.40463320 0.51132266 0.99458312 1\n C C5 1 0.84282719 0.63622608 0.80737237 1\n C C6 1 0.59290682 0.13621866 0.05730959 1\n C C7 1 0.65475098 1.01133848 0.74451559 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43208000\n_cell_length_b 6.37808000\n_cell_length_c 6.43599000\n_cell_angle_alpha 55.74122000\n_cell_angle_beta 91.18567000\n_cell_angle_gamma 90.12030000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 82.49086900\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69712434 0.64396445 0.53513100 1\n C C1 1 0.70969034 0.83186349 1.02353620 1\n C C2 1 0.20396973 0.22566519 0.75559009 1\n C C3 1 1.20938357 0.47914523 0.08464878 1\n C C4 1 0.20043675 0.51175584 0.60550037 1\n C C5 1 0.71068450 0.10174876 0.92931117 1\n C C6 1 0.20930882 0.71348554 1.05395725 1\n C C7 1 0.69810076 1.04974008 0.54411762 1\n C C8 1 0.69665365 -0.07515848 0.40510328 1\n C C9 1 0.71049107 0.11624040 0.14865753 1\n C C10 1 0.20068762 0.11749598 0.59788302 1\n C C11 1 0.70886105 0.36603793 0.10037530 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.16365000\n_cell_length_b 3.29899000\n_cell_length_c 5.01413000\n_cell_angle_alpha 67.16391000\n_cell_angle_beta 68.04577000\n_cell_angle_gamma 68.71022000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.25333942\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53841624 0.38532405 0.40290607 1\n C C1 1 0.15442939 0.76664014 0.40304944 1\n C C2 1 0.80028252 0.41649702 1.09817211 1\n C C3 1 0.58788299 0.82254119 0.90348997 1\n C C4 1 0.18326404 0.03435677 0.09815075 1\n C C5 1 0.75018452 0.97886382 0.59764635 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48777000\n_cell_length_b 4.30354000\n_cell_length_c 4.30542000\n_cell_angle_alpha 109.46200000\n_cell_angle_beta 90.00002000\n_cell_angle_gamma 90.00012000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.46103223\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76754268 0.12176642 0.47808043 1\n C C1 1 0.26748101 1.12176365 0.97807992 1\n C C2 1 0.76736370 0.74672604 0.35292999 1\n C C3 1 0.76748152 0.24672047 0.85300867 1\n C C4 1 0.26742537 0.74672881 0.85293051 1\n C C5 1 0.26736401 0.62176870 0.47799991 1\n C C6 1 1.26754237 0.24672376 0.35301052 1\n C C7 1 -0.23257514 0.62177200 0.97800176 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52542000\n_cell_length_b 4.75593000\n_cell_length_c 4.87939000\n_cell_angle_alpha 66.72831000\n_cell_angle_beta 116.74196000\n_cell_angle_gamma 112.48137000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.55946461\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52060021 0.36798553 0.32332633 1\n C C1 1 0.66734756 0.71770744 0.14379623 1\n C C2 1 0.39046184 0.73167050 0.77605542 1\n C C3 1 0.29453256 0.38823466 0.79837502 1\n C C4 1 0.34643510 0.20373873 0.08630708 1\n C C5 1 0.09765368 0.25916863 0.52977582 1\n C C6 1 0.83564422 0.89306115 0.59650767 1\n C C7 1 0.37869454 0.87328396 0.23679292 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05395000\n_cell_length_b 2.43011000\n_cell_length_c 5.91902000\n_cell_angle_alpha 100.27660000\n_cell_angle_beta 85.02460000\n_cell_angle_gamma 86.93026000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.95318564\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60022753 0.76397692 0.65154892 1\n C C1 1 0.15832393 0.98577541 0.09685801 1\n C C2 1 0.93356087 0.09731026 0.31821559 1\n C C3 1 0.49165727 0.31910874 0.76352468 1\n C C4 1 0.26689420 0.43064359 0.98488225 1\n C C5 1 0.82499060 0.65244208 0.43019135 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48138000\n_cell_length_b 3.68780000\n_cell_length_c 4.21920000\n_cell_angle_alpha 104.93535000\n_cell_angle_beta 89.96741000\n_cell_angle_gamma 109.63246000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97890584\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50706618 0.54413207 0.48055195 1\n C C1 1 0.24828190 0.02997204 0.90898271 1\n C C2 1 0.70498227 0.94183349 0.40474819 1\n C C3 1 0.28322526 0.09842095 0.27396099 1\n C C4 1 0.82664261 0.18728923 0.77853812 1\n C C5 1 1.02733588 0.58455361 0.70263885 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.21131000\n_cell_length_b 4.21112000\n_cell_length_c 5.59197000\n_cell_angle_alpha 96.00061000\n_cell_angle_beta 96.01130000\n_cell_angle_gamma 120.06191000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 83.92603939\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82508139 -0.00554877 0.18807058 1\n C C1 1 0.68550215 0.17984391 0.68734956 1\n C C2 1 0.49174806 0.32778457 0.18807058 1\n C C3 1 0.35106484 0.84543082 0.68407845 1\n C C4 1 0.49038696 0.65977528 0.18387008 1\n C C5 1 0.82372029 0.32644194 0.18387008 1\n C C6 1 0.68439817 0.51209748 0.68407845 1\n C C7 1 0.35216882 0.51317724 0.68734956 1\n C C8 1 0.15841472 0.66111790 0.18807058 1\n C C9 1 0.15705362 -0.00689139 0.18387008 1\n C C10 1 0.01883549 0.84651058 0.68734956 1\n C C11 1 0.01773150 0.17876415 0.68407845 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46008000\n_cell_length_b 4.54297000\n_cell_length_c 7.11567000\n_cell_angle_alpha 69.52437000\n_cell_angle_beta 69.80979000\n_cell_angle_gamma 74.28198000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.89558682\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97224006 1.15468228 0.04322756 1\n C C1 1 0.82626632 0.52954189 1.00147241 1\n C C2 1 0.62555623 0.57601056 0.67886780 1\n C C3 1 0.21454186 0.67081260 0.54171882 1\n C C4 1 0.22965009 0.05625770 0.83420979 1\n C C5 1 0.77497065 0.20683338 0.71413280 1\n C C6 1 0.58181156 0.64355962 0.18892069 1\n C C7 1 0.37820740 0.68043191 0.87374739 1\n C C8 1 0.20714116 0.98182845 0.39459391 1\n C C9 1 0.46019680 0.45148683 0.40520599 1\n C C10 1 0.42799641 0.99417608 0.16913089 1\n C C11 1 0.99070977 0.24592901 0.47735835 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45980000\n_cell_length_b 4.54577000\n_cell_length_c 6.67900000\n_cell_angle_alpha 74.17437000\n_cell_angle_beta 89.97368000\n_cell_angle_gamma 74.27827000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.94589046\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.13347658 0.29962615 0.10890504 1\n C C1 1 0.30145289 0.42421067 0.38283446 1\n C C2 1 0.69975440 0.62976150 0.31042594 1\n C C3 1 0.41215007 0.20532560 0.24562391 1\n C C4 1 0.34371153 0.34556839 0.78684141 1\n C C5 1 0.91945642 0.19470010 0.91459788 1\n C C6 1 0.56504594 0.89443905 0.39244182 1\n C C7 1 0.39672401 0.23173594 0.59910326 1\n C C8 1 0.15313745 0.72104593 0.74376088 1\n C C9 1 0.57167137 0.88150656 0.61790396 1\n C C10 1 0.68365389 0.66836615 0.07336051 1\n C C11 1 0.10834310 0.81908068 0.95345592 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49656000\n_cell_length_b 6.14278000\n_cell_length_c 5.58649000\n_cell_angle_alpha 50.16122000\n_cell_angle_beta 63.44618000\n_cell_angle_gamma 66.02441000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.94060366\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65869699 0.32058542 0.99227754 1\n C C1 1 0.51652709 0.46221364 0.49468992 1\n C C2 1 0.70070762 0.64677850 0.12527552 1\n C C3 1 0.82767702 0.00296429 0.14029946 1\n C C4 1 0.97219064 0.37421388 0.12554876 1\n C C5 1 0.14672208 0.83375853 0.99187149 1\n C C6 1 -0.17115406 0.51631056 0.62769780 1\n C C7 1 0.34361968 0.00270510 0.62728564 1\n C C8 1 0.78936864 0.18949732 0.49466339 1\n C C9 1 0.65829999 0.83401035 0.47815601 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30427000\n_cell_length_b 3.30350000\n_cell_length_c 5.20386000\n_cell_angle_alpha 64.89675000\n_cell_angle_beta 84.38434000\n_cell_angle_gamma 100.27815000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.64333135\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26646882 0.63319856 0.48541658 1\n C C1 1 0.68179863 0.89375833 0.77100198 1\n C C2 1 0.12886357 0.19129303 0.02584256 1\n C C3 1 0.80132343 0.86456249 0.02614953 1\n C C4 1 0.35489843 0.56725035 0.77105761 1\n C C5 1 0.22131601 0.12452951 0.31097281 1\n C C6 1 0.90297325 0.26992104 0.48560509 1\n C C7 1 0.58499275 0.48733269 0.31110724 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51651000\n_cell_length_b 5.39338000\n_cell_length_c 4.75669000\n_cell_angle_alpha 88.84132000\n_cell_angle_beta 74.67434000\n_cell_angle_gamma 102.56704000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.56507155\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42004659 0.22012940 0.01080295 1\n C C1 1 0.54605223 -0.01234262 0.54000328 1\n C C2 1 0.62940383 0.87018693 0.25863741 1\n C C3 1 0.55108264 0.63262709 0.16060374 1\n C C4 1 0.84990019 0.05643686 0.00032274 1\n C C5 1 0.71871255 0.64443609 0.85022978 1\n C C6 1 0.72363683 0.28795403 0.47135312 1\n C C7 1 0.91988731 0.91328976 0.72305701 1\n C C8 1 0.34984915 0.36260520 0.28802644 1\n C C9 1 0.64104078 0.40654046 0.75268013 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48470000\n_cell_length_b 4.78144000\n_cell_length_c 6.81470000\n_cell_angle_alpha 43.31822000\n_cell_angle_beta 56.88952000\n_cell_angle_gamma 58.68123000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45739364\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49946614 0.52270665 0.57150692 1\n C C1 1 0.16179477 0.38874967 0.88583167 1\n C C2 1 0.70869773 0.12581417 0.02984919 1\n C C3 1 0.64622092 0.22019583 0.34194875 1\n C C4 1 0.74884656 0.62951210 1.00092786 1\n C C5 1 0.12216315 -0.11474098 0.91463975 1\n C C6 1 0.37120101 -0.00808625 0.34409666 1\n C C7 1 0.22407451 0.29456909 0.57373460 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47504000\n_cell_length_b 3.72215000\n_cell_length_c 4.24875000\n_cell_angle_alpha 115.96836000\n_cell_angle_beta 90.00142000\n_cell_angle_gamma 89.99899000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18960135\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55747054 0.26125430 0.98852050 1\n C C1 1 0.55703237 0.69624849 0.26672762 1\n C C2 1 0.05647116 0.65002598 0.76598191 1\n C C3 1 0.55648025 0.85348692 -0.01103685 1\n C C4 1 0.05701403 0.80692219 0.48809318 1\n C C5 1 0.05740915 0.24209542 0.76613324 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45423000\n_cell_length_b 4.38633000\n_cell_length_c 4.25836000\n_cell_angle_alpha 73.41690000\n_cell_angle_beta 89.08322000\n_cell_angle_gamma 89.57737000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.92900415\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60582204 0.00017977 0.78071285 1\n C C1 1 -0.06647180 0.48495474 0.87962505 1\n C C2 1 0.57723334 0.00054934 0.14639419 1\n C C3 1 1.08205495 0.83571037 0.69668622 1\n C C4 1 0.42949902 0.36509884 0.08993680 1\n C C5 1 0.10895880 0.83477150 0.33123005 1\n C C6 1 0.26135950 0.47011106 0.38939068 1\n C C7 1 0.75747365 0.35051088 0.59971256 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46111000\n_cell_length_b 3.35624000\n_cell_length_c 4.48551000\n_cell_angle_alpha 111.95728000\n_cell_angle_beta 84.62722000\n_cell_angle_gamma 104.48172000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.27130298\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74994569 0.01208570 0.16381529 1\n C C1 1 0.04057158 0.42621923 0.72008397 1\n C C2 1 0.24976158 0.90636743 0.95318768 1\n C C3 1 -0.04074414 0.49179387 0.39722849 1\n C C4 1 0.54060517 0.76519207 0.39725973 1\n C C5 1 0.45907063 0.15271610 0.72005342 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42008000\n_cell_length_b 4.87118000\n_cell_length_c 5.28163000\n_cell_angle_alpha 82.08554000\n_cell_angle_beta 95.80107000\n_cell_angle_gamma 52.56383000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.26505370\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31327879 0.60134115 0.25383769 1\n C C1 1 0.02317903 0.44940272 0.60840653 1\n C C2 1 0.50638629 0.55265247 -0.00268435 1\n C C3 1 -0.08889019 0.18044559 0.02670137 1\n C C4 1 0.63319965 0.81101224 0.90728596 1\n C C5 1 0.05176406 0.67472873 0.76952255 1\n C C6 1 1.10539860 0.13142882 0.77055835 1\n C C7 1 0.78528005 0.92160358 0.11802700 1\n C C8 1 0.97184789 -0.02251336 0.58731698 1\n C C9 1 0.36619081 0.05872872 0.25488825 1\n C C10 1 0.44676868 0.75556303 0.43666364 1\n C C11 1 0.39644725 0.28304691 0.41725682 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33228000\n_cell_length_b 5.18940000\n_cell_length_c 6.73420000\n_cell_angle_alpha 62.74768000\n_cell_angle_beta 85.31337000\n_cell_angle_gamma 81.93007000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 102.47986978\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00700842 0.18145195 0.40240446 1\n C C1 1 0.32445642 0.62038529 0.78080202 1\n C C2 1 -0.28372436 0.87178004 0.88547906 1\n C C3 1 0.30755282 0.18859860 0.55996505 1\n C C4 1 0.01805535 0.33657656 0.14780725 1\n C C5 1 -0.04594730 0.32848166 0.66412372 1\n C C6 1 0.61466432 0.64577207 0.28738654 1\n C C7 1 0.40457992 0.42289960 0.02283111 1\n C C8 1 0.84589590 -0.11525161 0.49229649 1\n C C9 1 0.66871492 0.35956112 0.47910310 1\n C C10 1 0.52871200 0.88950226 0.68703624 1\n C C11 1 1.07611600 0.60142938 0.64331976 1\n C C12 1 0.66245207 0.60094516 0.08599969 1\n C C13 1 0.76154992 0.16158041 0.08256286 1\n C C14 1 0.83697331 0.10686735 0.88644682 1\n C C15 1 0.69798239 0.88960595 0.28880221 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45631000\n_cell_length_b 3.66389000\n_cell_length_c 6.42548000\n_cell_angle_alpha 105.72418000\n_cell_angle_beta 89.96570000\n_cell_angle_gamma 109.62355000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.16874441\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19973860 0.50859859 0.91849595 1\n C C1 1 0.46997332 0.05205897 0.34678853 1\n C C2 1 0.82192805 0.75446753 0.00515099 1\n C C3 1 -0.07870462 0.95352161 0.24091729 1\n C C4 1 0.19391368 0.49646954 0.67002728 1\n C C5 1 0.97314427 0.05930678 0.86665081 1\n C C6 1 0.56966125 0.24976130 0.58282352 1\n C C7 1 0.41707764 -0.05427954 0.72165282 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42503000\n_cell_length_b 5.27260000\n_cell_length_c 6.91507000\n_cell_angle_alpha 119.91255000\n_cell_angle_beta 100.62969000\n_cell_angle_gamma 90.62062000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 74.77349380\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72849189 0.92013435 0.51184639 1\n C C1 1 0.99825409 0.38620000 0.04458099 1\n C C2 1 0.79415330 0.78607777 0.64459601 1\n C C3 1 0.19684828 -0.01359017 0.44533375 1\n C C4 1 0.92897987 0.51987859 0.91105080 1\n C C5 1 0.32701736 0.71991701 0.71118407 1\n C C6 1 0.13180316 0.12059123 0.31247524 1\n C C7 1 0.59949285 0.18668741 0.24546847 1\n C C8 1 0.53220249 0.32046848 0.11197225 1\n C C9 1 0.39453132 0.58572793 -0.15606577 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48433000\n_cell_length_b 6.50459000\n_cell_length_c 4.77678000\n_cell_angle_alpha 49.70217000\n_cell_angle_beta 105.13521000\n_cell_angle_gamma 101.05481000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.80311595\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05346068 0.65572752 0.26619272 1\n C C1 1 0.91474156 0.79406606 0.84710589 1\n C C2 1 0.68745215 1.03209689 0.14956990 1\n C C3 1 0.78020372 0.58809891 0.78072958 1\n C C4 1 0.25345646 0.41594129 0.89929590 1\n C C5 1 0.27610160 0.11908771 0.23899793 1\n C C6 1 0.54908103 0.18661215 0.72455775 1\n C C7 1 0.64211283 0.74268264 0.35567244 1\n C C8 1 0.07544005 0.35878575 0.60570938 1\n C C9 1 0.41369112 0.98070738 0.65796841 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44079000\n_cell_length_b 5.95748000\n_cell_length_c 6.44880000\n_cell_angle_alpha 65.77923000\n_cell_angle_beta 79.09744000\n_cell_angle_gamma 65.79878000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.97639227\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54302420 0.39141163 0.15664404 1\n C C1 1 0.59135770 0.54432333 0.75156682 1\n C C2 1 0.09024534 0.29367868 0.25998296 1\n C C3 1 0.47163766 0.10058424 -0.12455032 1\n C C4 1 0.20575582 0.07690825 0.46229504 1\n C C5 1 -0.14880103 0.23935140 0.84319966 1\n C C6 1 0.04396143 0.66064293 0.61335093 1\n C C7 1 0.64164252 0.74303905 0.24629891 1\n C C8 1 0.38501028 0.64618447 0.95661817 1\n C C9 1 0.71626497 0.79780997 -0.00981229 1\n C C10 1 1.12526321 0.70222113 0.36295406 1\n C C11 1 0.78974391 -0.04749018 0.54089783 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47343000\n_cell_length_b 4.86701000\n_cell_length_c 5.54201000\n_cell_angle_alpha 67.62680000\n_cell_angle_beta 104.04351000\n_cell_angle_gamma 105.06773000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.56721660\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62076596 0.16407458 0.26040979 1\n C C1 1 0.37202115 0.69634282 0.14021885 1\n C C2 1 1.05081332 0.28354712 0.31967155 1\n C C3 1 0.33296434 1.04785993 0.46483989 1\n C C4 1 0.13642766 0.37944808 0.84836126 1\n C C5 1 0.10376989 0.85623184 0.87654482 1\n C C6 1 0.44434764 0.42862882 0.67546733 1\n C C7 1 0.46207636 1.08822931 0.72625256 1\n C C8 1 0.01499277 0.77585325 0.43312353 1\n C C9 1 0.20560716 0.55659628 0.39843336 1\n C C10 1 0.88136840 0.62383288 0.71368693 1\n C C11 1 0.86752745 1.05754793 0.90537711 1\n C C12 1 0.33527719 0.39411733 0.10627305 1\n C C13 1 0.72340150 0.92231533 0.17831558 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48684000\n_cell_length_b 2.48739000\n_cell_length_c 5.55981000\n_cell_angle_alpha 77.07879000\n_cell_angle_beta 102.91227000\n_cell_angle_gamma 89.98459000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62736047\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29465227 0.31727045 0.25413911 1\n C C1 1 0.21155918 0.90039361 0.08789278 1\n C C2 1 0.62798560 -0.01606289 0.92080578 1\n C C3 1 0.96131894 0.65060378 0.58747244 1\n C C4 1 0.87822584 0.23372695 0.42122611 1\n C C5 1 0.54489251 0.56706028 0.75455944 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.13337000\n_cell_length_b 4.38277000\n_cell_length_c 6.84991000\n_cell_angle_alpha 85.80142000\n_cell_angle_beta 95.15052000\n_cell_angle_gamma 65.52533000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 84.63559813\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13547776 0.37312268 0.21811660 1\n C C1 1 0.46884457 0.87315850 0.05143618 1\n C C2 1 0.13366617 0.03917207 0.88553079 1\n C C3 1 0.13356222 0.53917299 0.38554704 1\n C C4 1 0.80216707 0.37314695 0.88476419 1\n C C5 1 0.46697942 0.03913386 0.21886915 1\n C C6 1 0.13550033 -0.12688620 0.71810992 1\n C C7 1 0.80031514 0.53918796 0.05217984 1\n C C8 1 0.46697549 0.53915078 0.71886413 1\n C C9 1 0.80209818 0.87312813 0.38478397 1\n C C10 1 0.46877716 0.37313002 0.55145566 1\n C C11 1 0.80024129 0.03916608 0.55219542 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.53343000\n_cell_length_b 3.54196000\n_cell_length_c 10.55051000\n_cell_angle_alpha 99.08227000\n_cell_angle_beta 80.95070000\n_cell_angle_gamma 93.81182000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 128.64661344\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22416370 0.21476712 0.88620904 1\n C C1 1 0.25659280 0.67564072 0.22392886 1\n C C2 1 0.00603146 0.78243354 0.63728250 1\n C C3 1 -0.06761948 1.01965130 0.97009268 1\n C C4 1 0.93926038 0.19657785 0.09427673 1\n C C5 1 0.49874081 -0.05920450 0.80219957 1\n C C6 1 0.42125293 0.50542859 0.96989194 1\n C C7 1 0.76531910 0.18554849 0.22422046 1\n C C8 1 0.97287254 0.46930894 0.29649912 1\n C C9 1 0.29896841 0.64184768 0.71579463 1\n C C10 1 0.24407662 0.50053662 0.09408617 1\n C C11 1 0.41561682 0.02664942 0.43229578 1\n C C12 1 0.47850537 0.96311331 0.28915648 1\n C C13 1 0.91736999 0.52533884 0.42770212 1\n C C14 1 0.13612624 0.79831331 0.49777605 1\n C C15 1 0.01902193 0.42150551 0.80270337 1\n C C16 1 0.64366662 0.30682192 0.49757322 1\n C C17 1 -0.28291280 0.72220642 0.89468116 1\n C C18 1 0.79853640 0.14157533 0.71574631 1\n C C19 1 0.65821007 0.43483230 0.63718199 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49007000\n_cell_length_b 3.59141000\n_cell_length_c 4.35634000\n_cell_angle_alpha 95.68781000\n_cell_angle_beta 73.39732000\n_cell_angle_gamma 110.28804000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01780411\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81331927 0.03372872 0.92823618 1\n C C1 1 0.52699716 0.66373898 0.13405596 1\n C C2 1 0.63192132 0.29392842 0.55248523 1\n C C3 1 -0.07925716 0.66374844 0.34624337 1\n C C4 1 1.00209004 0.03394294 0.55239607 1\n C C5 1 0.44435557 0.29398219 0.92805438 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.67876000\n_cell_length_b 3.31675000\n_cell_length_c 7.29675000\n_cell_angle_alpha 72.78275000\n_cell_angle_beta 78.40773000\n_cell_angle_gamma 92.72006000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.76146592\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03894428 0.73562936 0.12052905 1\n C C1 1 0.62314168 0.02179437 0.69433988 1\n C C2 1 0.36729668 0.34148918 0.60521461 1\n C C3 1 0.16851546 0.49366796 0.98427308 1\n C C4 1 0.96797807 0.34492814 0.66631231 1\n C C5 1 0.56167107 0.72205329 0.89167323 1\n C C6 1 0.86025498 0.40632130 0.87791558 1\n C C7 1 0.25764737 1.07074317 0.12209706 1\n C C8 1 0.47345858 0.18857153 0.42138052 1\n C C9 1 0.57638231 0.78767124 0.54831374 1\n C C10 1 0.65373305 0.97114362 1.02389410 1\n C C11 1 -0.13189921 0.42646690 0.32543639 1\n C C12 1 -0.07054327 0.67820602 0.46365980 1\n C C13 1 0.16171353 0.10008801 0.33067736 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47805000\n_cell_length_b 4.28809000\n_cell_length_c 6.77955000\n_cell_angle_alpha 114.93663000\n_cell_angle_beta 90.00081000\n_cell_angle_gamma 90.00124000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.32421468\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96767815 0.32315286 0.32128420 1\n C C1 1 0.96839727 0.15552294 0.07046259 1\n C C2 1 -0.03144290 0.60196497 0.73968415 1\n C C3 1 0.46849354 0.71304499 0.65618576 1\n C C4 1 0.46769448 0.54599310 0.40531991 1\n C C5 1 0.46785140 0.82322358 0.32133623 1\n C C6 1 -0.03149555 0.76669135 0.98708757 1\n C C7 1 0.46848850 0.26667720 0.98709294 1\n C C8 1 0.46871209 0.10195930 0.73970782 1\n C C9 1 0.46847229 0.65557828 0.07049288 1\n C C10 1 0.96868794 0.21310559 0.65626199 1\n C C11 1 0.96788280 0.04605745 0.40540817 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35237000\n_cell_length_b 3.40401000\n_cell_length_c 4.57982000\n_cell_angle_alpha 89.32999000\n_cell_angle_beta 111.43694000\n_cell_angle_gamma 92.08906000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.61470539\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68142237 0.91528339 0.90996636 1\n C C1 1 0.45313049 0.75987129 0.11516904 1\n C C2 1 0.03966605 0.61985540 0.59022753 1\n C C3 1 0.38099808 0.09407780 0.30588775 1\n C C4 1 0.94141649 0.26019439 1.09170461 1\n C C5 1 0.71556264 0.42713714 0.30554882 1\n C C6 1 0.33948530 -0.09278768 0.59108711 1\n C C7 1 1.01869217 0.60582787 0.90994469 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49076000\n_cell_length_b 4.06097000\n_cell_length_c 8.25048000\n_cell_angle_alpha 99.42498000\n_cell_angle_beta 72.53642000\n_cell_angle_gamma 90.04132000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.42762805\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70965138 0.49034747 0.77169148 1\n C C1 1 0.87488330 0.75864254 0.11048661 1\n C C2 1 0.39062833 0.78967276 0.59029590 1\n C C3 1 0.89330061 0.55514938 0.58727750 1\n C C4 1 0.19512477 0.45933113 0.29122804 1\n C C5 1 0.38249167 0.27744484 0.10151273 1\n C C6 1 0.43107794 0.91335066 1.05432769 1\n C C7 1 -0.04103607 0.40471785 1.02458424 1\n C C8 1 0.54222262 1.00704370 0.44163548 1\n C C9 1 0.20105716 0.97182955 0.78096895 1\n C C10 1 0.62475083 -0.15562505 0.85783677 1\n C C11 1 0.15288313 0.33596900 0.82842189 1\n C C12 1 0.69246176 0.69364659 0.29434573 1\n C C13 1 0.04435845 0.24173787 0.43941280 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48448000\n_cell_length_b 4.08709000\n_cell_length_c 4.67475000\n_cell_angle_alpha 83.31633000\n_cell_angle_beta 74.61085000\n_cell_angle_gamma 90.00309000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.43205095\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08625910 -0.00720530 0.66421345 1\n C C1 1 0.45708253 0.82329592 0.57804729 1\n C C2 1 0.24128420 0.28609816 0.00880645 1\n C C3 1 1.12807336 0.52880652 0.23512114 1\n C C4 1 -0.25730989 0.06145147 0.00622626 1\n C C5 1 0.39741948 0.46781880 0.69393801 1\n C C6 1 0.96917123 0.34875126 0.54999356 1\n C C7 1 0.62750179 0.75495667 0.23677324 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42579000\n_cell_length_b 4.15209000\n_cell_length_c 6.30264000\n_cell_angle_alpha 110.57452000\n_cell_angle_beta 79.18775000\n_cell_angle_gamma 89.74663000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.20560717\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24994543 0.81796760 0.04178550 1\n C C1 1 0.39781141 0.20385360 0.75157170 1\n C C2 1 0.59698827 0.60361619 0.35824323 1\n C C3 1 -0.26565321 -0.01116544 0.07282130 1\n C C4 1 0.27459810 0.44329665 0.99696692 1\n C C5 1 0.94808277 0.06013954 0.65195860 1\n C C6 1 0.71670186 0.36201899 0.11412822 1\n C C7 1 0.04749167 0.74738676 0.45734064 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43171000\n_cell_length_b 3.96223000\n_cell_length_c 4.66425000\n_cell_angle_alpha 95.90917000\n_cell_angle_beta 105.48933000\n_cell_angle_gamma 90.16291000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.05610729\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95231569 1.07336017 -0.02179655 1\n C C1 1 0.17268538 0.62547465 0.42042125 1\n C C2 1 0.50682556 -0.03887106 0.08872561 1\n C C3 1 0.83947419 0.29239407 0.75409237 1\n C C4 1 0.28533665 0.40589763 0.64419436 1\n C C5 1 0.61832494 0.73784634 0.31010557 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35019000\n_cell_length_b 3.40662000\n_cell_length_c 4.58065000\n_cell_angle_alpha 89.18821000\n_cell_angle_beta 111.46960000\n_cell_angle_gamma 92.10170000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.61792883\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81606958 0.15460999 0.31054628 1\n C C1 1 0.12041516 0.33512328 0.91548457 1\n C C2 1 0.15258317 0.84733527 0.31062801 1\n C C3 1 0.49470238 0.85825128 0.63075121 1\n C C4 1 0.79438726 0.14463190 0.63058805 1\n C C5 1 0.89500941 0.50105284 0.13024868 1\n C C6 1 0.38159478 1.00116732 1.10515334 1\n C C7 1 0.45472706 0.66787893 -0.08432233 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44851000\n_cell_length_b 4.09365000\n_cell_length_c 10.69864000\n_cell_angle_alpha 72.50991000\n_cell_angle_beta 62.71458000\n_cell_angle_gamma 89.97183000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 89.69829645\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37327692 -0.26893260 0.13352822 1\n C C1 1 0.30563231 0.52384398 0.91804438 1\n C C2 1 0.83295455 0.73192094 0.65581968 1\n C C3 1 0.88374611 0.73396393 0.87905720 1\n C C4 1 0.73198364 0.62067736 0.20418399 1\n C C5 1 0.25674557 0.88081691 0.69378086 1\n C C6 1 0.44006732 0.27082379 0.60207356 1\n C C7 1 0.69173915 -0.02296446 0.97520395 1\n C C8 1 0.23395553 0.18351764 0.95394342 1\n C C9 1 0.89010422 0.43994211 0.62687582 1\n C C10 1 0.42355440 0.41126833 0.36004787 1\n C C11 1 0.77349739 0.33529435 0.43534006 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43060000\n_cell_length_b 4.67068000\n_cell_length_c 3.91150000\n_cell_angle_alpha 83.47392000\n_cell_angle_beta 90.22924000\n_cell_angle_gamma 74.43460000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.47213203\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12957907 0.60922427 0.09239066 1\n C C1 1 0.35102307 0.16530357 0.64735822 1\n C C2 1 0.01799907 0.83166349 0.31456965 1\n C C3 1 0.68430256 0.49933973 -0.02032145 1\n C C4 1 0.79666087 0.27464489 0.76124729 1\n C C5 1 0.46315696 0.94179905 0.42697682 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45623000\n_cell_length_b 4.98185000\n_cell_length_c 9.80811000\n_cell_angle_alpha 63.46004000\n_cell_angle_beta 83.23325000\n_cell_angle_gamma 85.98489000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 106.60219321\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84238574 0.31382733 0.86793379 1\n C C1 1 0.65585255 0.51908155 0.50153926 1\n C C2 1 0.83987030 0.47226307 0.15028702 1\n C C3 1 -0.00597037 0.21263201 0.74271163 1\n C C4 1 0.23311249 0.01696042 0.11053582 1\n C C5 1 0.31276781 0.39337772 0.23091519 1\n C C6 1 0.18837786 0.73000511 0.66133878 1\n C C7 1 0.50978248 0.02839938 0.75621546 1\n C C8 1 0.38366465 0.73664532 0.90498422 1\n C C9 1 0.73054836 0.20333089 0.47390252 1\n C C10 1 0.26969769 0.22526484 0.38826145 1\n C C11 1 0.11904142 0.50468618 0.59403376 1\n C C12 1 0.84684699 0.72371994 -0.00276378 1\n C C13 1 0.66197692 0.77152801 0.34874529 1\n C C14 1 0.66118637 -0.07217803 0.63096685 1\n C C15 1 0.18928823 0.85071297 0.26792958 1\n C C16 1 0.77257548 1.03739472 1.02498489 1\n C C17 1 0.31492693 0.51173947 0.83765289 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46076000\n_cell_length_b 6.03627000\n_cell_length_c 3.39907000\n_cell_angle_alpha 109.51306000\n_cell_angle_beta 111.25940000\n_cell_angle_gamma 101.74326000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.21085742\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47604223 0.06108052 0.47995958 1\n C C1 1 0.71971358 0.33697835 0.69173755 1\n C C2 1 0.57674113 0.73960460 0.00229668 1\n C C3 1 -0.05286734 0.93466233 0.54705065 1\n C C4 1 0.10701029 0.86620668 0.93546241 1\n C C5 1 0.33324902 0.46370003 0.79208774 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48839000\n_cell_length_b 5.55890000\n_cell_length_c 4.30457000\n_cell_angle_alpha 130.19447000\n_cell_angle_beta 89.97269000\n_cell_angle_gamma 102.94694000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.48820421\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02640972 0.96672793 0.66066194 1\n C C1 1 0.27654884 0.46666313 0.41195332 1\n C C2 1 0.71339629 0.34160410 0.47432297 1\n C C3 1 0.77655568 0.46665577 0.91195327 1\n C C4 1 0.21340178 0.34157675 0.97431150 1\n C C5 1 -0.03674967 -0.15832373 0.22303163 1\n C C6 1 0.46325718 0.84166891 0.72303159 1\n C C7 1 0.52640423 -0.03324471 0.16067340 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42641000\n_cell_length_b 4.22635000\n_cell_length_c 4.87715000\n_cell_angle_alpha 88.12893000\n_cell_angle_beta 60.11683000\n_cell_angle_gamma 89.98729000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.33416061\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52721871 0.96228559 0.61016758 1\n C C1 1 0.11063202 0.46844891 0.52606065 1\n C C2 1 0.58583114 0.31159993 0.55098612 1\n C C3 1 0.17205832 0.81733851 0.46556420 1\n C C4 1 0.52261066 0.87743168 0.11598333 1\n C C5 1 0.17945934 0.90084778 0.95933232 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43007000\n_cell_length_b 6.02745000\n_cell_length_c 4.42324000\n_cell_angle_alpha 69.00830000\n_cell_angle_beta 80.63162000\n_cell_angle_gamma 99.34767000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.94236753\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41096556 0.74722880 0.77336142 1\n C C1 1 0.66089889 0.49682938 0.27330412 1\n C C2 1 0.24421838 0.58101108 0.10624772 1\n C C3 1 0.91109994 0.24729679 0.77334965 1\n C C4 1 -0.00604920 0.83048855 0.60621674 1\n C C5 1 0.16084421 0.99677972 0.27328177 1\n C C6 1 0.49390676 0.33058809 0.60624993 1\n C C7 1 0.74423286 0.08098530 0.10624026 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.72795000\n_cell_length_b 3.26657000\n_cell_length_c 4.54508000\n_cell_angle_alpha 90.07783000\n_cell_angle_beta 76.65717000\n_cell_angle_gamma 46.42541000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.18344311\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08550346 0.48551622 0.43233821 1\n C C1 1 0.47015511 0.42997610 0.73525898 1\n C C2 1 0.27562815 0.40506594 0.26633923 1\n C C3 1 0.97025099 1.05831391 0.23521036 1\n C C4 1 0.41477351 0.11361466 0.93232974 1\n C C5 1 0.60913454 0.13863954 0.40120906 1\n C C6 1 0.10912563 0.07038912 0.90107916 1\n C C7 1 0.77594043 0.47315421 0.76641176 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48306000\n_cell_length_b 2.48360000\n_cell_length_c 12.31508000\n_cell_angle_alpha 84.21668000\n_cell_angle_beta 84.22988000\n_cell_angle_gamma 59.96868000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.30513657\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90350448 0.46780587 0.63499123 1\n C C1 1 0.77947321 0.34366403 0.00829007 1\n C C2 1 0.62646599 0.18974125 0.46888347 1\n C C3 1 0.73738967 0.30226534 0.13263359 1\n C C4 1 0.67236592 1.22754671 0.34268079 1\n C C5 1 0.45969664 0.02384930 -0.03317728 1\n C C6 1 0.50457068 0.06088648 0.84231514 1\n C C7 1 0.18550186 -0.25843668 0.80090779 1\n C C8 1 1.22311756 0.78748915 0.67633665 1\n C C9 1 -0.05384863 0.50938456 0.51050412 1\n C C10 1 0.05696694 0.62184448 0.17449815 1\n C C11 1 0.01989449 0.57537040 0.30060059 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43117000\n_cell_length_b 4.20549000\n_cell_length_c 6.12045000\n_cell_angle_alpha 66.16238000\n_cell_angle_beta 90.35997000\n_cell_angle_gamma 90.01471000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.23760249\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55127815 0.81524097 0.41985694 1\n C C1 1 0.47159513 1.14677348 -0.07879574 1\n C C2 1 0.97158253 0.31485412 -0.08022563 1\n C C3 1 0.55129076 0.14716032 0.42128684 1\n C C4 1 1.05129076 0.64716032 0.42128684 1\n C C5 1 0.97159513 0.64677348 0.92120426 1\n C C6 1 1.05127815 0.31524097 0.41985694 1\n C C7 1 0.47158253 -0.18514588 0.91977437 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51781000\n_cell_length_b 3.31955000\n_cell_length_c 3.51752000\n_cell_angle_alpha 89.99980000\n_cell_angle_beta 120.05596000\n_cell_angle_gamma 89.99523000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.55278512\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73449963 0.07407600 -0.19101396 1\n C C1 1 0.27055358 -0.09337324 0.57708910 1\n C C2 1 0.96663074 0.23932514 0.57720172 1\n C C3 1 0.27048146 0.57393102 0.88110809 1\n C C4 1 1.03847941 0.73936539 1.11319995 1\n C C5 1 0.73485199 0.40666749 0.11328661 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48260000\n_cell_length_b 3.84325000\n_cell_length_c 3.74723000\n_cell_angle_alpha 90.00128000\n_cell_angle_beta 90.01077000\n_cell_angle_gamma 89.99739000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.75326674\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88586710 0.78911051 0.37278796 1\n C C1 1 0.88612835 0.08376046 0.64054636 1\n C C2 1 0.38609787 0.08371707 0.86927172 1\n C C3 1 0.38583819 0.37875299 0.13705475 1\n C C4 1 0.88595874 0.37877677 0.37284910 1\n C C5 1 0.38572544 0.78908799 0.13705912 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.71593000\n_cell_length_b 4.17089000\n_cell_length_c 4.81424000\n_cell_angle_alpha 74.25771000\n_cell_angle_beta 95.33229000\n_cell_angle_gamma 59.62876000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.51282431\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04996567 0.90948199 0.97257407 1\n C C1 1 0.45186281 0.50591188 0.16321630 1\n C C2 1 0.49123549 0.46963046 0.47153289 1\n C C3 1 0.89291410 0.06619446 0.66199218 1\n C C4 1 0.10630786 0.85257633 0.47087139 1\n C C5 1 0.83686527 0.12304288 0.16382399 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44979000\n_cell_length_b 5.71437000\n_cell_length_c 5.23006000\n_cell_angle_alpha 59.27092000\n_cell_angle_beta 89.97119000\n_cell_angle_gamma 90.01837000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.93563563\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08449996 0.90461488 1.09838215 1\n C C1 1 0.41508168 0.63018528 0.60884757 1\n C C2 1 0.91442207 0.45269879 0.66944656 1\n C C3 1 0.91314638 0.34139957 0.46702052 1\n C C4 1 0.41373639 0.17788547 0.17952017 1\n C C5 1 0.41278241 0.28903661 0.37766804 1\n C C6 1 0.41507231 0.86286088 0.28491292 1\n C C7 1 0.91406620 0.21932120 -0.00668123 1\n C C8 1 0.41682225 0.74238511 0.81010612 1\n C C9 1 0.91676938 0.79448241 -0.10029452 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46674000\n_cell_length_b 3.34360000\n_cell_length_c 6.12595000\n_cell_angle_alpha 68.14470000\n_cell_angle_beta 77.46151000\n_cell_angle_gamma 110.59491000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.22098776\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31378749 0.44191888 0.23644332 1\n C C1 1 0.30148207 0.62348696 0.44116008 1\n C C2 1 0.60509486 0.14541624 0.36099185 1\n C C3 1 0.62814832 0.79342424 0.96221535 1\n C C4 1 0.59271410 0.32668235 0.56552488 1\n C C5 1 0.27799716 -0.02921138 0.83916883 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05956000\n_cell_length_b 4.58871000\n_cell_length_c 4.84870000\n_cell_angle_alpha 107.22966000\n_cell_angle_beta 110.44154000\n_cell_angle_gamma 104.08012000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.16617200\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65429668 0.31137099 0.79646500 1\n C C1 1 0.15637182 -0.18883974 0.79676726 1\n C C2 1 1.15636624 0.81116452 0.29677176 1\n C C3 1 0.82594824 0.47702369 1.13075277 1\n C C4 1 0.82595651 0.47701729 0.63074972 1\n C C5 1 0.32404438 0.97720355 0.63052915 1\n C C6 1 0.32402559 0.97719891 0.13052224 1\n C C7 1 0.65428055 0.31136657 0.29645770 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42649000\n_cell_length_b 3.07993000\n_cell_length_c 5.69946000\n_cell_angle_alpha 91.36346000\n_cell_angle_beta 82.30739000\n_cell_angle_gamma 81.36892000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.69120888\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83236258 0.17345182 0.53437808 1\n C C1 1 0.60991545 0.61749936 0.97939000 1\n C C2 1 0.49908903 0.84004045 0.20101274 1\n C C3 1 0.16574646 0.50673177 -0.13230105 1\n C C4 1 -0.05678017 0.95087543 0.31274219 1\n C C5 1 0.27652026 0.28424427 0.64608843 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.80360000\n_cell_length_b 3.53672000\n_cell_length_c 3.62770000\n_cell_angle_alpha 100.54930000\n_cell_angle_beta 107.66841000\n_cell_angle_gamma 98.10913000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.69444603\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56857090 0.94791456 0.44602844 1\n C C1 1 0.76048366 0.14097577 0.23322381 1\n C C2 1 0.06680749 0.44864111 0.38572079 1\n C C3 1 0.26038088 0.64194354 0.79276894 1\n C C4 1 0.56670765 0.94743126 0.82612794 1\n C C5 1 0.25881501 0.64177795 0.17312559 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42955000\n_cell_length_b 4.20336000\n_cell_length_c 5.98441000\n_cell_angle_alpha 66.76573000\n_cell_angle_beta 89.83781000\n_cell_angle_gamma 89.98120000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.15777682\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45579067 0.86163650 0.55812811 1\n C C1 1 0.45564294 0.88279740 0.05696494 1\n C C2 1 0.95579222 0.36164636 0.55810228 1\n C C3 1 0.95563427 0.38277857 0.05698063 1\n C C4 1 0.45559016 0.55121099 0.05495747 1\n C C5 1 -0.04440319 0.05119590 0.05498170 1\n C C6 1 0.95574122 0.03005644 0.55614981 1\n C C7 1 0.45573962 0.53007423 0.55612166 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46424000\n_cell_length_b 3.58985000\n_cell_length_c 9.50058000\n_cell_angle_alpha 94.35827000\n_cell_angle_beta 82.53519000\n_cell_angle_gamma 69.90937000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.60215710\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45976714 1.02425047 0.44412131 1\n C C1 1 0.60907101 0.39269574 0.77746636 1\n C C2 1 0.87251208 -0.03077412 0.67370050 1\n C C3 1 0.34076937 0.10676184 0.60009323 1\n C C4 1 0.84744534 0.69754845 -0.00435023 1\n C C5 1 0.15614179 0.85753780 0.21682808 1\n C C6 1 0.03196505 0.20123818 0.12496931 1\n C C7 1 0.79570868 0.63638053 0.15900792 1\n C C8 1 0.61391163 0.13292945 0.02877069 1\n C C9 1 0.07395929 0.53401256 0.70459095 1\n C C10 1 0.02232951 0.97113987 0.37314114 1\n C C11 1 0.48642740 0.47667193 0.93759475 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.49110000\n_cell_length_b 4.85116000\n_cell_length_c 4.22659000\n_cell_angle_alpha 89.99742000\n_cell_angle_beta 52.69881000\n_cell_angle_gamma 65.78236000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.78620709\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12970302 0.76690806 0.86734199 1\n C C1 1 0.97656351 0.55244034 0.10345228 1\n C C2 1 0.81425052 0.10249024 0.18701711 1\n C C3 1 0.96755297 0.81693359 0.60801064 1\n C C4 1 0.12949334 0.26693541 0.52931654 1\n C C5 1 0.96739003 0.31695796 0.95090683 1\n C C6 1 -0.18553980 0.60246288 0.52504256 1\n C C7 1 0.97640057 0.05246471 0.44634846 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48701000\n_cell_length_b 2.48688000\n_cell_length_c 7.46026000\n_cell_angle_alpha 70.50646000\n_cell_angle_beta 90.00618000\n_cell_angle_gamma 89.99510000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.49608882\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05943341 0.04056714 0.66108239 1\n C C1 1 0.55942349 0.66516789 0.03642461 1\n C C2 1 0.55942349 0.16516789 0.53642461 1\n C C3 1 0.05940003 0.41516024 0.78642744 1\n C C4 1 0.05943341 0.54056714 0.16108239 1\n C C5 1 0.55945687 0.79057478 0.41107956 1\n C C6 1 0.05940003 0.91516024 0.28642744 1\n C C7 1 0.55945687 0.29057478 0.91107956 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35745000\n_cell_length_b 3.45763000\n_cell_length_c 5.88481000\n_cell_angle_alpha 82.08837000\n_cell_angle_beta 64.48379000\n_cell_angle_gamma 89.26286000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.98315914\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01838054 0.64895504 0.28860049 1\n C C1 1 0.49722615 0.15697310 0.26662423 1\n C C2 1 1.00127146 0.22729880 0.70933559 1\n C C3 1 0.43997432 0.84415718 0.13034227 1\n C C4 1 1.03787185 0.27088628 0.43611795 1\n C C5 1 0.97381045 0.58852690 0.82566769 1\n C C6 1 0.76528477 0.53163371 0.12411019 1\n C C7 1 0.70461544 0.96644964 0.43345930 1\n C C8 1 0.35002698 -0.09237475 0.70656318 1\n C C9 1 0.62364363 0.91346550 0.84650342 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.85213000\n_cell_length_b 3.09468000\n_cell_length_c 4.76592000\n_cell_angle_alpha 107.20011000\n_cell_angle_beta 58.05052000\n_cell_angle_gamma 91.81697000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.31610975\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19410988 0.21738620 0.34549529 1\n C C1 1 0.02783509 0.55249299 0.67809953 1\n C C2 1 0.02756319 0.05022645 0.17854560 1\n C C3 1 0.52783509 0.55249299 0.67809953 1\n C C4 1 0.52756319 1.05022645 0.17854560 1\n C C5 1 0.69410988 0.21738620 0.34549529 1\n C C6 1 0.69383798 0.71511965 0.84594135 1\n C C7 1 0.19383798 0.71511965 0.84594135 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41518000\n_cell_length_b 3.43012000\n_cell_length_c 4.25142000\n_cell_angle_alpha 89.73800000\n_cell_angle_beta 90.29747000\n_cell_angle_gamma 89.80191000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.80166908\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92940676 0.11768767 0.13188041 1\n C C1 1 0.59106570 0.92987990 0.62857089 1\n C C2 1 0.84215561 0.18234919 0.46622991 1\n C C3 1 0.65430109 0.84170369 0.96336851 1\n C C4 1 1.08953209 0.43052780 0.62880678 1\n C C5 1 0.34072499 0.68293091 0.46612808 1\n C C6 1 0.27602745 0.77108429 0.13142330 1\n C C7 1 -0.00065299 0.49548034 0.96316573 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48787000\n_cell_length_b 4.30468000\n_cell_length_c 4.30426000\n_cell_angle_alpha 109.47335000\n_cell_angle_beta 89.98176000\n_cell_angle_gamma 90.00952000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.45953367\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85175180 0.55035087 0.90789365 1\n C C1 1 0.35175180 0.05035087 0.90789365 1\n C C2 1 0.35175180 0.55035087 0.40789365 1\n C C3 1 0.85175180 0.42535002 0.53289451 1\n C C4 1 0.35175180 0.42535002 1.03289451 1\n C C5 1 0.85175180 0.92535002 0.03289451 1\n C C6 1 0.85175180 0.05035087 0.40789365 1\n C C7 1 0.35175180 0.92535002 0.53289451 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42661000\n_cell_length_b 4.22401000\n_cell_length_c 4.87491000\n_cell_angle_alpha 88.84840000\n_cell_angle_beta 60.10050000\n_cell_angle_gamma 89.99216000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.30570573\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71390899 0.24290353 0.54137479 1\n C C1 1 0.70873065 0.15769962 0.04665633 1\n C C2 1 0.64788593 0.80936806 1.10774066 1\n C C3 1 0.12249593 0.65261839 0.13273598 1\n C C4 1 0.06240501 0.30434196 0.19286999 1\n C C5 1 0.05706509 0.21887744 0.69784465 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48824000\n_cell_length_b 5.57354000\n_cell_length_c 9.15409000\n_cell_angle_alpha 70.44400000\n_cell_angle_beta 74.20557000\n_cell_angle_gamma 63.44002000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 105.86721490\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06547675 0.90329624 0.26053858 1\n C C1 1 1.02903953 0.53175736 0.16879234 1\n C C2 1 0.43256197 -0.05421400 0.35114560 1\n C C3 1 0.14854739 0.55471657 0.52457341 1\n C C4 1 0.61854831 0.35413588 0.75607154 1\n C C5 1 0.45118665 0.35264333 0.42578459 1\n C C6 1 0.50498307 0.72587439 0.49717700 1\n C C7 1 0.01438686 0.11658307 0.10100224 1\n C C8 1 -0.28159519 0.78920504 0.71979894 1\n C C9 1 0.15234356 0.58575200 -0.00908420 1\n C C10 1 0.72692365 0.13384751 0.86873373 1\n C C11 1 0.10822329 0.17018169 0.45148153 1\n C C12 1 0.39516678 0.58168924 0.25213326 1\n C C13 1 0.27047040 0.01620062 -0.05642210 1\n C C14 1 0.34557899 0.29382206 0.09244767 1\n C C15 1 1.58712299 0.72839612 0.91339283 1\n C C16 1 0.20650465 0.90275121 0.61840115 1\n C C17 1 0.04274475 0.48845966 0.69713029 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48134000\n_cell_length_b 3.68829000\n_cell_length_c 4.21713000\n_cell_angle_alpha 104.93137000\n_cell_angle_beta 89.95112000\n_cell_angle_gamma 109.63846000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96619162\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16037800 0.95720069 0.80188685 1\n C C1 1 0.64024105 0.91672079 0.57934422 1\n C C2 1 0.84129030 0.31415487 0.50357861 1\n C C3 1 0.41972528 0.47146530 0.37301870 1\n C C4 1 0.38397531 0.40286183 1.00821547 1\n C C5 1 -0.03770864 0.55940982 0.87732945 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43218000\n_cell_length_b 4.54574000\n_cell_length_c 6.31628000\n_cell_angle_alpha 63.01616000\n_cell_angle_beta 69.47594000\n_cell_angle_gamma 75.93886000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.98556204\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99578484 0.46482806 0.68547471 1\n C C1 1 0.49569960 0.96483548 0.43545839 1\n C C2 1 -0.00497345 0.79746455 0.01981245 1\n C C3 1 0.49528571 0.29738193 0.76963847 1\n C C4 1 0.49570337 0.96483364 0.93551448 1\n C C5 1 -0.00450910 0.46488088 1.18560848 1\n C C6 1 0.49503955 0.29744546 0.26971358 1\n C C7 1 0.99515077 0.79742831 0.51969814 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.02331000\n_cell_length_b 4.77650000\n_cell_length_c 4.85481000\n_cell_angle_alpha 107.31518000\n_cell_angle_beta 109.50199000\n_cell_angle_gamma 106.87463000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.87026666\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53520360 0.16874508 0.90909555 1\n C C1 1 0.70349811 0.33480028 0.24284977 1\n C C2 1 0.53517843 0.16875123 0.40909313 1\n C C3 1 1.20467942 0.83466928 0.74296917 1\n C C4 1 0.03458213 0.66879323 0.90901679 1\n C C5 1 1.03455965 0.66879669 0.40901784 1\n C C6 1 0.70348383 0.33480439 0.74284551 1\n C C7 1 0.20466823 0.83467142 0.24296694 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48075000\n_cell_length_b 3.68884000\n_cell_length_c 4.21807000\n_cell_angle_alpha 104.79234000\n_cell_angle_beta 90.02541000\n_cell_angle_gamma 109.65936000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98682906\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04851696 0.21125543 1.01923386 1\n C C1 1 0.40584943 0.12538446 0.51550201 1\n C C2 1 0.72686438 0.76566019 0.81266554 1\n C C3 1 0.20777497 0.72742759 0.59077966 1\n C C4 1 0.53005985 0.36839066 0.88853626 1\n C C5 1 0.98396403 0.28191196 0.38444307 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48110000\n_cell_length_b 3.68827000\n_cell_length_c 4.83656000\n_cell_angle_alpha 57.47377000\n_cell_angle_beta 104.79459000\n_cell_angle_gamma 109.64242000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98993891\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93473680 0.64786081 0.37640560 1\n C C1 1 0.89695914 -0.05598331 1.01155256 1\n C C2 1 0.67514672 0.70486889 0.80489493 1\n C C3 1 0.35644023 0.36038462 0.50731128 1\n C C4 1 0.15481015 0.88705884 0.58284544 1\n C C5 1 0.47540936 0.23171946 0.88068469 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45074000\n_cell_length_b 5.50889000\n_cell_length_c 4.75650000\n_cell_angle_alpha 91.35585000\n_cell_angle_beta 82.11768000\n_cell_angle_gamma 114.21158000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.97703901\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07973061 0.45507788 0.07167501 1\n C C1 1 0.97444575 0.40762657 0.56740969 1\n C C2 1 0.18635402 0.70737251 0.53663272 1\n C C3 1 -0.07543931 0.26921688 0.83337163 1\n C C4 1 0.82802046 0.79237829 0.35222556 1\n C C5 1 0.82642188 0.25219075 0.31432504 1\n C C6 1 0.75287756 0.63019353 1.07502283 1\n C C7 1 0.07687071 0.81699104 0.82494031 1\n C C8 1 0.25866059 0.09151052 0.91022560 1\n C C9 1 1.17018073 0.08317471 0.24621420 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46025000\n_cell_length_b 3.39526000\n_cell_length_c 6.01824000\n_cell_angle_alpha 109.17650000\n_cell_angle_beta 78.17290000\n_cell_angle_gamma 68.80456000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17023134\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56205629 0.07859361 0.18894112 1\n C C1 1 0.93272706 0.53475287 -0.00623455 1\n C C2 1 0.31691111 0.29222421 0.46471710 1\n C C3 1 0.09298674 0.14507954 0.06172831 1\n C C4 1 0.70403893 0.39278655 0.59136916 1\n C C5 1 0.46160469 0.60320661 0.86725396 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42635000\n_cell_length_b 4.22593000\n_cell_length_c 4.22706000\n_cell_angle_alpha 92.44743000\n_cell_angle_beta 90.00115000\n_cell_angle_gamma 90.00165000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.30298400\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43750348 0.27608580 0.55677651 1\n C C1 1 0.93724445 0.71108425 1.12137203 1\n C C2 1 0.43736539 -0.13231382 0.14511283 1\n C C3 1 0.43739342 0.21730769 0.20697630 1\n C C4 1 0.93739887 0.30028440 0.71353383 1\n C C5 1 0.93748569 0.36125897 0.06258841 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.71231000\n_cell_length_b 4.57776000\n_cell_length_c 5.40155000\n_cell_angle_alpha 61.59492000\n_cell_angle_beta 69.88149000\n_cell_angle_gamma 66.07214000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.48982609\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30134710 1.07885941 0.23375516 1\n C C1 1 0.18276965 0.00910769 0.78032716 1\n C C2 1 0.75778601 0.27269217 0.79459091 1\n C C3 1 0.85078788 0.88538873 0.56757069 1\n C C4 1 0.55783329 1.31747389 0.08011912 1\n C C5 1 0.83373872 0.57669118 0.26825315 1\n C C6 1 0.85281969 0.22792147 0.27327008 1\n C C7 1 0.70341604 0.62206775 0.55345290 1\n C C8 1 0.49210021 0.81540855 1.11468207 1\n C C9 1 0.27305873 0.86843962 0.55304711 1\n C C10 1 0.23258263 0.66640523 0.07483106 1\n C C11 1 0.57411526 0.02581131 0.79498940 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45493000\n_cell_length_b 3.35056000\n_cell_length_c 8.16396000\n_cell_angle_alpha 85.78165000\n_cell_angle_beta 63.22705000\n_cell_angle_gamma 68.67027000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.51627174\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78385005 1.03057748 0.92614924 1\n C C1 1 0.24823482 0.20625504 0.55761356 1\n C C2 1 0.95388649 -0.17087253 0.21285186 1\n C C3 1 0.63514649 1.16361147 0.64739024 1\n C C4 1 0.52657320 0.24144571 0.36010501 1\n C C5 1 0.08489105 0.39725468 0.26933465 1\n C C6 1 0.51276395 -0.01613159 0.12230945 1\n C C7 1 0.39331774 0.07804793 0.83691730 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45989000\n_cell_length_b 3.39514000\n_cell_length_c 6.01402000\n_cell_angle_alpha 109.06113000\n_cell_angle_beta 101.84282000\n_cell_angle_gamma 111.19806000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17428924\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04221432 1.07203434 0.69406666 1\n C C1 1 0.81546065 0.38558372 0.09655823 1\n C C2 1 0.57160094 0.17408787 0.82083431 1\n C C3 1 0.34587464 0.31756649 0.22350707 1\n C C4 1 0.71462751 0.85937824 0.41839273 1\n C C5 1 0.18539007 0.92746854 0.29142430 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48783000\n_cell_length_b 3.51628000\n_cell_length_c 4.30376000\n_cell_angle_alpha 65.89186000\n_cell_angle_beta 73.21632000\n_cell_angle_gamma 90.00035000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60005010\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30126812 0.74557672 0.41794641 1\n C C1 1 0.13438893 0.32857656 0.75145752 1\n C C2 1 0.96798381 0.41225326 0.08460273 1\n C C3 1 0.63439242 0.07894822 0.75127393 1\n C C4 1 0.80126251 0.99522207 0.41815261 1\n C C5 1 0.46800192 0.66192006 0.08476760 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48122000\n_cell_length_b 3.68896000\n_cell_length_c 4.83919000\n_cell_angle_alpha 57.43572000\n_cell_angle_beta 104.82567000\n_cell_angle_gamma 109.64265000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00078724\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34381771 0.72328618 0.94504957 1\n C C1 1 0.86335929 0.54072895 0.16704655 1\n C C2 1 0.11992531 0.48439072 0.73828449 1\n C C3 1 0.66314303 0.06806433 0.24227147 1\n C C4 1 0.08525821 0.78069445 0.37315125 1\n C C5 1 0.54147006 0.19671557 0.86910788 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42975000\n_cell_length_b 3.23025000\n_cell_length_c 7.87521000\n_cell_angle_alpha 70.96537000\n_cell_angle_beta 84.28166000\n_cell_angle_gamma 82.90049000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.86641055\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55253956 0.99380311 0.31893325 1\n C C1 1 0.05254317 0.49383740 0.56894228 1\n C C2 1 0.55183780 0.32922665 0.15315817 1\n C C3 1 1.05254349 0.49375070 0.06892285 1\n C C4 1 1.05185479 0.82925004 0.90315423 1\n C C5 1 0.55255115 -0.00620202 0.81892709 1\n C C6 1 0.05183301 0.82929202 0.40317005 1\n C C7 1 0.55184663 0.32929859 0.65317079 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35259000\n_cell_length_b 3.40636000\n_cell_length_c 4.58049000\n_cell_angle_alpha 89.26685000\n_cell_angle_beta 68.53945000\n_cell_angle_gamma 87.90665000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.65063273\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18964483 0.00934782 -0.07174203 1\n C C1 1 0.84901964 0.48405851 0.64338698 1\n C C2 1 0.74966257 0.84338367 0.14266037 1\n C C3 1 0.49038014 0.18883793 0.32282738 1\n C C4 1 0.14867397 0.19713381 0.64266621 1\n C C5 1 0.52442803 0.67666859 0.92829207 1\n C C6 1 0.82794058 0.49690629 0.32302139 1\n C C7 1 0.26246354 0.34345327 0.11733294 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46943000\n_cell_length_b 3.78470000\n_cell_length_c 5.68579000\n_cell_angle_alpha 89.96251000\n_cell_angle_beta 64.09365000\n_cell_angle_gamma 89.92476000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.79960499\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.25223482 0.64862606 0.63970841 1\n C C1 1 0.25325760 0.26180676 0.63956177 1\n C C2 1 -0.08680424 0.75491805 0.47998158 1\n C C3 1 0.79537345 0.45518264 0.09943254 1\n C C4 1 1.12110652 0.45543427 0.27229817 1\n C C5 1 -0.02261968 0.76900885 -0.08554918 1\n C C6 1 -0.08581770 0.15595013 0.47985653 1\n C C7 1 0.97837664 0.14054304 0.91433289 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30614000\n_cell_length_b 3.62454000\n_cell_length_c 5.61401000\n_cell_angle_alpha 85.51975000\n_cell_angle_beta 87.90102000\n_cell_angle_gamma 74.82422000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.72043194\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95130116 0.72931349 0.33817648 1\n C C1 1 0.27372546 0.68563680 0.13461520 1\n C C2 1 -0.12602654 0.61527362 0.77206839 1\n C C3 1 0.44550760 0.19691833 0.56442188 1\n C C4 1 0.53221638 -0.05608449 0.77566088 1\n C C5 1 0.70666526 0.45813578 0.20516922 1\n C C6 1 0.29263363 1.02549681 0.98018848 1\n C C7 1 0.02885843 0.41387128 0.00238119 1\n C C8 1 0.68420708 0.11774310 0.35928280 1\n C C9 1 0.10307893 0.52611538 0.56820639 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26919000\n_cell_length_b 3.27270000\n_cell_length_c 3.63227000\n_cell_angle_alpha 104.53390000\n_cell_angle_beta 104.50561000\n_cell_angle_gamma 80.85136000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22702991\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78872486 0.32502763 0.32993434 1\n C C1 1 0.57750835 0.11112736 0.56742628 1\n C C2 1 0.20666353 0.69742227 0.94835714 1\n C C3 1 0.93822269 0.75075967 0.56711521 1\n C C4 1 0.52273484 0.37958465 0.94858243 1\n C C5 1 0.15061763 0.96382981 0.32952039 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47416000\n_cell_length_b 4.11798000\n_cell_length_c 4.28275000\n_cell_angle_alpha 89.98567000\n_cell_angle_beta 90.01019000\n_cell_angle_gamma 90.00378000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.63497352\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56088255 1.08303026 0.55973500 1\n C C1 1 0.56070204 0.58300835 -0.10692713 1\n C C2 1 0.56084333 0.45807582 0.55976729 1\n C C3 1 0.06069620 0.45804743 0.05977529 1\n C C4 1 0.06080885 0.58304022 0.39306131 1\n C C5 1 0.56075646 -0.04195360 0.89307152 1\n C C6 1 1.06078212 0.95806573 0.39305839 1\n C C7 1 1.06081525 0.08302699 0.05974002 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20991000\n_cell_length_b 3.91242000\n_cell_length_c 4.64048000\n_cell_angle_alpha 83.01940000\n_cell_angle_beta 99.86252000\n_cell_angle_gamma 109.55385000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.79064255\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88217089 0.83924403 -0.01463783 1\n C C1 1 0.48158686 1.03739403 0.18701005 1\n C C2 1 0.28195677 0.63854420 0.78589512 1\n C C3 1 0.81464475 1.03441111 0.18870107 1\n C C4 1 0.21503420 0.83601133 -0.01278255 1\n C C5 1 0.08139856 0.23572656 0.38844163 1\n C C6 1 0.41438236 0.23273493 0.39026040 1\n C C7 1 0.68175924 0.43640541 0.58800937 1\n C C8 1 0.01443970 0.43302435 0.59005616 1\n C C9 1 0.61476967 0.63544055 0.78776678 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42568000\n_cell_length_b 4.21768000\n_cell_length_c 4.21814000\n_cell_angle_alpha 90.36853000\n_cell_angle_beta 89.96908000\n_cell_angle_gamma 89.99690000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.15380312\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12660990 0.35346054 0.75646155 1\n C C1 1 0.37348625 0.32574177 0.60049323 1\n C C2 1 0.37345590 0.26763543 0.25197691 1\n C C3 1 0.37348452 0.91981234 0.18988665 1\n C C4 1 0.87349549 0.41526206 0.10411182 1\n C C5 1 0.87351295 0.76392918 0.16238054 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42825000\n_cell_length_b 3.13453000\n_cell_length_c 10.51834000\n_cell_angle_alpha 97.24329000\n_cell_angle_beta 76.31687000\n_cell_angle_gamma 113.32788000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.38138125\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65661091 0.89019610 0.72840018 1\n C C1 1 0.25974056 0.69313491 0.52815109 1\n C C2 1 0.18986581 0.82335749 0.66183760 1\n C C3 1 0.45183579 0.28264579 0.12879743 1\n C C4 1 0.85680349 0.48884416 0.32839295 1\n C C5 1 -0.01823250 0.21251586 1.06256865 1\n C C6 1 0.05158883 0.08369500 0.92879840 1\n C C7 1 0.79036722 0.62273228 0.46182684 1\n C C8 1 0.38570194 0.41661333 0.26224719 1\n C C9 1 0.58454073 0.01730099 0.86228978 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.53237000\n_cell_length_b 5.35087000\n_cell_length_c 5.74710000\n_cell_angle_alpha 61.66608000\n_cell_angle_beta 66.65766000\n_cell_angle_gamma 62.39538000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.53659075\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34026522 0.86484554 0.32252824 1\n C C1 1 0.71653102 0.58897960 0.27986825 1\n C C2 1 0.88469780 0.44578189 0.54479829 1\n C C3 1 0.71158374 0.67050444 0.69149147 1\n C C4 1 0.65103693 0.26028461 0.82501178 1\n C C5 1 0.33319258 0.22151391 0.50379366 1\n C C6 1 0.64667131 0.34132486 0.23704088 1\n C C7 1 0.31512111 0.91106779 0.55577927 1\n C C8 1 0.47810380 0.48476085 0.97216047 1\n C C9 1 0.88995761 0.83133538 0.75246957 1\n C C10 1 1.02997839 0.70884594 1.01336681 1\n C C11 1 0.47356328 0.09884692 0.76417726 1\n C C12 1 0.04779023 0.01949976 0.96064501 1\n C C13 1 0.02395957 0.06583941 0.19347915 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43774000\n_cell_length_b 4.68800000\n_cell_length_c 4.69180000\n_cell_angle_alpha 75.48550000\n_cell_angle_beta 74.89847000\n_cell_angle_gamma 105.04466000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.98997500\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71145092 0.11638874 0.60910399 1\n C C1 1 0.50553525 0.06235008 -0.03054852 1\n C C2 1 0.84594998 0.64677643 0.87556031 1\n C C3 1 0.57630659 0.63795364 0.40129429 1\n C C4 1 0.57516848 0.32270346 1.08858578 1\n C C5 1 0.50704375 0.75671541 0.66182966 1\n C C6 1 0.38742944 0.29357851 0.43225319 1\n C C7 1 -0.15409732 0.84958004 1.07754332 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48411000\n_cell_length_b 5.52345000\n_cell_length_c 6.33646000\n_cell_angle_alpha 60.49324000\n_cell_angle_beta 101.31192000\n_cell_angle_gamma 77.01034000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.73278598\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35725147 0.55130168 0.73060685 1\n C C1 1 0.77021001 0.94179142 -0.04974286 1\n C C2 1 0.63421261 0.61499061 0.35424111 1\n C C3 1 0.43564364 0.93158877 0.26846844 1\n C C4 1 0.79060917 0.06278554 0.10985485 1\n C C5 1 1.15822097 0.38129939 0.16603517 1\n C C6 1 0.58854669 0.37956563 1.02358094 1\n C C7 1 0.45454604 0.05266971 0.42794335 1\n C C8 1 0.09111900 0.94559013 0.59363332 1\n C C9 1 0.06285409 0.61387505 0.21140119 1\n C C10 1 0.86943943 0.44221330 0.64759975 1\n C C11 1 0.13341428 1.04898936 0.78449938 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47836000\n_cell_length_b 4.53069000\n_cell_length_c 5.36920000\n_cell_angle_alpha 53.24032000\n_cell_angle_beta 90.23582000\n_cell_angle_gamma 57.59919000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.77258208\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17112437 1.17309523 -0.04367697 1\n C C1 1 0.60789493 0.73514238 0.68867786 1\n C C2 1 0.87974044 -0.03550696 0.45980789 1\n C C3 1 0.31680541 0.52637531 0.19221860 1\n C C4 1 0.58345166 0.76224937 0.95642598 1\n C C5 1 -0.09577480 0.93733166 0.19207194 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48337000\n_cell_length_b 5.01201000\n_cell_length_c 5.41704000\n_cell_angle_alpha 48.82945000\n_cell_angle_beta 112.82194000\n_cell_angle_gamma 94.51509000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.23950102\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96728884 0.17934514 0.90233756 1\n C C1 1 0.05297191 0.51103817 -0.14518531 1\n C C2 1 0.64571840 -0.05156257 1.13351151 1\n C C3 1 0.84717978 0.90037462 0.46565169 1\n C C4 1 0.44327706 0.99555547 0.56131365 1\n C C5 1 0.52809500 0.32713207 0.51315109 1\n C C6 1 0.64909867 0.60638081 0.95057982 1\n C C7 1 -0.14989285 0.55821529 0.28254607 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42609000\n_cell_length_b 4.21797000\n_cell_length_c 4.21858000\n_cell_angle_alpha 89.52221000\n_cell_angle_beta 89.99726000\n_cell_angle_gamma 89.99839000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.16796567\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21738349 0.59190329 0.04227604 1\n C C1 1 0.71717022 0.67944113 0.53785377 1\n C C2 1 0.71752808 1.08773427 0.13108347 1\n C C3 1 0.71729471 0.73914074 0.18982017 1\n C C4 1 0.21746295 0.24345166 0.10341535 1\n C C5 1 0.21713504 0.65130621 0.69373130 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47209000\n_cell_length_b 3.88468000\n_cell_length_c 5.96309000\n_cell_angle_alpha 89.47502000\n_cell_angle_beta 78.03565000\n_cell_angle_gamma 90.04184000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.01867541\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29186303 0.76881583 0.46136356 1\n C C1 1 0.48645643 0.77282758 0.07063538 1\n C C2 1 0.82268476 0.57789618 0.39746526 1\n C C3 1 0.61563828 0.85922734 0.82210693 1\n C C4 1 0.95422112 0.58115079 0.13540103 1\n C C5 1 0.88718583 0.25304131 0.26606076 1\n C C6 1 0.38748563 0.04632809 0.26558310 1\n C C7 1 0.17313112 0.85691339 0.70821718 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47299000\n_cell_length_b 3.67930000\n_cell_length_c 8.81838000\n_cell_angle_alpha 65.85933000\n_cell_angle_beta 73.74988000\n_cell_angle_gamma 89.97606000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.69693914\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37724633 1.23159433 0.16639531 1\n C C1 1 0.63364957 0.24405510 0.40957272 1\n C C2 1 0.53551101 0.22539578 0.00859652 1\n C C3 1 0.88797538 0.73970073 0.65496184 1\n C C4 1 0.79233931 0.24063477 0.25122623 1\n C C5 1 -0.11067164 0.33416207 0.65367087 1\n C C6 1 0.28128529 0.72729418 0.76294410 1\n C C7 1 0.27943719 0.13199560 0.76490039 1\n C C8 1 0.13677238 0.28809349 0.90695206 1\n C C9 1 1.03264358 0.18016855 0.51115656 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47002000\n_cell_length_b 3.40294000\n_cell_length_c 7.58831000\n_cell_angle_alpha 102.65467000\n_cell_angle_beta 90.56360000\n_cell_angle_gamma 110.76955000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.92021852\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97892190 0.24625976 0.74824852 1\n C C1 1 0.43369750 0.15926543 0.63319650 1\n C C2 1 0.59492424 0.48061520 0.48974230 1\n C C3 1 0.84313682 -0.03166194 0.89531380 1\n C C4 1 -0.16609984 0.93119529 0.26654046 1\n C C5 1 0.21330388 0.72535612 0.52200077 1\n C C6 1 0.61340244 0.49725707 0.15610647 1\n C C7 1 0.45302637 0.17622916 0.29889078 1\n C C8 1 0.20432799 0.68950667 0.89301747 1\n C C9 1 0.06662610 0.41083384 1.04043124 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42872000\n_cell_length_b 4.16215000\n_cell_length_c 6.17484000\n_cell_angle_alpha 109.16562000\n_cell_angle_beta 101.52253000\n_cell_angle_gamma 90.15555000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.61413553\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10417313 0.82091854 0.16357145 1\n C C1 1 0.55475993 0.87277668 0.06674565 1\n C C2 1 0.86911750 0.65883822 0.70041308 1\n C C3 1 0.74646711 0.64299383 0.45039005 1\n C C4 1 -0.11360620 0.33022907 0.74465056 1\n C C5 1 0.19809252 0.69207143 0.35221513 1\n C C6 1 0.40059507 0.18911985 0.77416227 1\n C C7 1 0.42925154 0.86151809 0.81798910 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.15162000\n_cell_length_b 3.28612000\n_cell_length_c 4.68664000\n_cell_angle_alpha 59.62229000\n_cell_angle_beta 62.06819000\n_cell_angle_gamma 77.26202000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.72329461\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25670960 0.19642875 1.04440951 1\n C C1 1 0.43118408 0.71980063 0.18155752 1\n C C2 1 1.12003310 0.03194653 0.86909041 1\n C C3 1 0.77101711 0.70695534 0.21782760 1\n C C4 1 0.08210208 0.39492825 0.53041136 1\n C C5 1 0.76901135 0.77113258 0.53199548 1\n C C6 1 0.94571757 0.23016319 0.35520932 1\n C C7 1 0.43312181 0.65586702 0.86738989 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.97568000\n_cell_length_b 4.20849000\n_cell_length_c 4.85130000\n_cell_angle_alpha 89.80936000\n_cell_angle_beta 101.66548000\n_cell_angle_gamma 106.34668000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.00051119\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51582184 0.28592403 0.61511393 1\n C C1 1 0.51574813 0.78593512 0.36515665 1\n C C2 1 0.51423070 -0.04763349 0.11478330 1\n C C3 1 0.51572380 0.78591786 0.86509164 1\n C C4 1 0.51424102 0.45239434 0.36480473 1\n C C5 1 0.51421669 0.45237708 0.86473972 1\n C C6 1 0.51414298 0.95238816 0.61478244 1\n C C7 1 0.51573412 0.28594569 0.11511307 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47368000\n_cell_length_b 4.30499000\n_cell_length_c 4.96365000\n_cell_angle_alpha 90.00778000\n_cell_angle_beta 119.92169000\n_cell_angle_gamma 90.02931000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.81308196\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84559950 0.93325619 0.37970423 1\n C C1 1 0.48396831 0.79400215 0.51851976 1\n C C2 1 0.48406987 0.93201531 0.01851346 1\n C C3 1 0.84580476 0.79256175 0.87984700 1\n C C4 1 -0.15526884 0.29408682 0.37842074 1\n C C5 1 0.48305015 0.43336057 0.51722559 1\n C C6 1 0.84401936 0.43187057 0.87831462 1\n C C7 1 0.48246069 0.29256313 1.01719820 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58164000\n_cell_length_b 4.85881000\n_cell_length_c 4.38619000\n_cell_angle_alpha 77.64574000\n_cell_angle_beta 69.71120000\n_cell_angle_gamma 69.15857000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.97064934\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17119014 0.00833189 0.54485145 1\n C C1 1 0.62889159 0.26603296 1.04115117 1\n C C2 1 0.40619261 0.54205461 0.19616827 1\n C C3 1 0.86504296 0.29524269 0.68270438 1\n C C4 1 0.52225734 0.01314584 0.21573860 1\n C C5 1 0.82870894 0.72608757 1.07736249 1\n C C6 1 0.06481928 0.75528639 0.71901254 1\n C C7 1 0.28845984 0.47883396 0.56371000 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.24395000\n_cell_length_b 4.20501000\n_cell_length_c 5.45901000\n_cell_angle_alpha 67.34805000\n_cell_angle_beta 117.53297000\n_cell_angle_gamma 119.70243000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.48006269\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54132656 0.95608304 -0.03038440 1\n C C1 1 -0.07230475 0.62796277 0.05487442 1\n C C2 1 0.53173189 0.71130899 0.45631065 1\n C C3 1 0.32443313 0.48943976 0.68012552 1\n C C4 1 0.53163221 0.06925881 0.45634526 1\n C C5 1 0.92766999 0.95025948 1.05484720 1\n C C6 1 0.31322358 0.61185706 0.16122148 1\n C C7 1 0.31318302 0.24542429 0.16120562 1\n C C8 1 0.89834643 0.67280690 0.57589532 1\n C C9 1 0.89822869 0.35480839 0.57590509 1\n C C10 1 0.32446572 0.85981070 0.68022133 1\n C C11 1 0.54134112 0.32102890 0.96954670 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48107000\n_cell_length_b 4.83886000\n_cell_length_c 4.21682000\n_cell_angle_alpha 132.56022000\n_cell_angle_beta 89.96405000\n_cell_angle_gamma 104.88224000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.95654013\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87646308 0.11728913 0.98958898 1\n C C1 1 0.13185819 0.63200164 0.93294091 1\n C C2 1 0.35677452 1.07788405 0.17226117 1\n C C3 1 1.10007234 0.56300693 0.22889579 1\n C C4 1 0.67836834 0.71967309 0.51640715 1\n C C5 1 0.55336223 0.47525147 0.64541570 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48563000\n_cell_length_b 5.82821000\n_cell_length_c 7.17311000\n_cell_angle_alpha 96.92100000\n_cell_angle_beta 89.98280000\n_cell_angle_gamma 90.00173000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.15801110\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43296676 0.30963783 1.08995386 1\n C C1 1 0.43333953 0.94808676 0.73278878 1\n C C2 1 0.93283650 0.38767831 0.77887142 1\n C C3 1 0.43246049 0.57077986 0.12480509 1\n C C4 1 -0.06605755 0.65214881 0.49912291 1\n C C5 1 0.93372853 0.37161055 0.41243509 1\n C C6 1 0.43339909 0.99838145 0.38290215 1\n C C7 1 0.43274190 0.52992639 0.77583907 1\n C C8 1 0.93249505 0.70860611 0.18113432 1\n C C9 1 -0.06694490 0.99840767 0.86182853 1\n C C10 1 0.43318040 0.10305520 0.58153197 1\n C C11 1 0.93181562 0.81291394 0.98646761 1\n C C12 1 0.93302134 0.24614286 0.96124557 1\n C C13 1 0.43188719 0.67642132 0.94722506 1\n C C14 1 0.93342594 0.84726498 0.35945110 1\n C C15 1 0.93317971 0.24657994 0.59478598 1\n C C16 1 0.43374051 0.25601135 0.30359378 1\n C C17 1 0.43372330 0.69130157 0.62445300 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52730000\n_cell_length_b 4.29488000\n_cell_length_c 4.71090000\n_cell_angle_alpha 68.43599000\n_cell_angle_beta 78.34490000\n_cell_angle_gamma 85.12544000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.57146975\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09470485 0.88314158 0.72980185 1\n C C1 1 -0.18657032 0.12124438 0.19776200 1\n C C2 1 0.47082601 0.58606479 0.39835423 1\n C C3 1 0.56100719 0.66725639 0.84998984 1\n C C4 1 0.61889519 0.47445164 0.17186175 1\n C C5 1 0.27649548 -0.06061728 0.37098006 1\n C C6 1 0.52628328 0.39374483 0.72065292 1\n C C7 1 0.99294573 0.17813097 0.83978055 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42855000\n_cell_length_b 5.44139000\n_cell_length_c 5.36503000\n_cell_angle_alpha 73.28965000\n_cell_angle_beta 90.15667000\n_cell_angle_gamma 103.69794000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.80900559\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62201054 0.27791921 0.51751588 1\n C C1 1 0.34843083 0.75621662 0.83848316 1\n C C2 1 0.33356959 0.72808970 0.10989315 1\n C C3 1 0.59365360 0.21666162 0.05346742 1\n C C4 1 0.11730151 0.26103030 -0.08143124 1\n C C5 1 0.83834142 0.73551232 0.24062564 1\n C C6 1 0.87113355 0.79838483 0.70463240 1\n C C7 1 0.93369801 0.91525681 0.41752444 1\n C C8 1 0.12671441 0.28595885 0.64793824 1\n C C9 1 0.53001103 0.09767884 0.34136461 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49012000\n_cell_length_b 6.56779000\n_cell_length_c 4.28169000\n_cell_angle_alpha 81.74650000\n_cell_angle_beta 87.77918000\n_cell_angle_gamma 79.15492000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.05728872\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28483826 0.27740574 0.47022552 1\n C C1 1 0.64727075 0.83808034 0.30337335 1\n C C2 1 0.75898154 0.62293933 0.48354149 1\n C C3 1 0.71821643 0.84527882 0.93642564 1\n C C4 1 0.16783601 0.97929360 -0.08393730 1\n C C5 1 -0.17352319 0.19666845 0.31898183 1\n C C6 1 1.06803292 -0.02799569 0.28170110 1\n C C7 1 0.29877673 0.51445058 0.37051608 1\n C C8 1 0.38207611 0.52024891 1.00069493 1\n C C9 1 0.63627792 0.29062016 0.97344122 1\n C C10 1 0.18229391 0.21081886 0.81428922 1\n C C11 1 0.81885951 0.62998989 0.84405752 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27669000\n_cell_length_b 3.26459000\n_cell_length_c 4.23457000\n_cell_angle_alpha 123.92130000\n_cell_angle_beta 95.29294000\n_cell_angle_gamma 99.10519000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.20198673\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63667405 0.12850958 0.18253883 1\n C C1 1 0.26552123 0.92571363 0.56393712 1\n C C2 1 0.99694971 0.48953833 0.18253263 1\n C C3 1 0.84894044 0.67827159 -0.05492982 1\n C C4 1 0.21067352 0.03950860 0.94551611 1\n C C5 1 0.58287675 0.24175167 0.56372623 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44307000\n_cell_length_b 4.17845000\n_cell_length_c 6.66845000\n_cell_angle_alpha 82.63229000\n_cell_angle_beta 90.14318000\n_cell_angle_gamma 90.01587000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.51092605\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26294455 0.97381983 0.56356066 1\n C C1 1 0.76591652 0.77244574 0.87890966 1\n C C2 1 0.75216271 0.95443632 0.24468324 1\n C C3 1 0.76357351 0.06643382 0.00774588 1\n C C4 1 0.74420441 0.59952637 0.29710800 1\n C C5 1 0.76451639 -0.08053461 0.66135988 1\n C C6 1 0.26437895 0.25701163 0.95650098 1\n C C7 1 0.25246617 0.08390230 0.34068380 1\n C C8 1 0.26616306 0.57581620 -0.08962443 1\n C C9 1 0.24315182 0.44058949 0.31313424 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45555000\n_cell_length_b 4.41717000\n_cell_length_c 7.00901000\n_cell_angle_alpha 63.73936000\n_cell_angle_beta 89.84478000\n_cell_angle_gamma 105.87062000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 64.90076525\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35647286 0.90251528 0.12602673 1\n C C1 1 0.85380069 0.89906971 0.70431942 1\n C C2 1 0.69762516 0.58251137 0.45441327 1\n C C3 1 0.30133754 0.79357566 0.66268142 1\n C C4 1 0.16823074 0.52563473 0.58062524 1\n C C5 1 0.45639046 0.10766145 0.91305498 1\n C C6 1 0.79706075 0.78392708 0.24080073 1\n C C7 1 -0.01432400 0.16616822 0.78687191 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46115000\n_cell_length_b 3.63290000\n_cell_length_c 4.48654000\n_cell_angle_alpha 106.39087000\n_cell_angle_beta 95.35480000\n_cell_angle_gamma 116.54417000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.28343366\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80578060 0.26910884 1.10452438 1\n C C1 1 0.27549364 0.65699220 0.42730660 1\n C C2 1 0.11441728 0.99584643 1.10460041 1\n C C3 1 0.84366327 0.51612299 0.87106245 1\n C C4 1 -0.03305810 -0.06978448 0.42726887 1\n C C5 1 0.23770050 0.41027033 0.66031549 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47372000\n_cell_length_b 4.24596000\n_cell_length_c 7.18945000\n_cell_angle_alpha 72.40910000\n_cell_angle_beta 80.04676000\n_cell_angle_gamma 89.98890000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.78958288\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.24435001 0.69051434 0.26364590 1\n C C1 1 0.47782359 0.32002586 0.82030714 1\n C C2 1 0.13084846 0.27310563 0.51000258 1\n C C3 1 0.15894554 0.95612301 0.45147130 1\n C C4 1 0.24603578 0.48463163 0.28253861 1\n C C5 1 0.81774225 1.05631282 0.13864062 1\n C C6 1 0.93320743 0.12394502 -0.08789328 1\n C C7 1 0.46042924 0.64772663 0.85921610 1\n C C8 1 0.95421989 0.79711970 0.87228556 1\n C C9 1 0.58918338 0.38572575 0.59448111 1\n C C10 1 0.64988933 0.75087475 0.46931557 1\n C C11 1 1.27575941 0.16797617 0.22375186 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.55630000\n_cell_length_b 2.48416000\n_cell_length_c 7.23225000\n_cell_angle_alpha 80.07567000\n_cell_angle_beta 60.73734000\n_cell_angle_gamma 69.50675000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.21164176\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15327212 0.65081886 0.10279554 1\n C C1 1 0.79398269 0.96559765 0.83258351 1\n C C2 1 -0.09337541 0.65036758 0.35215385 1\n C C3 1 0.66441209 0.46596776 0.96125195 1\n C C4 1 0.89443291 0.28115974 0.10291169 1\n C C5 1 1.13683365 0.46413585 0.49411195 1\n C C6 1 0.64749331 0.28079465 0.35235203 1\n C C7 1 0.00800343 0.96383291 0.62307918 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48828000\n_cell_length_b 2.48746000\n_cell_length_c 6.57587000\n_cell_angle_alpha 79.08103000\n_cell_angle_beta 67.77272000\n_cell_angle_gamma 59.97751000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62169896\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37697834 0.65932586 0.50784113 1\n C C1 1 0.79393217 0.99257864 0.42432903 1\n C C2 1 0.46095209 0.32584698 0.09080404 1\n C C3 1 0.71053696 0.32598035 0.84081083 1\n C C4 1 0.04443861 -0.00746857 0.17403013 1\n C C5 1 0.12663922 0.65924664 0.75796404 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.28205000\n_cell_length_b 4.56494000\n_cell_length_c 4.88253000\n_cell_angle_alpha 77.90578000\n_cell_angle_beta 91.27054000\n_cell_angle_gamma 76.79855000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 90.60960260\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63991890 0.78180180 0.57563397 1\n C C1 1 0.88937293 0.54084687 0.63051884 1\n C C2 1 0.40741107 0.25850005 0.32320564 1\n C C3 1 0.60493582 0.18124184 1.09186862 1\n C C4 1 0.60736261 0.11416319 0.59921969 1\n C C5 1 0.31864169 0.75814479 0.47202766 1\n C C6 1 0.40687126 0.22231636 0.83113432 1\n C C7 1 0.21017010 0.56585250 0.73372675 1\n C C8 1 0.12134359 0.06552001 0.88272849 1\n C C9 1 0.22028923 0.72758396 0.96736881 1\n C C10 1 0.92383819 1.14350242 0.11369023 1\n C C11 1 0.92173420 0.20851477 0.60711199 1\n C C12 1 0.31019570 0.59673856 0.23827405 1\n C C13 1 0.12151983 0.10203529 0.37442525 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47871000\n_cell_length_b 2.47779000\n_cell_length_c 6.31154000\n_cell_angle_alpha 101.30459000\n_cell_angle_beta 90.01310000\n_cell_angle_gamma 59.96906000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68937102\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02767552 0.26310587 0.41964391 1\n C C1 1 0.89016898 0.42955277 0.67074119 1\n C C2 1 0.42194263 0.37051802 0.08428697 1\n C C3 1 0.11668654 -0.01848394 1.00121673 1\n C C4 1 0.19719805 0.81771930 0.75412717 1\n C C5 1 0.33459092 0.53987787 0.33532663 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42813000\n_cell_length_b 4.86316000\n_cell_length_c 6.94820000\n_cell_angle_alpha 58.74905000\n_cell_angle_beta 119.71506000\n_cell_angle_gamma 120.07525000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.53577186\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78891639 0.86291376 0.81076673 1\n C C1 1 0.78893757 0.36292158 0.81077351 1\n C C2 1 0.45477487 0.52961475 0.81045858 1\n C C3 1 0.21409452 0.60087901 0.30869479 1\n C C4 1 0.54823604 -0.06582198 0.30900294 1\n C C5 1 0.21407334 0.10087120 0.30868802 1\n C C6 1 0.54823582 0.43418902 0.30899494 1\n C C7 1 0.45477509 0.02960375 0.81046658 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63273000\n_cell_length_b 3.45818000\n_cell_length_c 7.09490000\n_cell_angle_alpha 80.60796000\n_cell_angle_beta 71.82187000\n_cell_angle_gamma 58.30873000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.05533468\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32351014 -0.00484019 0.73695384 1\n C C1 1 0.62086599 -0.01963418 0.24180858 1\n C C2 1 -0.16712584 0.51272037 0.15261373 1\n C C3 1 0.53034663 0.18871390 0.81537425 1\n C C4 1 0.94953737 -0.01900847 0.90033003 1\n C C5 1 1.20503112 0.51336416 -0.01045524 1\n C C6 1 0.23293047 0.99423224 0.40501910 1\n C C7 1 0.61487504 0.51771961 0.65225824 1\n C C8 1 0.60810870 0.33414738 0.07119765 1\n C C9 1 0.41889249 0.51726714 0.48975713 1\n C C10 1 0.83275307 0.18780634 0.32666751 1\n C C11 1 0.12460113 0.30203530 0.57101248 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49279000\n_cell_length_b 4.66387000\n_cell_length_c 7.22855000\n_cell_angle_alpha 103.27594000\n_cell_angle_beta 80.07096000\n_cell_angle_gamma 89.99641000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.49948381\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54817949 0.55025660 0.25146584 1\n C C1 1 0.65699297 0.47455591 1.03506598 1\n C C2 1 0.37882989 0.03108412 0.58559471 1\n C C3 1 0.69998369 0.11359666 0.94974471 1\n C C4 1 0.15876714 0.97324344 0.03088760 1\n C C5 1 0.01746463 0.40953923 0.31424813 1\n C C6 1 0.82094787 -0.01095237 0.70092150 1\n C C7 1 0.18974402 0.61313267 0.97135662 1\n C C8 1 0.50523229 0.90907490 0.33686401 1\n C C9 1 0.82345386 0.68866024 0.69720357 1\n C C10 1 0.04554530 1.05107428 0.25577255 1\n C C11 1 -0.08681110 0.44498164 0.51809131 1\n C C12 1 0.28939584 0.57490716 0.76696772 1\n C C13 1 0.37774502 0.33144600 0.58854247 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.60069000\n_cell_length_b 4.80397000\n_cell_length_c 5.44080000\n_cell_angle_alpha 63.23452000\n_cell_angle_beta 59.97546000\n_cell_angle_gamma 69.99917000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.91978765\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17576775 0.82946470 0.07706216 1\n C C1 1 0.59060311 0.15148988 1.06142300 1\n C C2 1 0.88628945 0.58307979 0.23131076 1\n C C3 1 0.94920724 0.30541798 0.73909653 1\n C C4 1 0.21585171 0.98645920 0.72857090 1\n C C5 1 0.86514437 0.06634731 0.22734220 1\n C C6 1 0.68002867 0.53710780 0.56394799 1\n C C7 1 0.68354746 0.88111832 0.55568033 1\n C C8 1 0.60236970 0.81159092 0.05778994 1\n C C9 1 -0.06862532 0.80681226 0.74477747 1\n C C10 1 0.13124670 0.31934265 0.10333041 1\n C C11 1 0.19100356 0.48456418 0.76770351 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45052000\n_cell_length_b 4.53277000\n_cell_length_c 6.66777000\n_cell_angle_alpha 63.89585000\n_cell_angle_beta 68.39870000\n_cell_angle_gamma 57.24763000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.09852594\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83116961 0.31480599 0.42320771 1\n C C1 1 0.14261815 0.44864501 0.78957939 1\n C C2 1 0.80294501 0.60403129 -0.00916023 1\n C C3 1 -0.02401593 0.24692767 0.19312922 1\n C C4 1 -0.07371806 0.20082224 0.78958419 1\n C C5 1 0.60613317 0.70060925 0.42298058 1\n C C6 1 0.37726778 0.13294668 0.55882331 1\n C C7 1 0.68890515 -0.00085418 0.19304492 1\n C C8 1 1.06237082 -0.15535563 0.99082894 1\n C C9 1 0.92441662 0.74664039 0.55856717 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47806000\n_cell_length_b 6.55328000\n_cell_length_c 6.31386000\n_cell_angle_alpha 94.28065000\n_cell_angle_beta 101.31321000\n_cell_angle_gamma 100.88418000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 98.06617184\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77580868 0.18543363 0.29691073 1\n C C1 1 0.90988712 0.21284402 0.54783637 1\n C C2 1 0.69906944 0.37024861 -0.03841392 1\n C C3 1 0.54140487 0.13906320 0.87852637 1\n C C4 1 -0.12575489 0.80536031 0.87853703 1\n C C5 1 0.03289472 0.03748285 0.96161067 1\n C C6 1 0.83974609 0.39796952 0.21243254 1\n C C7 1 0.06720115 0.44499353 0.63142914 1\n C C8 1 0.10911499 0.85290134 0.29691770 1\n C C9 1 0.57625901 0.54641133 0.54752690 1\n C C10 1 0.50680961 0.73218649 0.21265991 1\n C C11 1 0.40057003 0.11125722 0.63153781 1\n C C12 1 0.44184363 0.51867343 0.29664828 1\n C C13 1 0.36589095 0.70393319 0.96184870 1\n C C14 1 0.73329355 0.77786417 0.63122311 1\n C C15 1 0.24298317 0.88016459 0.54780595 1\n C C16 1 1.17375233 0.06544955 0.21245005 1\n C C17 1 0.20810105 0.47251672 0.87873656 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04792000\n_cell_length_b 4.20927000\n_cell_length_c 4.21092000\n_cell_angle_alpha 60.00756000\n_cell_angle_beta 77.03703000\n_cell_angle_gamma 63.41839000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.84399263\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08034876 0.46302238 0.13722531 1\n C C1 1 -0.07174012 0.12663132 0.47056413 1\n C C2 1 0.92816574 0.79331336 0.13721079 1\n C C3 1 0.91960519 0.79641719 0.47053465 1\n C C4 1 -0.07194613 0.46005225 0.80383975 1\n C C5 1 0.91967118 0.12969239 0.80390745 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42305000\n_cell_length_b 4.17904000\n_cell_length_c 5.74944000\n_cell_angle_alpha 46.76996000\n_cell_angle_beta 89.59561000\n_cell_angle_gamma 89.63940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.41775345\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93925939 0.12248266 0.52690277 1\n C C1 1 -0.05991114 0.71737844 0.87260903 1\n C C2 1 0.43968741 0.12302332 0.96723405 1\n C C3 1 0.43919049 0.31147451 0.37342219 1\n C C4 1 0.43839985 0.71658341 0.02756059 1\n C C5 1 0.93925460 0.31088156 0.93305878 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52922000\n_cell_length_b 4.81518000\n_cell_length_c 4.20531000\n_cell_angle_alpha 88.73977000\n_cell_angle_beta 107.13872000\n_cell_angle_gamma 101.34090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.94981056\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80396220 0.21584933 0.74763007 1\n C C1 1 0.06734134 0.72112625 0.46404349 1\n C C2 1 1.16177719 0.75042101 0.82360267 1\n C C3 1 0.15857937 0.22078824 0.50912501 1\n C C4 1 1.09594534 0.47411489 0.31064233 1\n C C5 1 0.00505335 -0.03494424 0.29424234 1\n C C6 1 0.04574882 0.47163983 -0.02786848 1\n C C7 1 0.79709109 0.93622188 0.93170777 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45372000\n_cell_length_b 3.35415000\n_cell_length_c 7.43550000\n_cell_angle_alpha 83.10297000\n_cell_angle_beta 80.49608000\n_cell_angle_gamma 68.55408000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.05749792\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46098088 0.44492697 0.34634527 1\n C C1 1 0.14994788 0.68747947 0.72336922 1\n C C2 1 0.02007712 0.76067805 0.91448295 1\n C C3 1 0.83450701 0.60810162 0.43618824 1\n C C4 1 0.70761313 0.00764803 0.29148641 1\n C C5 1 0.45555006 0.79900395 0.00541903 1\n C C6 1 0.71380500 0.65062744 0.63235175 1\n C C7 1 0.33443082 0.84418327 0.20151974 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.59249000\n_cell_length_b 3.59101000\n_cell_length_c 4.07488000\n_cell_angle_alpha 76.44179000\n_cell_angle_beta 76.45929000\n_cell_angle_gamma 86.98118000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.68307526\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00718385 0.33416002 0.91839064 1\n C C1 1 0.19092208 1.03168123 0.12495934 1\n C C2 1 0.38161426 0.22272118 0.36617071 1\n C C3 1 0.69090027 0.53162614 0.12496248 1\n C C4 1 0.49278064 0.83411045 0.91843291 1\n C C5 1 0.88164523 0.72273961 0.36616311 1\n C C6 1 0.57973028 0.92027721 0.57278938 1\n C C7 1 1.07980710 0.42034975 0.57275363 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43104000\n_cell_length_b 5.74281000\n_cell_length_c 5.62789000\n_cell_angle_alpha 50.02154000\n_cell_angle_beta 78.26244000\n_cell_angle_gamma 91.59284000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.61840529\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00946896 0.27512579 0.50813326 1\n C C1 1 0.07327941 0.85761772 0.34169355 1\n C C2 1 0.49054524 0.77531369 0.50810499 1\n C C3 1 0.32346108 0.60822082 0.84157619 1\n C C4 1 0.82326345 0.10702155 0.84180114 1\n C C5 1 0.57330828 0.35793572 0.34164838 1\n C C6 1 0.24032063 0.02475249 1.00823475 1\n C C7 1 0.74052286 0.52595811 0.00802865 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47640000\n_cell_length_b 4.18426000\n_cell_length_c 5.39670000\n_cell_angle_alpha 112.82809000\n_cell_angle_beta 117.33342000\n_cell_angle_gamma 89.97902000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.69327648\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89900448 0.35755249 0.63713126 1\n C C1 1 0.88856626 0.60153481 0.12534532 1\n C C2 1 0.55410892 0.93470694 0.79197367 1\n C C3 1 0.55400905 0.56525187 0.79202005 1\n C C4 1 0.54361964 0.17941128 0.28035009 1\n C C5 1 -0.10104433 -0.01262460 0.63701528 1\n C C6 1 -0.11153361 0.23207974 0.12539170 1\n C C7 1 0.54357083 0.80923419 0.28023410 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38542000\n_cell_length_b 3.39953000\n_cell_length_c 5.29108000\n_cell_angle_alpha 86.18535000\n_cell_angle_beta 93.79405000\n_cell_angle_gamma 137.45227000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.07238127\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25040038 1.15498866 0.03518746 1\n C C1 1 0.73358089 0.67197731 0.90856552 1\n C C2 1 0.70102761 0.70576493 0.63323957 1\n C C3 1 0.87971450 0.52708217 0.43602042 1\n C C4 1 0.10583056 0.29883704 0.50656570 1\n C C5 1 0.28410446 0.12051598 0.31076732 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.24699000\n_cell_length_b 4.77339000\n_cell_length_c 4.63583000\n_cell_angle_alpha 52.32300000\n_cell_angle_beta 78.91902000\n_cell_angle_gamma 67.25516000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 100.71785592\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68853435 0.44479732 0.30748523 1\n C C1 1 0.95402417 -0.07604279 0.22584930 1\n C C2 1 0.54868896 0.73902713 -0.01997328 1\n C C3 1 0.68838511 0.44422554 0.62727750 1\n C C4 1 0.96018733 0.90888382 0.73411031 1\n C C5 1 0.40892480 1.03667758 0.00598681 1\n C C6 1 0.23305594 0.37910044 0.23978981 1\n C C7 1 0.86356317 0.10072849 0.88364952 1\n C C8 1 0.86339834 1.10079536 0.39444417 1\n C C9 1 0.40869495 0.03578426 0.32595524 1\n C C10 1 0.54904266 0.74206950 0.65304158 1\n C C11 1 0.23293191 0.38012179 0.75047921 1\n C C12 1 0.13570559 0.57145739 0.90048346 1\n C C13 1 0.14316320 0.55655217 0.40801356 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47807000\n_cell_length_b 2.47797000\n_cell_length_c 6.31108000\n_cell_angle_alpha 78.66733000\n_cell_angle_beta 89.99917000\n_cell_angle_gamma 59.96170000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67306544\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25572449 0.86017515 0.65681054 1\n C C1 1 0.11666111 0.13803131 0.23832656 1\n C C2 1 0.47705894 0.41555799 0.32262886 1\n C C3 1 0.56048718 0.24886405 0.57366245 1\n C C4 1 0.34007351 0.69411010 0.90387755 1\n C C5 1 0.03490688 0.30459410 -0.01277636 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48747000\n_cell_length_b 4.30529000\n_cell_length_c 4.30557000\n_cell_angle_alpha 131.81527000\n_cell_angle_beta 73.17446000\n_cell_angle_gamma 106.80863000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59385655\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56974373 1.01959082 0.53738613 1\n C C1 1 0.23641040 0.68625749 0.87071946 1\n C C2 1 0.06984453 0.76969581 0.28750900 1\n C C3 1 0.73651120 0.43636248 0.62084234 1\n C C4 1 -0.09692293 0.35292416 0.20405280 1\n C C5 1 0.40317787 0.10302914 0.95417567 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41975000\n_cell_length_b 5.42988000\n_cell_length_c 8.17975000\n_cell_angle_alpha 99.90793000\n_cell_angle_beta 89.41407000\n_cell_angle_gamma 89.95392000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 105.86454028\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01099427 0.48592211 0.33588082 1\n C C1 1 0.99923496 0.70123468 0.24521538 1\n C C2 1 0.51654519 0.94602870 0.08535224 1\n C C3 1 0.02650282 0.30782637 1.01976945 1\n C C4 1 0.47532939 0.84274205 0.68583482 1\n C C5 1 0.48772006 0.36284922 0.35190501 1\n C C6 1 1.01470087 0.57781459 1.04586242 1\n C C7 1 1.47197771 0.42217494 0.70080478 1\n C C8 1 0.51443358 0.69829168 0.98093016 1\n C C9 1 0.97439641 0.31943064 0.64135450 1\n C C10 1 -0.47304544 0.18732189 0.03586360 1\n C C11 1 0.97713377 0.90671347 0.62011651 1\n C C12 1 0.98116507 0.09532323 0.50959979 1\n C C13 1 0.48616229 0.10233775 0.40181322 1\n C C14 1 0.48292411 0.66834691 0.80137147 1\n C C15 1 0.49866049 0.87529197 0.25649112 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06211000\n_cell_length_b 2.43057000\n_cell_length_c 5.92001000\n_cell_angle_alpha 78.48104000\n_cell_angle_beta 95.06020000\n_cell_angle_gamma 89.35988000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.98628519\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39087242 0.60916821 0.34757072 1\n C C1 1 0.61642305 0.49789053 0.56879002 1\n C C2 1 0.28308971 0.16455719 0.23545668 1\n C C3 1 0.94975638 0.83122386 0.90212335 1\n C C4 1 0.72420575 0.94250154 0.68090405 1\n C C5 1 1.05753909 1.27583487 0.01423738 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48761000\n_cell_length_b 4.30345000\n_cell_length_c 4.30422000\n_cell_angle_alpha 99.59683000\n_cell_angle_beta 90.00759000\n_cell_angle_gamma 73.20424000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.43863426\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17919299 0.70467734 0.58606790 1\n C C1 1 0.92911779 0.20464528 0.33609455 1\n C C2 1 -0.25916842 0.57979025 0.39846145 1\n C C3 1 0.49075638 0.07975819 0.14848809 1\n C C4 1 0.99070891 0.07979395 0.64852814 1\n C C5 1 0.42908216 0.20467214 0.83610581 1\n C C6 1 0.67924046 0.70464158 0.08602786 1\n C C7 1 0.24086721 0.57976339 0.89845018 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47674000\n_cell_length_b 4.25667000\n_cell_length_c 5.94539000\n_cell_angle_alpha 111.00128000\n_cell_angle_beta 102.03319000\n_cell_angle_gamma 89.98357000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.04030705\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69069818 0.42529543 0.86592731 1\n C C1 1 0.48670452 0.89515770 0.45923046 1\n C C2 1 0.94734650 0.68102747 0.37895634 1\n C C3 1 0.14942072 0.55843723 0.78483287 1\n C C4 1 0.31623966 0.20284549 1.12175277 1\n C C5 1 0.45316499 0.20172105 0.38786858 1\n C C6 1 0.63004835 0.03706202 0.74454890 1\n C C7 1 0.81614752 0.41854026 0.12210170 1\n C C8 1 0.00965045 0.41419324 0.49981685 1\n C C9 1 0.18655292 0.93625091 0.85588973 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48005000\n_cell_length_b 3.68970000\n_cell_length_c 4.83114000\n_cell_angle_alpha 111.42867000\n_cell_angle_beta 104.66923000\n_cell_angle_gamma 109.76240000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96361998\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58541412 0.82668847 0.80986422 1\n C C1 1 0.54398062 0.24241609 0.31423811 1\n C C2 1 -0.14001010 0.30011983 0.88577617 1\n C C3 1 0.87604244 0.53918404 0.67898481 1\n C C4 1 0.56015366 0.48141254 0.10712551 1\n C C5 1 0.83477246 -0.04497097 0.18359458 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60817000\n_cell_length_b 4.64658000\n_cell_length_c 4.53346000\n_cell_angle_alpha 61.76946000\n_cell_angle_beta 54.12978000\n_cell_angle_gamma 74.91086000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.21480924\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48540615 0.30232050 0.32988704 1\n C C1 1 0.97442849 0.62646589 0.66795975 1\n C C2 1 0.11346427 0.30227259 0.70423956 1\n C C3 1 0.28806095 0.85821535 0.23927726 1\n C C4 1 0.79907369 0.07010799 0.13320410 1\n C C5 1 0.60258124 0.62675798 0.04213900 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.27488000\n_cell_length_b 3.69711000\n_cell_length_c 4.20531000\n_cell_angle_alpha 111.47605000\n_cell_angle_beta 119.58439000\n_cell_angle_gamma 83.39209000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.60841158\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85892931 0.49489068 0.83110234 1\n C C1 1 0.86245529 0.68170666 0.56375787 1\n C C2 1 0.53713515 0.63348990 0.89871867 1\n C C3 1 0.78026618 0.07940632 0.55308654 1\n C C4 1 0.19702120 0.53271923 0.19816227 1\n C C5 1 0.61599175 0.04928328 1.17627986 1\n C C6 1 0.53375085 0.44775493 0.16664926 1\n C C7 1 0.19863178 0.59304981 0.53105161 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48416000\n_cell_length_b 3.55977000\n_cell_length_c 6.77668000\n_cell_angle_alpha 82.48444000\n_cell_angle_beta 111.50707000\n_cell_angle_gamma 110.52324000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.21502936\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74520870 0.24011768 0.39063318 1\n C C1 1 0.57717767 0.86529801 0.91027778 1\n C C2 1 0.94764840 0.60691753 0.91015651 1\n C C3 1 0.32892237 0.86684858 0.66059990 1\n C C4 1 0.69965162 0.60862724 0.66075029 1\n C C5 1 0.53414740 0.23773751 0.18095382 1\n C C6 1 0.90392369 0.23617922 0.05193018 1\n C C7 1 0.37358046 0.23931983 0.51924645 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50740000\n_cell_length_b 3.41791000\n_cell_length_c 6.83153000\n_cell_angle_alpha 105.29060000\n_cell_angle_beta 111.53217000\n_cell_angle_gamma 68.47474000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.09592947\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00594403 0.98265315 0.27693871 1\n C C1 1 0.67818795 0.31075564 0.11293495 1\n C C2 1 0.00515979 -0.01730240 0.77691510 1\n C C3 1 1.17799292 0.51905568 0.21680046 1\n C C4 1 0.67757555 0.31080494 0.61292417 1\n C C5 1 0.50496476 0.19099763 0.88078060 1\n C C6 1 0.50557716 0.19094834 0.38079138 1\n C C7 1 0.17720868 0.51910012 0.71677685 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.76612000\n_cell_length_b 4.85542000\n_cell_length_c 6.98941000\n_cell_angle_alpha 73.64774000\n_cell_angle_beta 68.52455000\n_cell_angle_gamma 84.32449000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 144.42613962\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18829686 0.31722116 0.01643137 1\n C C1 1 0.03569473 0.77828724 0.86916883 1\n C C2 1 0.92448880 0.47516109 -0.01515628 1\n C C3 1 0.42581678 0.53063983 -0.01708236 1\n C C4 1 0.80599192 0.38469836 0.69527271 1\n C C5 1 0.35690879 0.83928576 0.85960118 1\n C C6 1 0.01246311 0.61244922 0.56534941 1\n C C7 1 0.70233842 0.26002563 0.58116942 1\n C C8 1 0.36521477 0.16334983 0.28942559 1\n C C9 1 1.34988297 0.00493998 0.50823132 1\n C C10 1 0.81715842 0.86038775 1.09403244 1\n C C11 1 0.71711347 0.55096353 0.19593601 1\n C C12 1 0.06728411 0.17197067 0.25541977 1\n C C13 1 0.70802299 0.35797895 -0.07888764 1\n C C14 1 0.86495766 0.39086568 0.35331813 1\n C C15 1 0.50449207 0.02672097 0.63499906 1\n C C16 1 0.57711254 0.07161992 0.07974733 1\n C C17 1 0.04110155 0.89751586 0.20091719 1\n C C18 1 0.32011622 0.01626525 1.00935829 1\n C C19 1 0.09992020 0.81154512 0.63723844 1\n C C20 1 0.09587793 0.61041028 0.33930075 1\n C C21 1 0.40388332 0.48896322 0.22071932 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49938000\n_cell_length_b 5.77821000\n_cell_length_c 7.37205000\n_cell_angle_alpha 106.20477000\n_cell_angle_beta 77.65899000\n_cell_angle_gamma 79.11038000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 96.30460181\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40634970 0.34640086 0.71419327 1\n C C1 1 0.05358757 -0.04551954 0.90834344 1\n C C2 1 0.11815651 0.42376151 0.92872889 1\n C C3 1 -0.03491984 0.23189189 -0.00716027 1\n C C4 1 0.42493506 0.70096759 0.47597258 1\n C C5 1 0.22674831 -0.01981899 0.53030420 1\n C C6 1 0.19015722 0.14859306 0.41054478 1\n C C7 1 0.93483720 0.88868318 0.09695337 1\n C C8 1 0.68064771 0.57112361 0.26484246 1\n C C9 1 0.65401848 -0.11189950 0.77642082 1\n C C10 1 0.90016518 0.64906433 1.09864127 1\n C C11 1 -0.22344001 0.31730776 0.19481701 1\n C C12 1 -0.12169239 0.64935547 0.58514455 1\n C C13 1 -0.04393080 0.39496079 0.60557158 1\n C C14 1 0.77118135 0.12120521 0.28260832 1\n C C15 1 0.61557756 0.06056537 0.65330634 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43957000\n_cell_length_b 3.49320000\n_cell_length_c 4.62131000\n_cell_angle_alpha 68.18874000\n_cell_angle_beta 89.83658000\n_cell_angle_gamma 85.18131000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.34426786\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79815039 0.72215878 -0.03443309 1\n C C1 1 0.73960023 0.97701637 0.62132645 1\n C C2 1 -0.00397865 0.81655052 0.45962425 1\n C C3 1 1.14013645 0.37783318 -0.02376908 1\n C C4 1 0.48338217 0.32158334 0.48586349 1\n C C5 1 0.42416897 0.57772948 1.14248131 1\n C C6 1 0.08255366 -0.07959841 0.13263154 1\n C C7 1 0.22729438 0.48073024 0.64895043 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28172000\n_cell_length_b 5.61416000\n_cell_length_c 4.64060000\n_cell_angle_alpha 110.44970000\n_cell_angle_beta 90.02581000\n_cell_angle_gamma 106.93236000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.13799528\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00917989 0.52628771 0.25544304 1\n C C1 1 0.11536070 0.74582967 0.59662933 1\n C C2 1 0.21940711 0.24530583 0.73717151 1\n C C3 1 0.91948783 -0.02693159 0.59737242 1\n C C4 1 0.55543962 0.85829143 0.77361492 1\n C C5 1 0.75451404 0.63638709 0.08546762 1\n C C6 1 0.75997168 0.90606161 0.27512676 1\n C C7 1 0.60750305 1.02422916 0.11240535 1\n C C8 1 0.48758698 0.36460477 0.57424439 1\n C C9 1 0.58593399 0.29833962 0.25364203 1\n C C10 1 0.33689874 0.41345771 0.07683623 1\n C C11 1 0.75153587 0.63514888 0.76514251 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43024000\n_cell_length_b 3.21259000\n_cell_length_c 6.58267000\n_cell_angle_alpha 59.13354000\n_cell_angle_beta 100.99481000\n_cell_angle_gamma 90.25561000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.03771585\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62277517 0.72379197 0.60882440 1\n C C1 1 0.95627489 0.39164079 0.27574837 1\n C C2 1 0.73336807 0.27884548 0.83056583 1\n C C3 1 0.28943375 0.05747091 -0.05752928 1\n C C4 1 0.40055960 0.61269973 0.16444597 1\n C C5 1 0.06695802 0.94591462 0.49731750 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64795000\n_cell_length_b 4.78186000\n_cell_length_c 4.44072000\n_cell_angle_alpha 84.87038000\n_cell_angle_beta 101.34284000\n_cell_angle_gamma 112.02887000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.39560860\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04580690 0.65050019 0.19767621 1\n C C1 1 0.75543047 0.36561062 0.65743477 1\n C C2 1 0.35815744 0.82168444 0.71977661 1\n C C3 1 0.14647750 0.54432661 0.52395008 1\n C C4 1 0.85767838 0.87488536 0.22645178 1\n C C5 1 0.36005948 0.33048013 0.47294046 1\n C C6 1 0.37747221 0.36248103 0.11805384 1\n C C7 1 0.06878891 1.00502890 0.54934252 1\n C C8 1 0.75259913 0.37786086 1.01477459 1\n C C9 1 0.95807130 0.14585686 0.02917080 1\n C C10 1 0.40783385 0.70240472 0.06904901 1\n C C11 1 0.78093481 1.05289106 0.70904842 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53087000\n_cell_length_b 6.03803000\n_cell_length_c 6.48176000\n_cell_angle_alpha 82.59350000\n_cell_angle_beta 84.06946000\n_cell_angle_gamma 78.26840000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 95.86877566\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27416706 0.42850633 0.63041853 1\n C C1 1 0.05154768 0.66849670 0.91925835 1\n C C2 1 0.49500660 0.97676965 0.56838350 1\n C C3 1 0.57904823 0.54720667 0.02510945 1\n C C4 1 0.36332952 0.15665615 0.39628477 1\n C C5 1 0.29664810 0.26863058 0.82001878 1\n C C6 1 0.29822003 0.78450262 0.32065824 1\n C C7 1 -0.25964459 0.30400071 0.95376180 1\n C C8 1 0.83916083 0.07019089 0.08687908 1\n C C9 1 0.33419095 0.02398369 0.21660119 1\n C C10 1 0.43319873 0.02030689 0.79050827 1\n C C11 1 0.42314532 0.57278767 0.25701892 1\n C C12 1 0.95034157 0.92616166 0.90659124 1\n C C13 1 1.09231520 0.82908251 0.53498007 1\n C C14 1 0.35951967 0.38334428 0.41610933 1\n C C15 1 0.12941813 0.63657651 0.69079436 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43066000\n_cell_length_b 4.20524000\n_cell_length_c 8.69915000\n_cell_angle_alpha 103.47368000\n_cell_angle_beta 96.45211000\n_cell_angle_gamma 90.10859000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.88716300\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54225348 0.18090240 0.30369433 1\n C C1 1 0.12966358 0.39967502 0.63799149 1\n C C2 1 0.37798338 0.64217264 -0.02954750 1\n C C3 1 0.62968062 0.89967993 0.63799567 1\n C C4 1 0.87801027 0.14217608 0.97045247 1\n C C5 1 0.37799093 0.30985322 0.97125103 1\n C C6 1 0.54239620 0.51384707 0.30296050 1\n C C7 1 0.62996455 0.23266696 0.63735788 1\n C C8 1 0.87801255 0.80984966 0.97124861 1\n C C9 1 1.04224637 0.68090002 0.30370568 1\n C C10 1 0.12993936 0.73267141 0.63734634 1\n C C11 1 0.04239191 1.01386320 0.30296639 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42693000\n_cell_length_b 6.53370000\n_cell_length_c 6.32503000\n_cell_angle_alpha 89.43073000\n_cell_angle_beta 101.39009000\n_cell_angle_gamma 56.79821000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.41187336\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50527696 1.00696863 0.70921552 1\n C C1 1 0.14226271 0.55919943 0.65499154 1\n C C2 1 -0.09237070 0.88813045 0.16302525 1\n C C3 1 0.31781484 0.91133724 1.05117048 1\n C C4 1 0.26931805 0.33274508 0.21473346 1\n C C5 1 0.40476770 0.45993776 -0.12212146 1\n C C6 1 0.36666906 0.01890985 0.46841064 1\n C C7 1 0.09637684 -0.01730923 0.82114793 1\n C C8 1 0.04545661 0.87549725 0.40364860 1\n C C9 1 1.00941057 0.43020326 -0.00845939 1\n C C10 1 0.92232151 0.26689286 0.32272293 1\n C C11 1 0.48744596 0.62681663 0.54818988 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48142000\n_cell_length_b 3.66711000\n_cell_length_c 5.57391000\n_cell_angle_alpha 109.30346000\n_cell_angle_beta 102.85839000\n_cell_angle_gamma 89.99594000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.51958767\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28707626 0.34607810 -0.04716401 1\n C C1 1 0.55154461 0.87179220 0.48626802 1\n C C2 1 1.05177777 0.11126229 0.48681539 1\n C C3 1 0.78702178 0.10674452 0.95263345 1\n C C4 1 0.39620366 0.71930881 0.17689973 1\n C C5 1 0.66542550 0.72421725 0.71152278 1\n C C6 1 0.16541784 0.48484460 0.71130461 1\n C C7 1 0.89636509 0.95873474 0.17745494 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43202000\n_cell_length_b 3.79706000\n_cell_length_c 4.87031000\n_cell_angle_alpha 94.87994000\n_cell_angle_beta 74.59013000\n_cell_angle_gamma 89.14443000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.16797087\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21249101 0.33529865 0.53159296 1\n C C1 1 0.43355725 0.78190045 0.08902920 1\n C C2 1 0.76689059 0.44856712 0.42236254 1\n C C3 1 1.10022392 0.11523379 0.75569587 1\n C C4 1 0.87915768 0.66863198 0.19825963 1\n C C5 1 0.54582435 1.00196531 0.86492630 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31965000\n_cell_length_b 3.91841000\n_cell_length_c 3.78579000\n_cell_angle_alpha 91.93500000\n_cell_angle_beta 84.03922000\n_cell_angle_gamma 74.23819000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.03782790\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47383375 0.51454351 1.09026869 1\n C C1 1 0.19755588 0.29905691 0.63498350 1\n C C2 1 0.52723356 0.91671003 0.62662218 1\n C C3 1 0.71510334 0.73732476 0.26286088 1\n C C4 1 0.27730435 0.65970501 0.78130444 1\n C C5 1 0.09913277 0.40578965 0.27307762 1\n C C6 1 0.84752816 0.89805972 0.91610271 1\n C C7 1 0.90008590 0.24957191 -0.03004002 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.49686000\n_cell_length_b 4.17359000\n_cell_length_c 6.03014000\n_cell_angle_alpha 82.05578000\n_cell_angle_beta 98.09878000\n_cell_angle_gamma 128.40286000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.61799991\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74420087 0.38268965 0.10960035 1\n C C1 1 0.04659491 0.54735102 0.27211900 1\n C C2 1 0.43317685 0.86622002 0.58348953 1\n C C3 1 0.41970337 0.38505984 0.11185855 1\n C C4 1 0.78665223 0.21304332 0.93849525 1\n C C5 1 0.48569436 1.05151553 0.77472921 1\n C C6 1 0.11181237 0.21158429 0.93606452 1\n C C7 1 0.15937091 0.04486635 0.77046932 1\n C C8 1 1.10141884 0.73887951 0.46062054 1\n C C9 1 0.37248975 0.55350537 0.27680224 1\n C C10 1 -0.06869599 -0.15600262 0.56948022 1\n C C11 1 0.60091724 0.75511370 0.47754047 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43167000\n_cell_length_b 4.24157000\n_cell_length_c 6.61622000\n_cell_angle_alpha 74.54098000\n_cell_angle_beta 65.40275000\n_cell_angle_gamma 93.99547000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.51911461\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03214826 0.86616301 0.89345698 1\n C C1 1 0.69946908 0.20051412 0.22652288 1\n C C2 1 0.94942918 0.45044023 0.47653124 1\n C C3 1 0.28210320 0.11605123 0.14348622 1\n C C4 1 0.78211948 0.61609167 0.64347712 1\n C C5 1 0.44947476 -0.04951293 0.97650153 1\n C C6 1 0.19947517 0.70055157 0.72651596 1\n C C7 1 0.53211467 0.36608640 0.39348647 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48124000\n_cell_length_b 3.68897000\n_cell_length_c 4.83866000\n_cell_angle_alpha 57.40325000\n_cell_angle_beta 104.80067000\n_cell_angle_gamma 109.66305000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98324670\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01595808 0.57541657 0.46434835 1\n C C1 1 0.55609663 0.15844008 0.96852870 1\n C C2 1 0.33389154 -0.08058727 0.76182853 1\n C C3 1 0.81445664 0.10181891 0.53976420 1\n C C4 1 0.13463617 0.44617739 0.83767576 1\n C C5 1 0.59418304 0.86294123 0.33342875 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43136000\n_cell_length_b 3.95722000\n_cell_length_c 4.64560000\n_cell_angle_alpha 83.72255000\n_cell_angle_beta 74.68333000\n_cell_angle_gamma 89.87522000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.83456615\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45905616 0.99296893 0.65213685 1\n C C1 1 0.12661178 0.66235569 0.31716091 1\n C C2 1 1.01357880 0.88026026 0.54221032 1\n C C3 1 0.68103463 0.54872760 0.20751403 1\n C C4 1 0.34746649 0.21540862 0.87422567 1\n C C5 1 0.79289505 0.32792791 0.98432023 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48045000\n_cell_length_b 4.83534000\n_cell_length_c 3.68732000\n_cell_angle_alpha 57.48062000\n_cell_angle_beta 109.61272000\n_cell_angle_gamma 104.77063000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97260200\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38840312 0.86128219 0.90780618 1\n C C1 1 0.81007041 0.99203180 0.62024295 1\n C C2 1 0.13265524 0.28996935 0.96468741 1\n C C3 1 0.61357483 0.06817084 0.14692660 1\n C C4 1 0.35684855 0.49652102 0.20384072 1\n C C5 1 0.93515345 0.36562890 0.49142914 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45269000\n_cell_length_b 6.02411000\n_cell_length_c 4.04374000\n_cell_angle_alpha 131.04358000\n_cell_angle_beta 89.99182000\n_cell_angle_gamma 101.69943000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.40441787\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43235900 0.56516566 0.39306053 1\n C C1 1 0.53980370 0.77999605 0.91979456 1\n C C2 1 0.01065717 0.72144939 1.05039742 1\n C C3 1 0.27255166 0.24286189 0.19708333 1\n C C4 1 0.96082979 0.62333865 0.26222800 1\n C C5 1 0.70232218 0.10253656 0.11700406 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48495000\n_cell_length_b 3.45381000\n_cell_length_c 5.85359000\n_cell_angle_alpha 83.09438000\n_cell_angle_beta 63.00473000\n_cell_angle_gamma 91.88156000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.01884259\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78935146 0.21136653 0.55216642 1\n C C1 1 0.07367580 0.58829665 0.38986154 1\n C C2 1 0.53478512 0.46603885 0.23305742 1\n C C3 1 0.49702146 0.22104497 0.83587035 1\n C C4 1 0.57524143 0.09058765 0.39078186 1\n C C5 1 0.00920226 0.73668866 0.80815721 1\n C C6 1 0.11863509 0.89333718 0.54328606 1\n C C7 1 -0.14395074 0.78592738 0.23310439 1\n C C8 1 0.14767053 0.93406903 0.95443982 1\n C C9 1 0.66279280 0.45424959 0.95437881 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43215000\n_cell_length_b 4.20423000\n_cell_length_c 6.24652000\n_cell_angle_alpha 65.27610000\n_cell_angle_beta 84.00702000\n_cell_angle_gamma 89.84442000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.64128539\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33943266 0.60249560 0.77112901 1\n C C1 1 0.20625721 0.31476330 0.26975233 1\n C C2 1 -0.16056734 0.10249560 0.77112901 1\n C C3 1 0.33994189 0.27013164 0.77033762 1\n C C4 1 0.70625721 0.81476330 0.26975233 1\n C C5 1 0.70574798 0.14712726 0.27054372 1\n C C6 1 0.20574798 0.64712726 0.27054372 1\n C C7 1 0.83994189 0.77013164 0.77033762 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45856000\n_cell_length_b 7.74567000\n_cell_length_c 4.01447000\n_cell_angle_alpha 63.40405000\n_cell_angle_beta 90.00928000\n_cell_angle_gamma 99.11343000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.27905458\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.18182603 0.84301932 0.98401635 1\n C C1 1 0.20457457 0.61316693 -0.16371979 1\n C C2 1 0.85936273 0.91862907 0.22311626 1\n C C3 1 0.30262218 0.81188674 0.81879532 1\n C C4 1 0.66155262 0.52780352 0.83432073 1\n C C5 1 0.56108435 0.32785924 0.85655281 1\n C C6 1 1.01003474 0.22094445 0.45237911 1\n C C7 1 0.48802251 0.17839282 0.30401389 1\n C C8 1 1.04578076 0.29630085 0.69149558 1\n C C9 1 0.38028198 0.96175065 0.37101423 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43238000\n_cell_length_b 4.24942000\n_cell_length_c 5.99800000\n_cell_angle_alpha 122.78587000\n_cell_angle_beta 81.32851000\n_cell_angle_gamma 122.44855000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.12110260\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70485026 0.06427121 0.24007856 1\n C C1 1 0.70488612 0.73116631 0.57337630 1\n C C2 1 0.70436055 0.39724855 0.90717032 1\n C C3 1 0.37061567 0.61906198 1.01805545 1\n C C4 1 0.37119007 0.28638766 0.35090590 1\n C C5 1 0.37084822 0.95264958 0.68450046 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48147000\n_cell_length_b 3.68938000\n_cell_length_c 4.21813000\n_cell_angle_alpha 75.10351000\n_cell_angle_beta 89.92816000\n_cell_angle_gamma 70.33867000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98917289\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83118638 -0.06118065 0.87871341 1\n C C1 1 0.09155742 0.42378211 0.44979375 1\n C C2 1 0.63237276 0.33717777 0.95364301 1\n C C3 1 1.05426577 0.49327424 0.08487003 1\n C C4 1 0.31177847 0.97853163 0.65636581 1\n C C5 1 0.51300019 0.58101591 0.58047240 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43049000\n_cell_length_b 3.50864000\n_cell_length_c 5.21754000\n_cell_angle_alpha 87.38896000\n_cell_angle_beta 102.88020000\n_cell_angle_gamma 90.54697000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.32911457\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79221190 0.28003617 0.30232260 1\n C C1 1 0.90249934 0.50217679 0.52556740 1\n C C2 1 0.45935040 0.61099149 0.63690568 1\n C C3 1 0.23552880 0.17064731 0.19102711 1\n C C4 1 0.56981667 0.83446181 0.85937909 1\n C C5 1 0.12656439 -0.05582608 0.97056091 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46278000\n_cell_length_b 3.39593000\n_cell_length_c 5.30003000\n_cell_angle_alpha 85.45313000\n_cell_angle_beta 89.99743000\n_cell_angle_gamma 68.70325000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.14974939\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19672370 0.34896334 0.64443653 1\n C C1 1 0.15851994 0.41726796 0.36877632 1\n C C2 1 0.64390802 0.44604223 0.24204988 1\n C C3 1 0.02158397 0.70089322 0.83960171 1\n C C4 1 0.61619019 0.51064961 -0.03333581 1\n C C5 1 0.79320307 0.15656654 0.76983536 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39988000\n_cell_length_b 5.23009000\n_cell_length_c 3.39894000\n_cell_angle_alpha 63.25940000\n_cell_angle_beta 93.86324000\n_cell_angle_gamma 63.25179000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.35540824\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64335239 0.44082564 0.11401982 1\n C C1 1 0.12425384 0.44094181 0.63319163 1\n C C2 1 0.06953717 0.20587199 0.54026250 1\n C C3 1 0.55047325 0.20581137 1.05937446 1\n C C4 1 0.89701297 0.99559398 0.88664598 1\n C C5 1 0.29692407 0.65085304 0.28672641 1\n C C6 1 0.54302229 -0.00742284 0.53303464 1\n C C7 1 0.65023082 0.65440211 0.64014467 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46576000\n_cell_length_b 3.20117000\n_cell_length_c 7.40032000\n_cell_angle_alpha 88.12013000\n_cell_angle_beta 80.43637000\n_cell_angle_gamma 67.35660000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.13009167\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57456019 0.62772370 0.59291751 1\n C C1 1 0.84901815 0.65865565 1.01635450 1\n C C2 1 0.30667496 1.00422091 0.75157577 1\n C C3 1 0.12939273 0.62685076 0.48524796 1\n C C4 1 0.66994072 0.28008824 0.75030926 1\n C C5 1 0.40356196 0.65619710 0.90865933 1\n C C6 1 0.76118431 0.65231989 0.20108579 1\n C C7 1 0.21407618 0.64553883 0.30080690 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33374000\n_cell_length_b 4.70520000\n_cell_length_c 4.68306000\n_cell_angle_alpha 104.54878000\n_cell_angle_beta 110.84075000\n_cell_angle_gamma 44.83160000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.40128544\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05831004 0.92349363 0.15829384 1\n C C1 1 0.65666467 0.86319540 0.99187645 1\n C C2 1 0.69561053 0.14827447 0.64168967 1\n C C3 1 0.72927997 0.57061872 0.14519417 1\n C C4 1 0.68022797 0.82196862 0.66123572 1\n C C5 1 -0.03185967 0.18980078 -0.02768246 1\n C C6 1 0.05145665 1.08825491 0.47510322 1\n C C7 1 0.02992095 0.44107328 0.48821498 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47535000\n_cell_length_b 3.72265000\n_cell_length_c 4.24749000\n_cell_angle_alpha 64.03580000\n_cell_angle_beta 90.00742000\n_cell_angle_gamma 89.95058000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18952363\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45036530 0.26651486 0.13941147 1\n C C1 1 0.95016525 0.31263411 0.63853889 1\n C C2 1 -0.04946208 0.72112334 0.63854434 1\n C C3 1 0.95038805 0.15566666 0.36054102 1\n C C4 1 0.45040450 0.10998067 0.86108179 1\n C C5 1 0.45070869 0.70146005 0.86139899 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46122000\n_cell_length_b 9.30263000\n_cell_length_c 6.54270000\n_cell_angle_alpha 61.60344000\n_cell_angle_beta 90.19374000\n_cell_angle_gamma 74.53503000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 125.49856444\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47720582 0.50305983 0.42350267 1\n C C1 1 1.01496557 0.47486949 0.12280846 1\n C C2 1 0.26164289 0.73400665 0.83236033 1\n C C3 1 0.96363295 0.52446094 0.72724356 1\n C C4 1 -0.14844889 0.14414381 0.76921434 1\n C C5 1 0.98994609 0.48921122 0.33049641 1\n C C6 1 0.38968120 0.10612144 0.70221935 1\n C C7 1 0.35882874 0.13901755 0.29521264 1\n C C8 1 0.48134787 1.01483592 0.56244170 1\n C C9 1 0.67530801 0.82860053 0.30875085 1\n C C10 1 0.09560696 0.90241603 0.59341935 1\n C C11 1 0.21380846 0.78473235 0.02102229 1\n C C12 1 0.69769289 0.80220259 0.11417722 1\n C C13 1 0.77673373 0.21984639 0.92648066 1\n C C14 1 0.87330251 0.62021318 0.87151052 1\n C C15 1 0.42904375 0.55632191 0.58852225 1\n C C16 1 0.10743639 0.89544992 0.35652462 1\n C C17 1 0.90710426 0.09051759 0.20231068 1\n C C18 1 0.16763532 0.32725528 0.90773943 1\n C C19 1 0.17495148 0.32169879 0.13696980 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.16570000\n_cell_length_b 5.80751000\n_cell_length_c 5.94249000\n_cell_angle_alpha 74.68641000\n_cell_angle_beta 101.12790000\n_cell_angle_gamma 121.70095000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 117.71315210\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54400411 0.31699162 -0.01651377 1\n C C1 1 0.21834664 0.65893843 -0.02699590 1\n C C2 1 0.56773310 0.75607806 0.12798362 1\n C C3 1 0.26641018 0.10350250 0.13505163 1\n C C4 1 0.55339092 0.62900757 0.37231429 1\n C C5 1 0.18757002 0.41544389 0.43599891 1\n C C6 1 0.50913185 0.41437126 0.75671928 1\n C C7 1 0.48469260 0.97666117 0.61288410 1\n C C8 1 0.78633277 0.62864173 0.60581709 1\n C C9 1 0.15178192 0.28453025 0.66208497 1\n C C10 1 0.15905612 0.75703847 0.72061463 1\n C C11 1 0.90074341 0.44798236 0.07899374 1\n C C12 1 0.83417749 0.07344142 0.76812882 1\n C C13 1 0.49914406 0.10437358 0.36915906 1\n C C14 1 0.86462713 0.31859686 0.30581505 1\n C C15 1 0.89353558 -0.02480276 0.01969409 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44533000\n_cell_length_b 4.76121000\n_cell_length_c 6.03528000\n_cell_angle_alpha 88.57482000\n_cell_angle_beta 94.84799000\n_cell_angle_gamma 84.09521000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.60430998\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34620150 1.04125806 0.02713786 1\n C C1 1 -0.05077320 0.18804101 0.34952444 1\n C C2 1 0.71623205 0.93469708 0.66080700 1\n C C3 1 0.34790171 0.55820556 0.83752989 1\n C C4 1 0.34832701 0.37173693 0.03291527 1\n C C5 1 0.85496383 0.69606700 0.28278988 1\n C C6 1 0.81722074 0.66463454 0.52053187 1\n C C7 1 0.49609351 0.19349522 0.50055825 1\n C C8 1 0.87960675 0.42912616 0.17900560 1\n C C9 1 1.28186175 -0.11535266 0.81300490 1\n C C10 1 0.38602194 0.48902954 0.60334944 1\n C C11 1 0.88887210 0.96599766 0.17383540 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42644000\n_cell_length_b 5.84422000\n_cell_length_c 4.22834000\n_cell_angle_alpha 133.69742000\n_cell_angle_beta 90.01993000\n_cell_angle_gamma 89.98697000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.35141099\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78797427 0.81609879 0.32310262 1\n C C1 1 0.28798284 0.65915275 0.18843448 1\n C C2 1 0.28780721 0.24926033 0.18914412 1\n C C3 1 -0.21213666 0.16559120 0.61169196 1\n C C4 1 0.78782775 0.22615518 0.32282250 1\n C C5 1 1.28794039 0.30970856 0.90011602 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.80223000\n_cell_length_b 4.02259000\n_cell_length_c 4.86571000\n_cell_angle_alpha 64.88923000\n_cell_angle_beta 72.19087000\n_cell_angle_gamma 61.40563000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.24057321\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49744105 0.08408645 1.07816298 1\n C C1 1 0.87831588 0.70316374 0.07863786 1\n C C2 1 0.43933871 0.64635904 0.57861265 1\n C C3 1 0.22912497 0.05044828 0.38856604 1\n C C4 1 0.28730544 0.48801991 0.88812062 1\n C C5 1 0.84798646 0.43144138 0.38794735 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.00840000\n_cell_length_b 3.55523000\n_cell_length_c 3.28790000\n_cell_angle_alpha 103.46816000\n_cell_angle_beta 100.52521000\n_cell_angle_gamma 112.47643000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.14702742\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12687256 0.96778518 0.38991516 1\n C C1 1 -0.15610141 0.26183451 0.78776210 1\n C C2 1 0.58342092 0.51977842 0.25233676 1\n C C3 1 0.29374842 0.78757935 0.71594030 1\n C C4 1 0.83450356 0.59121604 0.11104492 1\n C C5 1 0.09576623 0.33430554 0.64962946 1\n C C6 1 0.38518014 0.06748814 0.18599451 1\n C C7 1 0.55233238 0.88573162 0.51277239 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54303000\n_cell_length_b 4.14380000\n_cell_length_c 10.11736000\n_cell_angle_alpha 92.57935000\n_cell_angle_beta 75.38928000\n_cell_angle_gamma 89.18881000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.02667008\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10867773 0.70407395 0.51063996 1\n C C1 1 0.58646040 0.83062589 0.99206844 1\n C C2 1 0.35158931 0.52696194 0.25150728 1\n C C3 1 0.39047940 0.17134522 0.63146660 1\n C C4 1 0.04140612 0.67565299 0.04867855 1\n C C5 1 0.44908564 0.40972817 0.83686973 1\n C C6 1 0.14667781 0.33787673 0.98213705 1\n C C7 1 0.15055481 0.51788367 0.63597387 1\n C C8 1 0.71361461 0.18969701 0.39494545 1\n C C9 1 0.86855835 0.04949722 0.24497675 1\n C C10 1 0.58540461 -0.06520133 0.50687920 1\n C C11 1 0.43032288 0.19535778 0.18515744 1\n C C12 1 0.89315954 0.69545924 0.20702824 1\n C C13 1 0.67812427 0.73542987 0.84467151 1\n C C14 1 0.79943523 0.24802483 0.70561106 1\n C C15 1 1.20624459 0.42051771 0.39849337 1\n C C16 1 0.23390236 0.67700087 0.76943712 1\n C C17 1 0.58696073 0.17627655 1.03158278 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48227000\n_cell_length_b 4.58131000\n_cell_length_c 3.74100000\n_cell_angle_alpha 90.01977000\n_cell_angle_beta 90.00358000\n_cell_angle_gamma 122.85997000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.73593988\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96410052 0.84907315 0.65423586 1\n C C1 1 0.46423080 0.84923400 0.42498779 1\n C C2 1 0.75944895 0.14473321 0.15807861 1\n C C3 1 0.66826404 0.55437447 0.92142623 1\n C C4 1 0.25937351 0.14473341 0.92149125 1\n C C5 1 0.16831107 0.55435015 0.15786246 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48752000\n_cell_length_b 3.51771000\n_cell_length_c 4.30421000\n_cell_angle_alpha 114.11990000\n_cell_angle_beta 73.20399000\n_cell_angle_gamma 90.02176000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60871456\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42397699 0.95639981 0.95973421 1\n C C1 1 0.92424845 0.20592636 0.95952991 1\n C C2 1 0.59108955 0.53914532 0.62615910 1\n C C3 1 0.25770527 0.87252984 0.29288020 1\n C C4 1 1.09079942 0.28969971 0.62639434 1\n C C5 1 0.75745343 0.62307556 0.29311695 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47343000\n_cell_length_b 4.28161000\n_cell_length_c 4.80252000\n_cell_angle_alpha 116.48457000\n_cell_angle_beta 104.90662000\n_cell_angle_gamma 90.01639000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.59982575\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.34792878 0.35396270 0.21245013 1\n C C1 1 0.90989397 0.25012073 0.33829190 1\n C C2 1 0.66004769 0.66643239 0.83830305 1\n C C3 1 0.59790323 0.93692527 0.71245989 1\n C C4 1 0.16021181 0.16650327 0.83838128 1\n C C5 1 0.84775352 0.85390797 0.21239942 1\n C C6 1 0.40980702 0.75018613 0.33834780 1\n C C7 1 0.09779110 0.43685754 0.71238562 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.62360000\n_cell_length_b 3.87891000\n_cell_length_c 4.83169000\n_cell_angle_alpha 76.25344000\n_cell_angle_beta 67.86334000\n_cell_angle_gamma 45.42243000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.77117357\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25841709 0.67922784 0.47028527 1\n C C1 1 0.87612727 -0.31959097 0.47066329 1\n C C2 1 0.22129795 0.68071379 0.77921080 1\n C C3 1 0.60353175 0.67971993 0.77872004 1\n C C4 1 0.81759930 0.67971797 -0.02981357 1\n C C5 1 0.66205475 0.68028864 0.27926286 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42991000\n_cell_length_b 2.42990000\n_cell_length_c 8.45773000\n_cell_angle_alpha 94.50843000\n_cell_angle_beta 94.02742000\n_cell_angle_gamma 59.98088000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.07793198\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36971805 0.87527654 0.21240904 1\n C C1 1 0.65758718 0.96870475 0.87825363 1\n C C2 1 0.03576392 0.54242156 0.21238186 1\n C C3 1 0.71827538 0.32478964 0.54448067 1\n C C4 1 0.38546876 -0.00908090 0.54438546 1\n C C5 1 0.32484402 0.63567422 0.87859644 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47661000\n_cell_length_b 4.84566000\n_cell_length_c 4.80887000\n_cell_angle_alpha 68.01357000\n_cell_angle_beta 90.25164000\n_cell_angle_gamma 59.82005000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.90431573\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11829118 0.31414913 0.82808508 1\n C C1 1 0.48853788 -0.05586197 0.82806029 1\n C C2 1 0.23316581 0.70028797 0.31655482 1\n C C3 1 -0.06004758 0.49241561 0.47194699 1\n C C4 1 0.19538815 0.73634029 -0.01689411 1\n C C5 1 1.31039311 0.12233550 0.47193769 1\n C C6 1 -0.13819842 0.06989808 0.31641213 1\n C C7 1 0.56670456 0.36686368 0.98320881 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46127000\n_cell_length_b 4.91532000\n_cell_length_c 3.35624000\n_cell_angle_alpha 102.46581000\n_cell_angle_beta 104.45965000\n_cell_angle_gamma 114.57226000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.31734882\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94682823 0.04186434 0.94991254 1\n C C1 1 0.38820805 0.27505915 0.42925415 1\n C C2 1 0.36517745 0.04164498 0.67578723 1\n C C3 1 1.09943432 0.48588679 0.53510666 1\n C C4 1 0.54353040 0.71991792 0.01581735 1\n C C5 1 0.12435084 0.71965473 0.28876047 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51027000\n_cell_length_b 3.42747000\n_cell_length_c 6.53003000\n_cell_angle_alpha 82.62679000\n_cell_angle_beta 84.44289000\n_cell_angle_gamma 87.43275000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.50752524\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54231721 0.94339708 0.49243906 1\n C C1 1 0.48840389 0.18757894 0.14386314 1\n C C2 1 1.04871986 0.44912116 0.47363311 1\n C C3 1 0.74144337 0.12485090 0.81956702 1\n C C4 1 0.86630225 0.08242678 0.60483710 1\n C C5 1 0.72068824 0.64159893 0.35851171 1\n C C6 1 0.75750361 0.87790678 0.15448495 1\n C C7 1 0.18290246 0.75596492 0.61264195 1\n C C8 1 0.20176697 0.62157409 0.84241122 1\n C C9 1 0.45981664 0.34278859 0.92832893 1\n C C10 1 0.41626529 0.31362619 0.35460353 1\n C C11 1 0.92490259 0.84128832 0.95286147 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49092000\n_cell_length_b 3.59409000\n_cell_length_c 4.35082000\n_cell_angle_alpha 84.29928000\n_cell_angle_beta 106.63333000\n_cell_angle_gamma 110.30245000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00263266\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93061882 0.84840764 0.33677453 1\n C C1 1 0.01245725 0.21802077 0.13116793 1\n C C2 1 0.53662949 0.84840438 0.54922293 1\n C C3 1 0.64132034 0.47716402 0.13109958 1\n C C4 1 0.82254458 0.21794412 0.75485757 1\n C C5 1 0.45300122 0.47741188 0.75484925 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.52977000\n_cell_length_b 4.82371000\n_cell_length_c 7.16027000\n_cell_angle_alpha 102.01608000\n_cell_angle_beta 84.09621000\n_cell_angle_gamma 96.02427000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 118.17320463\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59946232 0.22703113 0.28383761 1\n C C1 1 0.68851500 0.10519856 0.77413426 1\n C C2 1 1.22927321 1.03447189 0.56073294 1\n C C3 1 0.28644378 0.51309488 0.76009587 1\n C C4 1 0.72497572 0.95570488 0.18931544 1\n C C5 1 0.63686583 0.73924299 0.29057422 1\n C C6 1 0.95425788 0.91701834 1.01426618 1\n C C7 1 0.81928797 0.96795572 0.60074970 1\n C C8 1 0.09292520 0.65236223 -0.06312303 1\n C C9 1 -0.01342176 0.15571811 0.91405356 1\n C C10 1 0.31070039 0.19586109 0.76912901 1\n C C11 1 -0.04081124 0.43697045 0.03694701 1\n C C12 1 0.36598693 0.54123689 0.57303922 1\n C C13 1 0.37860731 0.26762842 0.45359403 1\n C C14 1 0.49628929 0.80235091 0.49437707 1\n C C15 1 0.74233258 0.47151999 0.20794701 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45107000\n_cell_length_b 5.00185000\n_cell_length_c 7.59497000\n_cell_angle_alpha 85.08009000\n_cell_angle_beta 84.57012000\n_cell_angle_gamma 100.59013000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 90.60908059\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63231679 -0.02357915 0.07924396 1\n C C1 1 0.33610204 0.69510024 0.43819027 1\n C C2 1 0.75738182 0.36672298 0.28316113 1\n C C3 1 0.70228135 0.15426477 0.18075713 1\n C C4 1 0.00494930 0.44027046 0.81773799 1\n C C5 1 0.91034670 1.01638996 0.59918272 1\n C C6 1 0.57688771 0.76228998 0.97880773 1\n C C7 1 0.43477525 0.12201956 0.65385764 1\n C C8 1 0.05237962 0.65467041 0.92566837 1\n C C9 1 0.86245939 0.80298512 0.49058522 1\n C C10 1 0.48017236 0.33438343 0.76342119 1\n C C11 1 0.28249335 0.47475525 0.33554234 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43257000\n_cell_length_b 3.08731000\n_cell_length_c 7.70373000\n_cell_angle_alpha 91.99547000\n_cell_angle_beta 89.83393000\n_cell_angle_gamma 89.54048000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.81852826\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14257448 0.55620662 0.82539533 1\n C C1 1 0.64263326 0.63994571 0.74162160 1\n C C2 1 0.14273588 0.04915127 0.32424339 1\n C C3 1 0.14254538 0.37871508 -0.01021393 1\n C C4 1 0.64249855 0.29606300 0.07363995 1\n C C5 1 0.64271702 0.12753180 0.23959805 1\n C C6 1 0.64278085 0.81304188 0.57652449 1\n C C7 1 1.14279908 0.89173413 0.49181431 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42972000\n_cell_length_b 2.43041000\n_cell_length_c 8.46815000\n_cell_angle_alpha 98.25943000\n_cell_angle_beta 90.25149000\n_cell_angle_gamma 59.98701000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.71887180\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12532992 0.22936238 0.82317864 1\n C C1 1 0.81826083 0.71631628 0.48892739 1\n C C2 1 0.68253621 0.11792662 0.15125751 1\n C C3 1 0.01552259 0.45145682 0.15118456 1\n C C4 1 0.45888757 0.56261422 0.82313203 1\n C C5 1 1.15121709 0.05020918 0.48957827 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.54750000\n_cell_length_b 3.54514000\n_cell_length_c 6.88311000\n_cell_angle_alpha 54.56804000\n_cell_angle_beta 79.11614000\n_cell_angle_gamma 60.59887000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.88687635\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31730203 0.62794558 0.30371529 1\n C C1 1 -0.33809314 0.38765917 0.50289999 1\n C C2 1 0.20437498 0.47419185 0.80144245 1\n C C3 1 0.09931507 0.27857065 0.40446647 1\n C C4 1 0.39839173 0.92919052 0.87910551 1\n C C5 1 0.70322266 0.84345909 0.70177888 1\n C C6 1 1.04759395 0.22897271 0.20389798 1\n C C7 1 1.26887302 0.49487458 1.00255086 1\n C C8 1 0.45446544 0.72677996 0.60099232 1\n C C9 1 0.58109565 0.49901840 0.12657795 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43019000\n_cell_length_b 5.78131000\n_cell_length_c 6.70861000\n_cell_angle_alpha 78.70680000\n_cell_angle_beta 111.56964000\n_cell_angle_gamma 90.31741000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.72771130\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95180544 0.32977219 0.99364709 1\n C C1 1 0.17619953 0.21987865 0.21609380 1\n C C2 1 1.28611132 0.66269964 0.32706832 1\n C C3 1 0.78598148 0.16283521 0.32710121 1\n C C4 1 0.00950459 0.05351201 0.54973979 1\n C C5 1 0.84246590 0.88729635 0.88345854 1\n C C6 1 0.45169391 0.82985937 0.99366617 1\n C C7 1 0.67629303 0.71982404 0.21607161 1\n C C8 1 1.11975371 0.49666643 0.66080139 1\n C C9 1 0.61954135 -0.00311612 0.66086310 1\n C C10 1 0.34261936 0.38715669 0.88342550 1\n C C11 1 0.50972189 0.55332556 0.54968237 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.70069000\n_cell_length_b 4.20465000\n_cell_length_c 4.28473000\n_cell_angle_alpha 60.28709000\n_cell_angle_beta 82.24178000\n_cell_angle_gamma 68.29941000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.70479403\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14765290 -0.04057964 0.28877901 1\n C C1 1 0.33360206 0.22704351 0.29077970 1\n C C2 1 0.23453788 0.92737914 -0.04849303 1\n C C3 1 0.77594022 0.57296889 0.53410509 1\n C C4 1 0.74823762 0.94953483 0.36951343 1\n C C5 1 0.29389551 0.59447380 -0.04705159 1\n C C6 1 0.19132469 0.29566061 0.61332443 1\n C C7 1 0.37562751 0.56425796 0.61492765 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.24662000\n_cell_length_b 4.83653000\n_cell_length_c 3.63583000\n_cell_angle_alpha 67.75120000\n_cell_angle_beta 114.81926000\n_cell_angle_gamma 120.04634000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.81158290\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44715249 0.55812081 0.02630806 1\n C C1 1 0.44661680 0.55899864 0.64275332 1\n C C2 1 0.44932546 0.86840638 0.98870970 1\n C C3 1 0.44838040 0.05743512 0.58631500 1\n C C4 1 0.44808995 0.36912600 0.42868319 1\n C C5 1 0.44927660 0.86744465 0.37203553 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.62396000\n_cell_length_b 3.66397000\n_cell_length_c 4.68198000\n_cell_angle_alpha 67.03355000\n_cell_angle_beta 73.67772000\n_cell_angle_gamma 90.21418000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.44575864\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92792180 0.50466139 0.23748463 1\n C C1 1 1.08734590 0.54089641 0.91368381 1\n C C2 1 0.92618969 0.87902727 0.23796622 1\n C C3 1 0.20281282 -0.03027942 0.68231523 1\n C C4 1 1.08746189 0.16619582 -0.08610337 1\n C C5 1 -0.18745080 0.07651613 0.46946857 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47195000\n_cell_length_b 3.59931000\n_cell_length_c 7.24200000\n_cell_angle_alpha 104.46270000\n_cell_angle_beta 100.05308000\n_cell_angle_gamma 90.04650000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.36783581\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96515895 0.71172271 0.12411823 1\n C C1 1 0.40103299 0.64874264 0.99861122 1\n C C2 1 0.60645407 1.05620586 0.40230523 1\n C C3 1 0.04279776 0.08593087 0.27882364 1\n C C4 1 0.24710683 0.49105364 0.68254313 1\n C C5 1 0.60680377 0.64795497 0.40248759 1\n C C6 1 1.04327756 0.49395637 0.27891221 1\n C C7 1 0.32418661 0.26717190 0.84081470 1\n C C8 1 0.32369080 -0.12757271 0.84111571 1\n C C9 1 0.68376995 0.42918354 0.55721233 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47764000\n_cell_length_b 2.47821000\n_cell_length_c 6.31061000\n_cell_angle_alpha 89.99508000\n_cell_angle_beta 101.31337000\n_cell_angle_gamma 120.03503000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67256545\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64337395 0.29183428 0.99139938 1\n C C1 1 0.53305968 0.73496616 0.32661529 1\n C C2 1 0.25526118 0.59872909 0.90840378 1\n C C3 1 0.09121029 0.51682754 0.66119424 1\n C C4 1 0.81011164 0.37340705 0.24237508 1\n C C5 1 0.70180906 0.82141057 0.57763413 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48260000\n_cell_length_b 4.26759000\n_cell_length_c 8.22760000\n_cell_angle_alpha 46.02972000\n_cell_angle_beta 72.41080000\n_cell_angle_gamma 89.96680000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.95365848\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54098298 -0.08451906 0.13053484 1\n C C1 1 -0.05007056 0.78619297 0.72296905 1\n C C2 1 0.47245443 0.48200819 0.19798808 1\n C C3 1 -0.03987953 -0.01910242 0.21140248 1\n C C4 1 0.08398330 0.47296708 0.08711489 1\n C C5 1 0.82473500 0.29394613 0.84731158 1\n C C6 1 1.20830588 0.99531886 0.46384758 1\n C C7 1 0.43664377 0.28533625 0.73643937 1\n C C8 1 0.36905327 0.85181332 0.80380855 1\n C C9 1 0.70206736 -0.22769331 0.47056289 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43209000\n_cell_length_b 4.86094000\n_cell_length_c 6.08088000\n_cell_angle_alpha 67.77315000\n_cell_angle_beta 99.97313000\n_cell_angle_gamma 120.20668000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.49847001\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38015916 0.13964312 0.59091091 1\n C C1 1 0.63100012 0.70192161 0.09138915 1\n C C2 1 0.96484484 0.53494047 0.09148984 1\n C C3 1 0.71400388 0.97266198 0.59101160 1\n C C4 1 0.71400388 0.47266198 0.59101160 1\n C C5 1 -0.03515516 1.03494047 0.09148984 1\n C C6 1 0.63100012 1.20192161 0.09138915 1\n C C7 1 0.38015916 0.63964312 0.59091091 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44290000\n_cell_length_b 6.25459000\n_cell_length_c 4.20017000\n_cell_angle_alpha 73.91920000\n_cell_angle_beta 89.93756000\n_cell_angle_gamma 101.21524000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.38422735\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84819717 0.59260307 0.64981107 1\n C C1 1 0.31831411 0.54211666 0.16915377 1\n C C2 1 0.52772455 0.94777444 0.37592281 1\n C C3 1 0.62854163 0.14785800 0.11352175 1\n C C4 1 0.82347550 0.55214811 0.32188284 1\n C C5 1 -0.02589668 0.84269284 0.49178373 1\n C C6 1 0.30230664 0.50219806 -0.15909007 1\n C C7 1 0.18140929 0.25258333 0.99757260 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48848000\n_cell_length_b 5.44486000\n_cell_length_c 4.52952000\n_cell_angle_alpha 51.07658000\n_cell_angle_beta 51.98653000\n_cell_angle_gamma 43.51707000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.97871606\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64789704 0.80287944 0.78759191 1\n C C1 1 0.70853040 0.30185325 0.72599095 1\n C C2 1 0.24430256 0.61144797 0.57428741 1\n C C3 1 0.30493452 0.11039659 0.51276034 1\n C C4 1 0.26463633 0.80447099 0.16734759 1\n C C5 1 0.68806354 0.10889637 0.13297489 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47482000\n_cell_length_b 4.80390000\n_cell_length_c 4.80438000\n_cell_angle_alpha 118.04762000\n_cell_angle_beta 104.92310000\n_cell_angle_gamma 104.93249000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.64169555\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00443560 0.80035633 0.30720565 1\n C C1 1 0.32908446 0.19653737 0.57746890 1\n C C2 1 -0.00411753 0.11312264 -0.00583037 1\n C C3 1 0.99565735 0.30029074 0.80713520 1\n C C4 1 1.32927184 0.38387147 0.39063071 1\n C C5 1 0.32932031 0.88376777 0.89070501 1\n C C6 1 -0.00415140 0.61322579 0.49420175 1\n C C7 1 0.32892497 0.69643000 0.07753294 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32601000\n_cell_length_b 6.04437000\n_cell_length_c 4.72379000\n_cell_angle_alpha 108.71773000\n_cell_angle_beta 96.94605000\n_cell_angle_gamma 86.81153000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 89.26831603\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34394117 0.25028757 0.53985153 1\n C C1 1 0.55239799 0.46409952 0.14558655 1\n C C2 1 0.23047148 0.13694489 0.23914127 1\n C C3 1 0.65457316 0.56820103 0.94062409 1\n C C4 1 1.02748287 0.93209789 0.22393629 1\n C C5 1 0.02659683 0.93222355 0.53723796 1\n C C6 1 0.33435755 0.24085781 1.03441684 1\n C C7 1 0.65417253 0.56742883 0.45309450 1\n C C8 1 0.54127329 0.45408267 0.64026130 1\n C C9 1 0.85737173 0.77330598 0.64347160 1\n C C10 1 0.23042557 0.13775063 0.72734734 1\n C C11 1 -0.14279238 0.77340322 -0.04314966 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53785000\n_cell_length_b 2.47022000\n_cell_length_c 7.73321000\n_cell_angle_alpha 89.99950000\n_cell_angle_beta 89.57478000\n_cell_angle_gamma 89.98456000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.47852649\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67941720 1.10003662 0.68962834 1\n C C1 1 0.17684143 0.59997403 0.91070697 1\n C C2 1 0.68258652 0.59999567 0.57801001 1\n C C3 1 1.17575462 0.09997131 0.80754670 1\n C C4 1 0.18894942 0.09992128 0.18004343 1\n C C5 1 0.18908633 0.09994690 0.35729751 1\n C C6 1 0.18628618 0.59998976 0.46038777 1\n C C7 1 0.18678261 0.59995323 0.08788547 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39182000\n_cell_length_b 3.32824000\n_cell_length_c 6.55650000\n_cell_angle_alpha 61.03082000\n_cell_angle_beta 102.81313000\n_cell_angle_gamma 85.44601000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.60925757\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11875279 0.63077859 0.22041815 1\n C C1 1 0.70478343 0.91202355 0.42507047 1\n C C2 1 0.79417732 0.93242671 0.22068254 1\n C C3 1 0.83607552 0.49190669 0.67580173 1\n C C4 1 0.50756691 0.34573826 -0.01478301 1\n C C5 1 0.52596848 0.15682700 0.67586571 1\n C C6 1 0.25352036 0.18088423 0.81972727 1\n C C7 1 0.76247579 0.66274458 0.83810529 1\n C C8 1 0.16765946 0.68727453 -0.01507232 1\n C C9 1 0.40795275 0.23762516 0.42510527 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48296000\n_cell_length_b 3.78660000\n_cell_length_c 7.55147000\n_cell_angle_alpha 97.88911000\n_cell_angle_beta 70.96715000\n_cell_angle_gamma 89.80418000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.39408233\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11710970 0.40057910 0.73737751 1\n C C1 1 0.02267442 0.28193143 0.33271452 1\n C C2 1 0.78521310 0.91460181 0.06708505 1\n C C3 1 0.39153510 0.82195346 -0.03990665 1\n C C4 1 0.53856232 0.55031385 0.81523357 1\n C C5 1 0.64511108 0.25286178 0.20812651 1\n C C6 1 0.00948089 0.69697306 0.34478126 1\n C C7 1 0.26330465 1.12827716 0.59288668 1\n C C8 1 0.63274387 0.66785998 0.21986203 1\n C C9 1 0.86986127 1.03540977 0.48573803 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51624000\n_cell_length_b 3.31788000\n_cell_length_c 3.51839000\n_cell_angle_alpha 90.00472000\n_cell_angle_beta 59.98156000\n_cell_angle_gamma 90.00116000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54127999\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47164829 0.64838127 -0.04356851 1\n C C1 1 0.70368616 0.81460923 0.49253702 1\n C C2 1 0.00859639 0.14824924 0.49235534 1\n C C3 1 0.00823113 0.48035727 0.18842288 1\n C C4 1 0.47224567 0.98039254 0.26038924 1\n C C5 1 0.77639056 0.31460064 -0.04342577 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42404000\n_cell_length_b 4.21004000\n_cell_length_c 5.87383000\n_cell_angle_alpha 45.64502000\n_cell_angle_beta 89.68597000\n_cell_angle_gamma 89.79827000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.86080758\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86426980 0.10548408 0.10592185 1\n C C1 1 0.36505960 0.69744105 0.01608089 1\n C C2 1 0.86523497 0.51227731 1.04605243 1\n C C3 1 0.36556694 1.10468664 0.95516507 1\n C C4 1 0.36506082 0.51165070 0.60804055 1\n C C5 1 0.86532767 0.69899152 0.45342941 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45196000\n_cell_length_b 6.07985000\n_cell_length_c 4.02984000\n_cell_angle_alpha 48.24287000\n_cell_angle_beta 89.94721000\n_cell_angle_gamma 78.35384000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.15272109\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05533904 0.88641196 0.62925589 1\n C C1 1 0.63784558 0.72187533 0.29892760 1\n C C2 1 0.89418196 0.20604944 0.43636382 1\n C C3 1 0.58535906 0.82771513 0.49924100 1\n C C4 1 0.16709782 0.66407400 0.16866566 1\n C C5 1 0.32523984 0.34471344 0.35989074 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47984000\n_cell_length_b 4.83300000\n_cell_length_c 4.88965000\n_cell_angle_alpha 135.42871000\n_cell_angle_beta 120.36792000\n_cell_angle_gamma 75.23784000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.94336591\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05361132 0.25706714 -0.02873086 1\n C C1 1 0.36905297 0.74275849 1.02844504 1\n C C2 1 0.09485532 0.34529178 0.55526386 1\n C C3 1 0.34521710 0.10038114 0.68381687 1\n C C4 1 1.06976630 0.70288765 0.21054129 1\n C C5 1 0.38523389 0.18850919 0.26752860 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46559000\n_cell_length_b 3.21641000\n_cell_length_c 7.57548000\n_cell_angle_alpha 106.02211000\n_cell_angle_beta 90.02929000\n_cell_angle_gamma 112.48874000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.96947651\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86468751 0.09554370 0.30984796 1\n C C1 1 0.50319581 0.37358477 0.31280267 1\n C C2 1 0.29037248 0.94980887 0.57785773 1\n C C3 1 0.74065005 -0.14987453 0.46952849 1\n C C4 1 0.62415211 0.61799554 0.15209366 1\n C C5 1 0.39684026 1.16540606 0.76166379 1\n C C6 1 0.07278155 0.51642599 0.04364846 1\n C C7 1 0.95812114 0.28791559 0.86092844 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42666000\n_cell_length_b 4.22879000\n_cell_length_c 5.86973000\n_cell_angle_alpha 133.91902000\n_cell_angle_beta 90.01131000\n_cell_angle_gamma 89.97573000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.38795105\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78013065 1.06954506 0.39198576 1\n C C1 1 0.28047580 0.93665060 0.82555446 1\n C C2 1 0.78038956 0.35825641 0.33146960 1\n C C3 1 0.28032338 0.64815459 0.47636301 1\n C C4 1 0.78051598 0.07015987 0.98232333 1\n C C5 1 0.28020533 0.93664227 0.41573763 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.71939000\n_cell_length_b 4.46142000\n_cell_length_c 4.80085000\n_cell_angle_alpha 73.67404000\n_cell_angle_beta 70.17430000\n_cell_angle_gamma 77.62277000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.29291286\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09570408 0.22902870 0.63015832 1\n C C1 1 0.82554154 0.72811611 0.74297985 1\n C C2 1 0.46100630 0.54633273 0.29070941 1\n C C3 1 0.75153801 0.08157664 0.67297649 1\n C C4 1 0.50763528 0.19201796 -0.04466376 1\n C C5 1 1.02713640 0.58038942 0.47719803 1\n C C6 1 0.08587869 0.22360146 0.97070755 1\n C C7 1 0.73148228 0.04751889 0.17751278 1\n C C8 1 0.47092068 0.55277183 0.94974716 1\n C C9 1 0.80532155 0.69346235 0.24790511 1\n C C10 1 0.04925498 0.58354971 -0.03452820 1\n C C11 1 0.52986821 0.19437898 0.44348988 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53133000\n_cell_length_b 4.50506000\n_cell_length_c 7.20346000\n_cell_angle_alpha 61.47536000\n_cell_angle_beta 90.55205000\n_cell_angle_gamma 89.95146000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.17038650\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76400652 0.35067094 0.47023512 1\n C C1 1 0.75206031 0.08160975 0.84970934 1\n C C2 1 0.25789833 0.19175965 0.12150409 1\n C C3 1 0.25987148 0.69735196 0.14023731 1\n C C4 1 0.75576125 0.71511309 0.64838018 1\n C C5 1 0.75560205 0.39775333 0.64628544 1\n C C6 1 0.76259183 0.03024056 0.25963079 1\n C C7 1 0.75247945 0.71846752 0.85670292 1\n C C8 1 0.25504818 1.05087240 -0.02368407 1\n C C9 1 0.25556865 0.55696974 -0.00526161 1\n C C10 1 0.76307625 0.03331077 0.46797659 1\n C C11 1 0.76400231 0.66673510 0.26653310 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48784000\n_cell_length_b 4.30499000\n_cell_length_c 4.30442000\n_cell_angle_alpha 80.42395000\n_cell_angle_beta 73.19931000\n_cell_angle_gamma 89.97332000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.46274206\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51283475 0.46225429 0.80345787 1\n C C1 1 0.57459983 0.14949616 0.67873604 1\n C C2 1 0.32492824 0.39954952 0.17870414 1\n C C3 1 0.01297334 0.96224570 0.80346332 1\n C C4 1 0.76332208 0.21229680 0.30353767 1\n C C5 1 0.07448342 0.64952212 0.67859960 1\n C C6 1 0.26294944 0.71231312 0.30337957 1\n C C7 1 0.82464198 0.89956270 0.17862441 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45745000\n_cell_length_b 3.66632000\n_cell_length_c 6.87203000\n_cell_angle_alpha 82.40578000\n_cell_angle_beta 110.87549000\n_cell_angle_gamma 70.29580000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.17550334\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94906068 0.02223207 0.71182010 1\n C C1 1 0.26192693 0.83022604 0.42827869 1\n C C2 1 0.28783558 -0.17634563 0.94838969 1\n C C3 1 0.27526018 0.52565765 0.29017817 1\n C C4 1 0.23841150 0.26808363 0.62483863 1\n C C5 1 0.94308896 0.72382553 0.05380126 1\n C C6 1 -0.01533147 0.27942184 0.37675204 1\n C C7 1 0.96374373 0.71715457 0.57376672 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44967000\n_cell_length_b 3.95620000\n_cell_length_c 4.55085000\n_cell_angle_alpha 86.67433000\n_cell_angle_beta 105.59377000\n_cell_angle_gamma 90.01653000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.40373338\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89710822 0.20955788 0.26908839 1\n C C1 1 0.83056969 -0.08389005 0.13747500 1\n C C2 1 0.30129997 0.72923525 0.07953112 1\n C C3 1 0.14654317 0.59298740 0.77158057 1\n C C4 1 0.42694662 0.39471546 0.32746652 1\n C C5 1 0.58009763 0.52719638 0.63686160 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.97124000\n_cell_length_b 5.75280000\n_cell_length_c 4.28543000\n_cell_angle_alpha 67.17397000\n_cell_angle_beta 67.31333000\n_cell_angle_gamma 54.48269000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.75050803\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95717530 0.08126258 0.84510642 1\n C C1 1 0.80247449 0.91277020 0.17177193 1\n C C2 1 0.45561429 0.23961576 0.56302897 1\n C C3 1 0.11096378 0.35687489 0.34440579 1\n C C4 1 0.43555892 0.61968143 0.78189328 1\n C C5 1 0.69638132 0.36104331 0.62315884 1\n C C6 1 0.32941067 0.06793632 0.23348409 1\n C C7 1 0.17471026 0.89947450 0.56024404 1\n C C8 1 0.67638289 0.74100721 0.84237547 1\n C C9 1 0.02120062 0.62369687 0.06090119 1\n C C10 1 0.82351986 0.92137999 0.50018424 1\n C C11 1 0.30851608 1.05928944 0.90504844 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47495000\n_cell_length_b 4.56731000\n_cell_length_c 8.65563000\n_cell_angle_alpha 76.00847000\n_cell_angle_beta 72.71372000\n_cell_angle_gamma 77.91937000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 89.64799096\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53100764 0.60076298 0.83526257 1\n C C1 1 0.30823132 0.93807330 0.87404249 1\n C C2 1 -0.06159531 1.03069637 0.20733109 1\n C C3 1 0.87253541 0.34914291 0.09710079 1\n C C4 1 0.98593843 0.44418747 0.33102241 1\n C C5 1 0.85447364 0.09435421 0.37798396 1\n C C6 1 0.48435503 0.35399951 0.99143954 1\n C C7 1 0.35482890 0.18491190 0.71790377 1\n C C8 1 -0.03344489 0.18957557 0.61220772 1\n C C9 1 0.53909942 0.88099419 0.15404634 1\n C C10 1 0.25664421 0.99302173 0.48464243 1\n C C11 1 0.58368185 0.54553414 0.22452544 1\n C C12 1 0.67846753 0.00660003 0.96711577 1\n C C13 1 0.90117106 0.50769894 0.50181633 1\n C C14 1 0.30033671 0.65748267 0.55499367 1\n C C15 1 0.16129425 0.53189289 0.74217538 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.15469000\n_cell_length_b 4.14820000\n_cell_length_c 4.66266000\n_cell_angle_alpha 103.28014000\n_cell_angle_beta 87.06481000\n_cell_angle_gamma 78.36785000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.86039994\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71961870 0.41840174 0.61227205 1\n C C1 1 0.01179385 0.12875138 0.45144398 1\n C C2 1 0.24552656 0.88856922 0.89702462 1\n C C3 1 0.53595322 0.60779083 0.42543394 1\n C C4 1 0.56151093 0.57741193 -0.09834832 1\n C C5 1 1.00816012 0.13273859 0.14128821 1\n C C6 1 0.24139983 0.89485133 0.58704343 1\n C C7 1 0.69538209 0.44559400 0.13628799 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.21694000\n_cell_length_b 4.17813000\n_cell_length_c 3.33538000\n_cell_angle_alpha 95.72967000\n_cell_angle_beta 80.52489000\n_cell_angle_gamma 57.27185000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22254430\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09192226 0.37261064 0.49308896 1\n C C1 1 0.84243542 -0.00595998 -0.09130025 1\n C C2 1 0.65229045 0.75257802 0.75816610 1\n C C3 1 0.20834736 -0.01115041 0.54652712 1\n C C4 1 0.40369299 0.37385524 0.17351398 1\n C C5 1 0.28777572 0.75739269 1.11999399 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46917000\n_cell_length_b 5.44368000\n_cell_length_c 7.24584000\n_cell_angle_alpha 129.75825000\n_cell_angle_beta 101.64414000\n_cell_angle_gamma 97.49549000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.83671004\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12764731 -0.02173410 0.39373882 1\n C C1 1 0.15062979 0.63556019 0.30878578 1\n C C2 1 0.87221194 0.30876916 0.79340761 1\n C C3 1 0.34861827 0.61751322 0.51745179 1\n C C4 1 0.86647935 0.88366576 0.13641859 1\n C C5 1 0.31623360 1.08801482 0.95472541 1\n C C6 1 -0.47074676 0.50422028 -0.04968565 1\n C C7 1 0.69278253 -0.01075875 0.78935535 1\n C C8 1 0.43168038 1.05174176 0.14821234 1\n C C9 1 0.74756461 0.40635524 0.45722015 1\n C C10 1 0.74625455 0.19490753 0.53508021 1\n C C11 1 0.52785583 0.46623449 0.13893919 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41404000\n_cell_length_b 5.52424000\n_cell_length_c 8.22572000\n_cell_angle_alpha 75.77459000\n_cell_angle_beta 98.39476000\n_cell_angle_gamma 90.01107000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 105.12023693\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54591677 0.30587397 0.35513811 1\n C C1 1 0.84357094 0.65897882 -0.04755322 1\n C C2 1 0.12535008 0.93791710 0.51198888 1\n C C3 1 0.38881883 0.53078522 0.04667100 1\n C C4 1 0.53267895 0.72656438 0.32351550 1\n C C5 1 1.22726957 0.29453589 0.72292901 1\n C C6 1 0.27050730 1.01890054 0.80259141 1\n C C7 1 0.82710824 0.95062774 0.91855486 1\n C C8 1 0.21493680 0.82892860 0.69462130 1\n C C9 1 0.38746317 0.25115396 1.04782552 1\n C C10 1 1.07863778 0.19705814 0.42020314 1\n C C11 1 0.48016608 0.53970167 0.22723092 1\n C C12 1 0.06332837 0.79057997 0.38779631 1\n C C13 1 0.88057539 0.13204869 1.03176230 1\n C C14 1 0.74578899 0.66762556 0.75702797 1\n C C15 1 0.72433624 0.42178474 0.71861679 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48448000\n_cell_length_b 4.08621000\n_cell_length_c 4.67846000\n_cell_angle_alpha 96.65265000\n_cell_angle_beta 105.35189000\n_cell_angle_gamma 90.00448000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.46962604\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98847444 0.06584558 0.59140375 1\n C C1 1 0.14438611 0.24525096 0.90481493 1\n C C2 1 -0.23590485 0.77748936 0.13572566 1\n C C3 1 0.26275677 1.00382699 0.13320216 1\n C C4 1 0.64339019 0.47168917 0.90265703 1\n C C5 1 0.93299284 0.71026380 0.47671740 1\n C C6 1 0.47447688 0.53934272 0.56191859 1\n C C7 1 0.41701201 0.18376252 0.44645409 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48150000\n_cell_length_b 3.68847000\n_cell_length_c 4.22045000\n_cell_angle_alpha 75.08485000\n_cell_angle_beta 89.98876000\n_cell_angle_gamma 109.65413000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99313515\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00871095 0.39064991 0.51711991 1\n C C1 1 0.53749679 0.47849587 0.01311721 1\n C C2 1 0.31293928 1.03263718 0.21973131 1\n C C3 1 0.79272497 -0.00705822 0.44143106 1\n C C4 1 0.11634142 0.63590278 0.14346069 1\n C C5 1 0.56930719 0.54687327 0.64803893 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27290000\n_cell_length_b 3.27205000\n_cell_length_c 5.45772000\n_cell_angle_alpha 74.84630000\n_cell_angle_beta 40.07591000\n_cell_angle_gamma 80.85903000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.24025045\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77241590 0.87772169 0.13849678 1\n C C1 1 0.42240589 0.82431992 0.75688400 1\n C C2 1 0.73854988 0.50672660 0.75673219 1\n C C3 1 0.41165333 0.23784671 1.13836685 1\n C C4 1 0.38778047 0.45221898 0.37502444 1\n C C5 1 0.74843383 0.09098699 0.37533404 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47571000\n_cell_length_b 5.92004000\n_cell_length_c 9.22725000\n_cell_angle_alpha 85.11413000\n_cell_angle_beta 82.33449000\n_cell_angle_gamma 65.22143000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 121.62500082\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.28788352 0.74300382 0.74990199 1\n C C1 1 1.03995566 0.14271512 0.44815372 1\n C C2 1 0.69852728 0.98564223 0.44580736 1\n C C3 1 0.17244307 0.52190322 0.42125614 1\n C C4 1 0.60772457 0.76069093 0.07245108 1\n C C5 1 0.03864081 0.78141310 0.16959531 1\n C C6 1 0.45146100 0.65408757 0.60105353 1\n C C7 1 0.77628017 0.99659669 0.26871326 1\n C C8 1 -0.10493860 0.40426256 0.20553859 1\n C C9 1 0.23872903 0.53407300 0.25870477 1\n C C10 1 -0.09020689 0.47260568 0.03986280 1\n C C11 1 0.55294381 0.35653585 0.98493256 1\n C C12 1 1.11921147 0.15176487 0.27104627 1\n C C13 1 0.81089797 0.11672506 -0.05140067 1\n C C14 1 -0.09609627 0.74134389 0.52050645 1\n C C15 1 0.75421012 0.40667268 0.49026475 1\n C C16 1 0.68921242 0.81238765 0.80855695 1\n C C17 1 0.46906064 0.96205786 -0.05708606 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.92050000\n_cell_length_b 3.63906000\n_cell_length_c 4.81956000\n_cell_angle_alpha 112.25901000\n_cell_angle_beta 106.81633000\n_cell_angle_gamma 69.83758000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.75054545\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06890759 0.14619834 0.72579810 1\n C C1 1 0.07016244 0.36024688 0.53342424 1\n C C2 1 1.06356160 0.08890765 0.22605582 1\n C C3 1 0.06486019 0.30299411 0.03372065 1\n C C4 1 1.07215003 0.74091386 0.53424888 1\n C C5 1 1.06126065 0.70836145 0.22520971 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46421000\n_cell_length_b 4.25806000\n_cell_length_c 6.36922000\n_cell_angle_alpha 89.99954000\n_cell_angle_beta 78.96849000\n_cell_angle_gamma 89.99797000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.59576850\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.15820422 0.09966002 0.81382663 1\n C C1 1 0.20142511 0.67037910 0.15679178 1\n C C2 1 0.99946683 0.68138172 0.56981528 1\n C C3 1 0.41232639 0.17053777 0.57478187 1\n C C4 1 0.60754101 0.23595522 -0.07794901 1\n C C5 1 0.61592726 0.18133333 0.16221985 1\n C C6 1 0.65017106 0.84445401 0.23362445 1\n C C7 1 -0.03724508 0.34465145 0.49796453 1\n C C8 1 0.08344054 0.34443008 0.25095761 1\n C C9 1 0.00905433 0.73608203 0.80899768 1\n C C10 1 0.45685330 0.59980089 0.91770384 1\n C C11 1 0.53182661 0.84464370 0.48080159 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48105000\n_cell_length_b 3.68918000\n_cell_length_c 4.21726000\n_cell_angle_alpha 75.28868000\n_cell_angle_beta 89.95569000\n_cell_angle_gamma 70.37399000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01465429\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41264119 0.51448879 0.56885377 1\n C C1 1 0.83461552 0.67095329 0.70010073 1\n C C2 1 -0.38723200 1.11592819 0.49403014 1\n C C3 1 0.87147696 0.59852625 0.06557085 1\n C C4 1 0.29271698 0.75565049 0.19653594 1\n C C5 1 1.09407565 0.15334629 0.27201768 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25850000\n_cell_length_b 3.39793000\n_cell_length_c 4.66633000\n_cell_angle_alpha 89.99420000\n_cell_angle_beta 110.11500000\n_cell_angle_gamma 90.03538000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.51489255\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65904761 0.90906674 0.28068491 1\n C C1 1 0.65903521 0.86586842 0.78061592 1\n C C2 1 0.29809217 0.57922432 0.61278551 1\n C C3 1 0.94538445 0.86612995 0.10204187 1\n C C4 1 0.30528062 0.19559425 0.76932353 1\n C C5 1 0.29825613 0.19567306 0.11283502 1\n C C6 1 0.94552510 0.90872541 0.60210048 1\n C C7 1 0.30498401 0.57938924 0.26925766 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47708000\n_cell_length_b 4.14298000\n_cell_length_c 6.07877000\n_cell_angle_alpha 85.40502000\n_cell_angle_beta 78.21196000\n_cell_angle_gamma 90.00432000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.86275340\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22197757 0.60963445 0.48468537 1\n C C1 1 0.88477501 0.35179481 0.16555683 1\n C C2 1 0.35293947 0.52177163 0.23025563 1\n C C3 1 0.51586044 1.05329294 0.90877797 1\n C C4 1 0.14006704 0.31011024 0.64536153 1\n C C5 1 0.72074917 0.82809631 0.48714863 1\n C C6 1 0.63953004 0.08948119 0.64660995 1\n C C7 1 1.01160378 0.26462562 0.91702233 1\n C C8 1 1.39855900 0.86369672 0.13581792 1\n C C9 1 -0.15583562 -0.00614773 0.24630243 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48366000\n_cell_length_b 6.28509000\n_cell_length_c 5.12443000\n_cell_angle_alpha 76.00079000\n_cell_angle_beta 61.01513000\n_cell_angle_gamma 78.59892000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.58928216\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18812535 0.30663641 0.36605514 1\n C C1 1 0.52757052 0.66335202 0.34684372 1\n C C2 1 -0.36802268 0.54100171 0.80226218 1\n C C3 1 0.59335538 0.19138451 0.51854698 1\n C C4 1 0.99560229 0.53319942 0.44384475 1\n C C5 1 0.25199005 0.83472677 0.53717619 1\n C C6 1 0.73619083 0.81649500 0.05984677 1\n C C7 1 1.14270598 0.95751751 0.08244834 1\n C C8 1 0.21713148 0.18920692 0.89305786 1\n C C9 1 0.03984233 0.68192776 0.82437215 1\n C C10 1 0.55863835 0.30916964 0.99154213 1\n C C11 1 0.78305372 0.96488263 0.44118497 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48796000\n_cell_length_b 3.51689000\n_cell_length_c 5.55959000\n_cell_angle_alpha 89.99986000\n_cell_angle_beta 116.55936000\n_cell_angle_gamma 89.99457000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.51224600\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12041615 0.21063088 1.07508081 1\n C C1 1 0.62045386 0.46112341 0.07511855 1\n C C2 1 0.87078959 0.96118370 0.82539953 1\n C C3 1 -0.13054759 0.71055750 0.32473769 1\n C C4 1 0.37079994 0.71047532 0.82539196 1\n C C5 1 0.36939325 0.96123695 0.32472806 1\n C C6 1 0.61997736 0.21040128 0.57503460 1\n C C7 1 1.11998054 0.46130706 0.57506240 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47318000\n_cell_length_b 4.23401000\n_cell_length_c 5.45984000\n_cell_angle_alpha 90.04177000\n_cell_angle_beta 89.93312000\n_cell_angle_gamma 89.96869000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.17248179\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83618215 0.16146509 0.96396865 1\n C C1 1 -0.16304077 0.83038663 0.06992359 1\n C C2 1 0.83844090 0.83040150 0.58987369 1\n C C3 1 0.83739617 0.16188320 0.69629607 1\n C C4 1 0.33698498 0.65863800 0.98362128 1\n C C5 1 0.33581324 0.31907469 1.06822003 1\n C C6 1 0.33637310 0.18312756 0.33015139 1\n C C7 1 0.83697543 0.96210391 0.32990106 1\n C C8 1 0.33827993 0.65891660 0.67733280 1\n C C9 1 0.33743937 0.31935793 0.59226364 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48965000\n_cell_length_b 3.57933000\n_cell_length_c 4.36569000\n_cell_angle_alpha 84.32176000\n_cell_angle_beta 73.44507000\n_cell_angle_gamma 69.66527000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96715414\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86594296 0.15466800 0.44854096 1\n C C1 1 -0.02989501 0.52557467 0.86684744 1\n C C2 1 0.78285868 0.52525021 0.24188095 1\n C C3 1 0.26010449 0.15467511 0.66017867 1\n C C4 1 0.15230913 0.78539035 0.24199085 1\n C C5 1 0.34082146 0.78544466 0.86689252 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46136000\n_cell_length_b 3.39154000\n_cell_length_c 6.07310000\n_cell_angle_alpha 119.43399000\n_cell_angle_beta 78.31347000\n_cell_angle_gamma 111.22091000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.14020891\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93030350 0.32318790 0.08815571 1\n C C1 1 0.51235867 0.80868146 0.41078407 1\n C C2 1 -0.04043071 1.11281851 0.81286029 1\n C C3 1 0.10824959 0.87342504 0.28436988 1\n C C4 1 0.47400123 0.01561550 0.68612689 1\n C C5 1 0.33516632 0.25903189 0.21465956 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.38682000\n_cell_length_b 5.50384000\n_cell_length_c 5.81545000\n_cell_angle_alpha 94.34156000\n_cell_angle_beta 110.68745000\n_cell_angle_gamma 122.79928000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 103.85234421\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64264049 0.48297165 0.94153422 1\n C C1 1 0.13449318 -0.00770271 0.95907460 1\n C C2 1 0.00811583 0.41302327 0.50410213 1\n C C3 1 0.81697333 0.94696483 0.23258866 1\n C C4 1 0.40479939 0.16077665 0.85736122 1\n C C5 1 0.49462915 0.90107629 0.50691158 1\n C C6 1 1.08687703 0.12662492 0.13807605 1\n C C7 1 0.76915242 0.09062558 0.41939079 1\n C C8 1 0.27651471 0.58109661 0.40127615 1\n C C9 1 0.32257211 0.44654365 0.22157065 1\n C C10 1 0.91799624 0.67273883 0.85454301 1\n C C11 1 0.05789563 0.63611509 0.68076329 1\n C C12 1 0.35702945 0.93785135 0.68200968 1\n C C13 1 0.59280706 0.62596449 0.12719787 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48191000\n_cell_length_b 4.74737000\n_cell_length_c 11.22024000\n_cell_angle_alpha 91.01052000\n_cell_angle_beta 70.59087000\n_cell_angle_gamma 58.46329000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 103.21586709\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02084899 0.23520322 0.57164596 1\n C C1 1 0.01362454 0.81323411 0.18974808 1\n C C2 1 0.09005633 0.92708470 0.06328522 1\n C C3 1 1.19200040 -0.16073453 0.38827908 1\n C C4 1 0.47550225 0.17157637 0.64399764 1\n C C5 1 0.62353169 0.63553989 0.57010600 1\n C C6 1 0.38550822 0.83258948 0.26223112 1\n C C7 1 0.54833422 0.86938258 0.46400589 1\n C C8 1 0.53299053 0.88855436 0.79423538 1\n C C9 1 1.01987335 0.80245715 0.86018125 1\n C C10 1 0.39207201 0.43148193 0.85919589 1\n C C11 1 0.15913756 0.26296284 0.79358703 1\n C C12 1 0.58580896 0.02164144 1.00311158 1\n C C13 1 0.46122498 0.56037273 0.05972940 1\n C C14 1 0.21884934 0.39086517 0.00100744 1\n C C15 1 -0.14103688 0.79020826 0.64343093 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44170000\n_cell_length_b 4.53603000\n_cell_length_c 5.41632000\n_cell_angle_alpha 76.94697000\n_cell_angle_beta 89.99036000\n_cell_angle_gamma 89.98966000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.43909240\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.15285072 0.22241014 0.68622891 1\n C C1 1 0.65251446 0.75862805 0.29711083 1\n C C2 1 0.65231780 0.24933352 0.27035291 1\n C C3 1 0.65276406 0.55307693 0.13228322 1\n C C4 1 0.65317263 0.75525710 0.56513886 1\n C C5 1 0.15297482 0.65724716 0.96006857 1\n C C6 1 0.15231221 1.01467724 0.94767401 1\n C C7 1 0.65197054 0.03896509 0.11220747 1\n C C8 1 0.65302500 1.12763120 0.54980673 1\n C C9 1 0.15314396 0.58691089 0.69961619 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48716000\n_cell_length_b 4.30634000\n_cell_length_c 4.30597000\n_cell_angle_alpha 99.60669000\n_cell_angle_beta 106.76840000\n_cell_angle_gamma 125.26902000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60818130\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54672285 0.36369575 0.28257767 1\n C C1 1 -0.37000004 0.28042914 0.61583275 1\n C C2 1 0.96344996 -0.05291639 -0.05085766 1\n C C3 1 0.29672094 0.61376361 0.28248066 1\n C C4 1 0.87999383 0.03037574 0.61591599 1\n C C5 1 0.21344383 0.69703022 0.94922558 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30821000\n_cell_length_b 4.48913000\n_cell_length_c 4.81894000\n_cell_angle_alpha 60.00727000\n_cell_angle_beta 91.35701000\n_cell_angle_gamma 108.14671000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.13703307\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22938676 0.63415460 0.13047281 1\n C C1 1 0.07543569 0.76471946 0.83677452 1\n C C2 1 0.10170878 0.26889681 0.35909081 1\n C C3 1 0.53954809 -0.04826237 0.12547278 1\n C C4 1 0.79089998 0.95070495 0.36466499 1\n C C5 1 0.78454915 0.63597403 0.67705035 1\n C C6 1 0.54800915 0.26722711 0.81315696 1\n C C7 1 0.26339230 0.13940541 0.65000729 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43881000\n_cell_length_b 5.50842000\n_cell_length_c 8.40935000\n_cell_angle_alpha 89.95734000\n_cell_angle_beta 106.87237000\n_cell_angle_gamma 90.00195000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 108.10809664\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46772774 0.21429136 0.95867160 1\n C C1 1 0.18460160 -0.07363559 0.67400866 1\n C C2 1 0.90714053 0.72216425 -0.10175349 1\n C C3 1 -0.24512977 0.04821928 0.24124287 1\n C C4 1 0.48038803 0.19551628 0.47277607 1\n C C5 1 0.90631678 0.13205214 0.89752795 1\n C C6 1 0.75486282 0.80403827 0.24135000 1\n C C7 1 0.05478381 0.72450196 0.54757938 1\n C C8 1 0.46866503 0.64020194 0.95958575 1\n C C9 1 0.79017522 0.92681695 0.77965770 1\n C C10 1 0.19467967 0.42627796 0.18127608 1\n C C11 1 0.05469404 0.12778834 0.54715662 1\n C C12 1 0.29193826 0.18997789 0.27886040 1\n C C13 1 0.58353577 0.42663384 1.07151474 1\n C C14 1 0.48050241 0.65677951 0.47319768 1\n C C15 1 0.29208365 0.66224543 0.27917979 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.82455000\n_cell_length_b 4.24686000\n_cell_length_c 3.67760000\n_cell_angle_alpha 85.66176000\n_cell_angle_beta 68.25384000\n_cell_angle_gamma 86.51320000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.74435158\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.22914255 0.72028172 1.10132345 1\n C C1 1 0.72237097 0.72477955 0.57727923 1\n C C2 1 0.69968151 0.07591568 0.50524999 1\n C C3 1 0.47777217 0.56636548 0.85227648 1\n C C4 1 0.50099985 0.21602150 0.88696034 1\n C C5 1 0.20482402 1.07057492 0.06879812 1\n C C6 1 0.00610599 0.21040597 0.45058187 1\n C C7 1 0.70982637 0.14546056 0.10062826 1\n C C8 1 0.98436054 0.56183533 0.37584467 1\n C C9 1 -0.00404458 0.14172319 0.85492809 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47386000\n_cell_length_b 4.80332000\n_cell_length_c 4.28103000\n_cell_angle_alpha 116.47582000\n_cell_angle_beta 89.99614000\n_cell_angle_gamma 104.93613000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60718277\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13292366 0.99253061 0.81781626 1\n C C1 1 0.56979569 -0.13339567 0.58834875 1\n C C2 1 0.81987738 0.36661311 0.50496792 1\n C C3 1 1.06986293 0.86661427 0.08833481 1\n C C4 1 0.88294492 0.49253776 0.90118699 1\n C C5 1 0.63299090 -0.00745945 0.31780232 1\n C C6 1 0.31984167 0.36660712 1.00496408 1\n C C7 1 0.38290921 0.49253177 0.40118315 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45992000\n_cell_length_b 4.15773000\n_cell_length_c 6.43800000\n_cell_angle_alpha 58.86129000\n_cell_angle_beta 89.02965000\n_cell_angle_gamma 87.70754000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.31297350\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33946169 0.29749369 0.65057932 1\n C C1 1 0.40683613 0.58693223 0.71761455 1\n C C2 1 0.70022014 0.71705554 0.23195993 1\n C C3 1 0.85018134 0.71550502 0.99298976 1\n C C4 1 0.20803732 0.47975222 0.36924497 1\n C C5 1 0.40611759 0.49213223 0.98396606 1\n C C6 1 0.91991566 0.83343196 0.61540512 1\n C C7 1 0.55257711 0.10192055 0.21925866 1\n C C8 1 -0.14251623 1.05510112 0.73992909 1\n C C9 1 0.05106785 0.11724623 0.35449946 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46183000\n_cell_length_b 4.92128000\n_cell_length_c 6.93154000\n_cell_angle_alpha 95.30316000\n_cell_angle_beta 79.73054000\n_cell_angle_gamma 90.03205000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.26819371\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46613486 -0.06325708 0.26639930 1\n C C1 1 1.03308396 0.51974795 0.13414981 1\n C C2 1 0.77883309 0.51563749 0.64473992 1\n C C3 1 0.12143960 0.00915586 0.95733350 1\n C C4 1 0.68981098 0.35481167 0.82430466 1\n C C5 1 0.23060016 0.94400591 0.73587523 1\n C C6 1 0.12660229 0.33097689 0.94903964 1\n C C7 1 0.41370286 0.22214911 0.37300570 1\n C C8 1 0.29319205 0.68001296 0.61455977 1\n C C9 1 0.03398900 0.85777506 0.13315140 1\n C C10 1 0.46925835 0.47401729 0.25891090 1\n C C11 1 0.39656181 0.72055990 0.40183289 1\n C C12 1 0.85009333 0.25237466 0.50201926 1\n C C13 1 0.75849875 1.09682233 0.68336962 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23276000\n_cell_length_b 4.83755000\n_cell_length_c 5.23304000\n_cell_angle_alpha 72.52338000\n_cell_angle_beta 92.32594000\n_cell_angle_gamma 62.76450000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.85050868\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46124051 0.97452055 0.77073327 1\n C C1 1 0.86329453 0.36547179 0.56540278 1\n C C2 1 0.55966823 0.21385569 0.10609362 1\n C C3 1 0.91363215 -0.04880938 0.19912974 1\n C C4 1 0.20342309 0.86576470 0.40559289 1\n C C5 1 0.38807895 0.47545756 0.19887551 1\n C C6 1 0.34658454 0.21280663 0.89455252 1\n C C7 1 0.17156290 0.05728856 0.56567344 1\n C C8 1 0.81513671 0.71270858 0.86291109 1\n C C9 1 0.98481040 0.45036350 0.77057720 1\n C C10 1 0.51161705 0.55794397 0.40502659 1\n C C11 1 0.02669164 0.71329957 0.07534705 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.48860000\n_cell_length_b 4.34530000\n_cell_length_c 4.67567000\n_cell_angle_alpha 76.58193000\n_cell_angle_beta 87.63851000\n_cell_angle_gamma 78.59787000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.95457285\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40492846 0.57380190 0.62769953 1\n C C1 1 0.73332047 -0.07212230 0.97643368 1\n C C2 1 0.19783109 0.45128359 0.50423651 1\n C C3 1 0.40541475 0.93227930 0.97789797 1\n C C4 1 0.68073543 0.46938691 0.51817143 1\n C C5 1 0.26805015 0.76608487 0.81500687 1\n C C6 1 0.92189142 0.56013424 0.60938775 1\n C C7 1 0.86577822 0.10384603 0.14957527 1\n C C8 1 0.65115674 0.26942258 0.31649839 1\n C C9 1 0.19339298 0.09999221 0.14841012 1\n C C10 1 0.94885511 0.76171229 0.81004527 1\n C C11 1 0.33270408 0.26387828 0.31250432 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46105000\n_cell_length_b 5.44209000\n_cell_length_c 8.24413000\n_cell_angle_alpha 89.72149000\n_cell_angle_beta 98.61931000\n_cell_angle_gamma 89.98480000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 109.16735204\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69430775 0.03101368 0.26388216 1\n C C1 1 0.83523985 0.64360411 0.55162161 1\n C C2 1 0.29952107 0.58783696 0.47922701 1\n C C3 1 0.32600327 1.08102931 0.53238303 1\n C C4 1 0.59253323 0.45805096 0.06301817 1\n C C5 1 0.05279344 0.78880764 0.98460052 1\n C C6 1 0.41052483 0.96451668 0.70595664 1\n C C7 1 0.78505857 1.08856934 0.44733316 1\n C C8 1 0.21136146 0.60346837 0.29792957 1\n C C9 1 -0.02184492 0.59920740 0.84083425 1\n C C10 1 0.14660964 0.12478484 0.17218127 1\n C C11 1 0.68767430 0.75247060 0.24828753 1\n C C12 1 0.59817971 0.72024856 0.07218624 1\n C C13 1 0.14019977 0.39270921 0.15900024 1\n C C14 1 1.04266438 0.05827008 0.96738689 1\n C C15 1 0.90906411 0.78835261 0.70308771 1\n C C16 1 0.49590987 0.43410284 0.87538207 1\n C C17 1 0.49233077 0.14112802 0.86840673 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51129000\n_cell_length_b 4.11317000\n_cell_length_c 4.19078000\n_cell_angle_alpha 119.38161000\n_cell_angle_beta 107.59565000\n_cell_angle_gamma 90.07125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.36755313\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32878707 0.19071631 0.56933861 1\n C C1 1 0.94342318 0.80310723 0.79344923 1\n C C2 1 0.13658429 0.51633228 1.18149733 1\n C C3 1 0.32926699 0.56017104 0.56966656 1\n C C4 1 0.94304179 0.17194035 0.79334296 1\n C C5 1 0.13560948 0.84647539 0.18123821 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46709000\n_cell_length_b 7.92978000\n_cell_length_c 7.77035000\n_cell_angle_alpha 125.60182000\n_cell_angle_beta 99.34528000\n_cell_angle_gamma 109.29140000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.45148784\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91838518 0.68649686 -0.04769028 1\n C C1 1 -0.05491117 0.20232637 0.03156142 1\n C C2 1 0.89942872 0.30741540 0.75907848 1\n C C3 1 0.00776317 0.58899166 0.28271876 1\n C C4 1 0.38296458 0.77638331 0.55669401 1\n C C5 1 0.69241204 0.96096900 0.96522220 1\n C C6 1 0.54745482 0.66468326 0.22044879 1\n C C7 1 0.69881054 0.59335226 0.69345926 1\n C C8 1 0.29096798 0.31585263 0.47532400 1\n C C9 1 0.22662006 0.20818643 0.58299682 1\n C C10 1 0.65933116 0.33101803 0.18573810 1\n C C11 1 0.63789295 0.23887284 0.32432091 1\n C C12 1 0.94841997 0.94095265 0.43544668 1\n C C13 1 0.67947731 0.17307317 0.82923818 1\n C C14 1 0.34079676 0.71820372 0.70638715 1\n C C15 1 0.33008404 0.58807918 -0.02322903 1\n C C16 1 0.10528314 0.93164629 0.61834519 1\n C C17 1 0.25067216 0.96172324 1.08060277 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.99303000\n_cell_length_b 4.82965000\n_cell_length_c 6.35940000\n_cell_angle_alpha 95.42825000\n_cell_angle_beta 104.07203000\n_cell_angle_gamma 92.96868000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 118.07105557\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38303292 0.91698678 0.16127477 1\n C C1 1 0.31232030 0.53051121 0.62588885 1\n C C2 1 0.93580307 0.13184692 -0.06356427 1\n C C3 1 0.63560720 0.18522851 0.78583579 1\n C C4 1 0.42465237 0.42777826 0.18326156 1\n C C5 1 0.62326550 0.48237424 0.77744181 1\n C C6 1 0.14676844 0.26167422 0.54428987 1\n C C7 1 0.55781025 0.18029190 0.24980664 1\n C C8 1 0.18066194 0.77962592 0.56118441 1\n C C9 1 0.85613304 0.12577292 0.40123990 1\n C C10 1 0.11184476 0.39465412 0.02437515 1\n C C11 1 0.34311536 0.05036159 0.64351626 1\n C C12 1 0.87048344 0.82766255 0.40903122 1\n C C13 1 0.57130523 0.69952904 0.25731177 1\n C C14 1 -0.07644943 0.61121145 0.92830759 1\n C C15 1 1.07009351 0.88441547 0.00231288 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52332000\n_cell_length_b 4.66335000\n_cell_length_c 4.97178000\n_cell_angle_alpha 83.84529000\n_cell_angle_beta 90.23440000\n_cell_angle_gamma 90.01101000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.16585165\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58461536 0.29524598 0.85172903 1\n C C1 1 0.58107014 0.76150451 0.09105377 1\n C C2 1 0.58077550 0.26939692 0.34650303 1\n C C3 1 0.08298261 0.91852848 0.67121377 1\n C C4 1 0.58377849 0.97089541 0.83216059 1\n C C5 1 0.58020773 0.43707150 1.06922536 1\n C C6 1 0.08181642 0.81297376 0.25237574 1\n C C7 1 0.58403608 0.46240740 0.57467512 1\n C C8 1 0.08385278 0.64227333 0.53353698 1\n C C9 1 1.08094519 0.08965701 0.38866791 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55716000\n_cell_length_b 4.38000000\n_cell_length_c 7.00475000\n_cell_angle_alpha 75.37353000\n_cell_angle_beta 109.06404000\n_cell_angle_gamma 101.33140000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.18996496\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86229648 0.69579226 0.68820796 1\n C C1 1 0.16764701 0.87461588 0.84969369 1\n C C2 1 0.06033767 0.21797886 0.17476983 1\n C C3 1 1.13585358 0.21192454 0.72738321 1\n C C4 1 -0.04101326 0.85958392 0.18849963 1\n C C5 1 0.49804816 0.71959167 0.31311121 1\n C C6 1 0.35627417 0.34881679 0.36911287 1\n C C7 1 0.72638081 0.36958614 0.78488165 1\n C C8 1 0.75968241 0.85541812 0.49798822 1\n C C9 1 0.82653569 0.41555377 0.00204628 1\n C C10 1 0.77293735 0.76374733 0.98169965 1\n C C11 1 0.91296702 0.20555722 0.49093612 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.18266000\n_cell_length_b 3.28590000\n_cell_length_c 4.81928000\n_cell_angle_alpha 102.95474000\n_cell_angle_beta 101.89244000\n_cell_angle_gamma 111.20659000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.44322873\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77140726 0.56258545 0.50991061 1\n C C1 1 0.82951941 0.62077170 0.00896114 1\n C C2 1 0.17477336 0.96866250 0.70341294 1\n C C3 1 0.21197411 0.00329136 0.00946601 1\n C C4 1 0.61603437 0.40869870 0.20286819 1\n C C5 1 0.55840399 0.34990089 0.70381270 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48213000\n_cell_length_b 4.22078000\n_cell_length_c 3.68846000\n_cell_angle_alpha 104.93070000\n_cell_angle_beta 70.33001000\n_cell_angle_gamma 89.92293000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99374749\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69869926 0.65309219 0.69276448 1\n C C1 1 0.89582197 0.72948905 0.29616265 1\n C C2 1 0.21965357 0.43146368 0.65225572 1\n C C3 1 1.02324577 0.35538550 0.04940910 1\n C C4 1 0.47434476 0.85981498 1.13893137 1\n C C5 1 0.44502247 0.22476131 0.20600818 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42521000\n_cell_length_b 4.20950000\n_cell_length_c 4.86358000\n_cell_angle_alpha 90.71714000\n_cell_angle_beta 120.06628000\n_cell_angle_gamma 90.08883000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.96594404\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42134224 1.08286269 0.34149577 1\n C C1 1 0.47790671 0.73519613 0.39908522 1\n C C2 1 -0.17304395 0.58572170 0.24920066 1\n C C3 1 0.89000426 0.23780507 0.31042616 1\n C C4 1 0.82445075 0.67588033 0.74647120 1\n C C5 1 0.48009019 0.64594207 0.90146878 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48364000\n_cell_length_b 5.94362000\n_cell_length_c 4.11650000\n_cell_angle_alpha 69.75922000\n_cell_angle_beta 89.98103000\n_cell_angle_gamma 89.99119000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.01445414\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80571983 1.02177024 0.62906602 1\n C C1 1 0.30547798 0.41046414 0.43609830 1\n C C2 1 0.30569248 0.88872908 1.19730978 1\n C C3 1 0.30554752 0.41025716 0.80654548 1\n C C4 1 0.80558001 0.27734022 0.37443944 1\n C C5 1 0.30489553 0.64995774 0.83488939 1\n C C6 1 0.80580638 0.02162411 0.00252864 1\n C C7 1 0.30493426 0.64916849 1.16863794 1\n C C8 1 0.30574614 0.88863223 0.56751302 1\n C C9 1 0.80563347 0.27735259 1.00137199 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.53784000\n_cell_length_b 3.63651000\n_cell_length_c 4.42183000\n_cell_angle_alpha 87.40330000\n_cell_angle_beta 106.40446000\n_cell_angle_gamma 124.60582000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.43795985\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33762415 0.25667514 0.00278260 1\n C C1 1 1.14838140 0.47136702 0.81224434 1\n C C2 1 -0.15888628 0.81882719 0.50325535 1\n C C3 1 0.65294594 0.41631149 0.31315903 1\n C C4 1 1.14980429 0.85436739 0.81268001 1\n C C5 1 0.84204899 0.20158297 0.50386448 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68625000\n_cell_length_b 4.69375000\n_cell_length_c 4.50814000\n_cell_angle_alpha 74.33273000\n_cell_angle_beta 91.10447000\n_cell_angle_gamma 111.61209000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.54272308\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03818365 0.73222257 0.82062249 1\n C C1 1 0.42852554 0.44680161 0.74633207 1\n C C2 1 0.39411291 0.89365946 0.30248966 1\n C C3 1 0.48586919 0.44000689 0.25469316 1\n C C4 1 0.42269730 0.89069460 -0.05123711 1\n C C5 1 0.63743559 0.21160703 0.74254917 1\n C C6 1 0.04480161 0.23334429 1.25199904 1\n C C7 1 0.63096676 0.65455891 -0.05441493 1\n C C8 1 1.02145547 0.36921684 0.87106704 1\n C C9 1 0.01529434 0.86791884 0.44076198 1\n C C10 1 0.57398043 0.66163646 0.43783654 1\n C C11 1 0.66660441 0.20861800 0.39048108 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44838000\n_cell_length_b 6.27949000\n_cell_length_c 6.32680000\n_cell_angle_alpha 124.29754000\n_cell_angle_beta 101.17848000\n_cell_angle_gamma 89.91572000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.13382008\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87869668 0.72923479 0.61280159 1\n C C1 1 0.70285333 0.14421127 0.24613802 1\n C C2 1 0.83122602 0.25163084 0.50533812 1\n C C3 1 0.20236299 0.68591459 0.25899538 1\n C C4 1 0.41201845 0.32746412 0.66678541 1\n C C5 1 0.03363928 0.16828217 0.90766802 1\n C C6 1 1.12202298 0.06887224 1.08449537 1\n C C7 1 0.31789751 0.70687527 0.49336815 1\n C C8 1 0.01124138 0.76080806 -0.13321902 1\n C C9 1 1.50239559 0.22728538 0.84249889 1\n C C10 1 0.52130229 0.63537467 0.88698258 1\n C C11 1 0.64203199 0.66444350 0.13983589 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.87711000\n_cell_length_b 4.87849000\n_cell_length_c 3.72065000\n_cell_angle_alpha 99.59822000\n_cell_angle_beta 99.38299000\n_cell_angle_gamma 121.54510000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.01179904\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01821987 0.50116517 0.66884545 1\n C C1 1 0.35861406 0.16027609 0.67020774 1\n C C2 1 0.94306152 0.90732349 0.02264059 1\n C C3 1 0.30554874 0.13924265 0.24975569 1\n C C4 1 0.81575819 0.64219337 0.22412640 1\n C C5 1 0.76486013 0.08575532 0.02118254 1\n C C6 1 0.66430532 0.14772482 0.65504910 1\n C C7 1 -0.00405057 0.44812654 0.24790626 1\n C C8 1 0.26356861 0.58529721 0.05629833 1\n C C9 1 0.49930735 -0.04133242 0.22276267 1\n C C10 1 1.00576547 0.80697119 0.65645307 1\n C C11 1 0.44249871 0.40606627 0.05786926 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45720000\n_cell_length_b 3.66319000\n_cell_length_c 6.47702000\n_cell_angle_alpha 107.44285000\n_cell_angle_beta 79.06309000\n_cell_angle_gamma 109.59849000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.13912755\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32084137 1.14673017 0.35055527 1\n C C1 1 0.94465735 0.30573163 0.26333671 1\n C C2 1 0.04254860 0.26348667 0.02625173 1\n C C3 1 1.09780382 0.74893823 0.40067242 1\n C C4 1 0.69345408 0.22499815 0.68503324 1\n C C5 1 0.31534190 0.38481621 0.59886798 1\n C C6 1 0.54121730 0.78223912 0.54691849 1\n C C7 1 0.59345369 0.25924643 0.92105847 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43200000\n_cell_length_b 4.86260000\n_cell_length_c 5.64159000\n_cell_angle_alpha 89.81506000\n_cell_angle_beta 90.70720000\n_cell_angle_gamma 120.19923000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.65715636\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54506125 0.14655515 0.75956716 1\n C C1 1 0.60876536 0.65211800 0.25924660 1\n C C2 1 0.27490727 0.81908779 0.25929140 1\n C C3 1 0.60876440 0.15211271 0.25938918 1\n C C4 1 -0.12101288 -0.02044418 0.75965052 1\n C C5 1 0.54506655 0.64655873 0.75952283 1\n C C6 1 1.27491948 0.31909188 0.25940314 1\n C C7 1 -0.12100542 0.47956542 0.75962727 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50980000\n_cell_length_b 4.53873000\n_cell_length_c 7.66744000\n_cell_angle_alpha 88.19733000\n_cell_angle_beta 75.51140000\n_cell_angle_gamma 70.60499000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.63799710\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23498883 1.03577141 0.44168754 1\n C C1 1 0.53053728 0.47835739 0.30824170 1\n C C2 1 0.97944914 0.39137149 0.41378001 1\n C C3 1 0.95807442 0.91354175 0.15969473 1\n C C4 1 0.91154779 0.69926404 0.66604548 1\n C C5 1 0.70988162 0.80235446 0.87258531 1\n C C6 1 0.53108307 1.14903055 0.86224718 1\n C C7 1 0.58628944 0.51705094 0.61303040 1\n C C8 1 0.32609409 0.35979346 0.02345655 1\n C C9 1 0.71855814 0.98559711 0.55908181 1\n C C10 1 0.42722314 0.83173885 0.26743885 1\n C C11 1 0.77948730 0.27681108 0.13136663 1\n C C12 1 0.18681416 0.71023575 0.97861300 1\n C C13 1 0.56982388 0.23201812 0.69654602 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63489000\n_cell_length_b 3.16913000\n_cell_length_c 4.83149000\n_cell_angle_alpha 118.64434000\n_cell_angle_beta 67.74827000\n_cell_angle_gamma 113.72587000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.50407591\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09788628 1.24851835 0.46032431 1\n C C1 1 0.75185637 0.24442645 0.15015956 1\n C C2 1 0.71480604 0.24817658 0.46126023 1\n C C3 1 0.36857723 0.24387513 0.15108014 1\n C C4 1 0.31212863 0.24573094 0.64957675 1\n C C5 1 0.15447445 0.24689495 0.96187692 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64688000\n_cell_length_b 3.14099000\n_cell_length_c 4.81757000\n_cell_angle_alpha 118.53415000\n_cell_angle_beta 112.27917000\n_cell_angle_gamma 89.13912000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.91593221\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63560538 0.45710087 0.07733139 1\n C C1 1 0.57541984 0.45487437 0.57686074 1\n C C2 1 1.01569106 0.45686281 0.07729899 1\n C C3 1 -0.01736648 0.45955676 0.77164939 1\n C C4 1 0.36271920 0.45931870 0.77161699 1\n C C5 1 0.42290474 0.46154520 0.27208764 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36895000\n_cell_length_b 3.29052000\n_cell_length_c 9.45436000\n_cell_angle_alpha 101.73154000\n_cell_angle_beta 69.78187000\n_cell_angle_gamma 93.87618000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 96.29457267\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06740653 0.18708631 0.27087844 1\n C C1 1 0.54958115 0.18750580 0.52301839 1\n C C2 1 0.42774134 0.86263307 0.19470284 1\n C C3 1 0.06561452 0.44149240 0.77603757 1\n C C4 1 0.61184007 0.78273561 1.01407275 1\n C C5 1 0.74531997 0.82613363 0.26567487 1\n C C6 1 0.42588476 1.01499330 0.92594029 1\n C C7 1 0.41633369 0.12728177 0.68610791 1\n C C8 1 0.91909719 0.42902827 0.43903089 1\n C C9 1 0.60882171 -0.23500354 0.42970340 1\n C C10 1 0.27602257 0.43434590 0.01019111 1\n C C11 1 0.23855326 0.52176036 0.51326839 1\n C C12 1 1.06541072 0.66705952 -0.06868460 1\n C C13 1 0.10087455 0.51421487 0.18249175 1\n C C14 1 0.08984747 0.76146803 0.68140483 1\n C C15 1 0.72192399 0.08189619 0.76536238 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46604000\n_cell_length_b 4.16867000\n_cell_length_c 8.22166000\n_cell_angle_alpha 87.46696000\n_cell_angle_beta 81.12267000\n_cell_angle_gamma 90.05940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 83.42284718\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88677431 0.34201788 0.27120919 1\n C C1 1 0.63162826 0.58771407 0.93529625 1\n C C2 1 0.38600758 0.84219147 0.27273024 1\n C C3 1 0.88661732 0.67685735 0.27151206 1\n C C4 1 -0.19563401 0.47813752 0.60372786 1\n C C5 1 0.38570161 0.17632199 0.27339856 1\n C C6 1 1.13316306 1.08767609 -0.06847126 1\n C C7 1 0.30242458 0.47784436 0.60612267 1\n C C8 1 0.63327038 0.92252508 -0.06869755 1\n C C9 1 0.13141421 0.42207468 0.93606649 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.17108000\n_cell_length_b 3.28777000\n_cell_length_c 4.82483000\n_cell_angle_alpha 100.21765000\n_cell_angle_beta 104.85616000\n_cell_angle_gamma 111.05348000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.30311097\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03545655 0.64129622 0.01673344 1\n C C1 1 0.09265359 0.69903074 0.51520942 1\n C C2 1 0.65175119 0.25896921 0.01623236 1\n C C3 1 0.68933735 0.29192387 0.32082194 1\n C C4 1 0.24812844 0.85212402 0.82184590 1\n C C5 1 0.30461079 -0.08977476 0.32018584 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29434000\n_cell_length_b 4.19256000\n_cell_length_c 5.84934000\n_cell_angle_alpha 90.36720000\n_cell_angle_beta 134.43843000\n_cell_angle_gamma 89.67526000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.68265449\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92205564 0.60493233 0.81429095 1\n C C1 1 0.42413466 0.10492432 1.06247800 1\n C C2 1 0.42291352 0.77209143 0.56376169 1\n C C3 1 -0.07790658 0.27211463 0.81429906 1\n C C4 1 0.42414343 0.77204875 0.06247656 1\n C C5 1 0.92462849 0.60489259 0.31233981 1\n C C6 1 -0.07536784 0.27202938 0.31232512 1\n C C7 1 0.42287409 0.10489888 0.56376051 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45062000\n_cell_length_b 6.96270000\n_cell_length_c 8.91781000\n_cell_angle_alpha 62.07490000\n_cell_angle_beta 89.97116000\n_cell_angle_gamma 79.87687000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 131.76635216\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29235620 0.03891087 0.83418251 1\n C C1 1 0.52638216 0.56655695 0.92496767 1\n C C2 1 0.63587322 0.34547982 -0.01007793 1\n C C3 1 0.64634042 0.31417770 0.30531621 1\n C C4 1 0.96855284 0.68053991 0.93035678 1\n C C5 1 0.30377777 0.00891496 0.01395659 1\n C C6 1 0.51318669 0.60758372 0.50648087 1\n C C7 1 0.21429097 0.17958776 0.34967363 1\n C C8 1 0.97790506 0.65359080 0.13295201 1\n C C9 1 0.28918117 0.02955636 0.53966090 1\n C C10 1 0.17799936 0.27862041 0.70635895 1\n C C11 1 0.96052653 0.70810278 0.43587169 1\n C C12 1 0.20351171 0.21135423 0.04517081 1\n C C13 1 0.28244780 0.05690285 0.24523900 1\n C C14 1 0.86670934 0.88357432 0.11033125 1\n C C15 1 0.84740292 0.92745806 0.80742331 1\n C C16 1 0.62278153 0.38655589 0.64691396 1\n C C17 1 0.53823620 0.53264905 0.21199985 1\n C C18 1 0.85440900 0.91547994 0.27306233 1\n C C19 1 0.81443711 0.98209042 0.62431789 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47283000\n_cell_length_b 4.08886000\n_cell_length_c 5.44189000\n_cell_angle_alpha 115.11501000\n_cell_angle_beta 90.08443000\n_cell_angle_gamma 90.03841000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.82111941\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05693094 0.63236099 0.37943405 1\n C C1 1 0.94291876 0.13092127 0.87803878 1\n C C2 1 0.44287389 0.04937544 0.24390678 1\n C C3 1 0.44309690 0.47714288 0.43175914 1\n C C4 1 0.94297548 0.39437729 0.79708966 1\n C C5 1 0.44290622 0.54939373 0.74477871 1\n C C6 1 -0.05726889 0.89424947 0.29678512 1\n C C7 1 0.44297196 0.97712404 0.93172726 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.18499000\n_cell_length_b 4.81651000\n_cell_length_c 3.29165000\n_cell_angle_alpha 73.04201000\n_cell_angle_beta 68.73227000\n_cell_angle_gamma 97.65459000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.36255967\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48122823 0.27330823 0.52010989 1\n C C1 1 0.86462297 0.27371399 0.13780709 1\n C C2 1 1.07709311 0.07940639 0.92511750 1\n C C3 1 0.12880661 0.57805055 -0.13400146 1\n C C4 1 0.51266349 0.57861641 0.48369242 1\n C C5 1 0.91708039 0.77257523 0.07884457 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.88699000\n_cell_length_b 3.40732000\n_cell_length_c 4.98730000\n_cell_angle_alpha 64.32791000\n_cell_angle_beta 96.48441000\n_cell_angle_gamma 108.84764000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.31232928\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85100173 0.15930775 0.04916520 1\n C C1 1 0.27116793 0.49488283 0.63034595 1\n C C2 1 0.66579041 0.80527061 0.63747605 1\n C C3 1 0.99294471 0.62465147 0.77235195 1\n C C4 1 0.43706440 0.40459666 0.19143609 1\n C C5 1 0.76577864 0.22451983 0.32649442 1\n C C6 1 0.17643596 0.01426850 0.12329034 1\n C C7 1 0.57924436 0.86893483 0.91554569 1\n C C8 1 0.16069799 0.53435431 0.33418060 1\n C C9 1 0.25443618 1.01511992 0.84120432 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49930000\n_cell_length_b 4.26141000\n_cell_length_c 5.14531000\n_cell_angle_alpha 118.89639000\n_cell_angle_beta 90.02227000\n_cell_angle_gamma 89.99568000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.97741857\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03981669 0.82940379 0.34981794 1\n C C1 1 0.96002580 0.81252279 0.03730098 1\n C C2 1 0.46018964 0.61923579 0.32424889 1\n C C3 1 0.46003089 1.02290826 0.06373290 1\n C C4 1 0.96001398 0.40397314 0.85843877 1\n C C5 1 0.46013026 0.31735296 0.40411020 1\n C C6 1 0.46007399 0.32496079 -0.01595702 1\n C C7 1 0.96017063 0.23821107 0.52979754 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48139000\n_cell_length_b 3.68719000\n_cell_length_c 4.22254000\n_cell_angle_alpha 74.93522000\n_cell_angle_beta 89.92619000\n_cell_angle_gamma 70.37293000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98079447\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99571176 0.19652916 0.26769972 1\n C C1 1 0.77500213 0.64239060 1.06081911 1\n C C2 1 0.25473568 0.68337913 0.83910710 1\n C C3 1 0.03116258 0.12947921 0.63248706 1\n C C4 1 0.45281004 0.28617495 0.76315900 1\n C C5 1 0.57405621 1.03945055 0.13718460 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43708000\n_cell_length_b 4.68788000\n_cell_length_c 5.74092000\n_cell_angle_alpha 127.73414000\n_cell_angle_beta 115.18179000\n_cell_angle_gamma 74.92640000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.94153492\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96252055 0.84750843 0.10233660 1\n C C1 1 -0.10845276 0.83996908 0.52765954 1\n C C2 1 0.10050576 0.53320988 0.58158150 1\n C C3 1 0.96317019 0.21924495 0.78843396 1\n C C4 1 0.22928252 0.33094484 0.11215197 1\n C C5 1 0.77805788 0.53327796 0.75884494 1\n C C6 1 0.22985900 0.73582376 0.31441781 1\n C C7 1 0.89061975 0.22688541 0.22129308 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43138000\n_cell_length_b 5.74001000\n_cell_length_c 5.81215000\n_cell_angle_alpha 109.51131000\n_cell_angle_beta 102.32093000\n_cell_angle_gamma 101.33107000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.46913634\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16387595 0.73655381 0.28070921 1\n C C1 1 -0.03470899 -0.06372388 0.68072810 1\n C C2 1 0.96339450 0.27086274 0.34686548 1\n C C3 1 0.56299947 0.67125599 0.14676082 1\n C C4 1 1.16533808 0.07106708 0.94679954 1\n C C5 1 0.76633125 0.13630954 0.08081217 1\n C C6 1 0.36676510 0.53654735 0.88077616 1\n C C7 1 0.56373783 0.33609059 0.48071235 1\n C C8 1 0.76627042 0.47132348 0.74685433 1\n C C9 1 0.36507768 0.87126111 0.54686283 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.08613000\n_cell_length_b 2.42919000\n_cell_length_c 5.82772000\n_cell_angle_alpha 99.15037000\n_cell_angle_beta 86.43600000\n_cell_angle_gamma 84.46073000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.79806074\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29506567 0.11418464 0.40455877 1\n C C1 1 -0.03826766 0.78085131 0.73789210 1\n C C2 1 0.85104959 0.33667096 -0.15039057 1\n C C3 1 0.51771626 1.00333763 0.18294276 1\n C C4 1 1.18438293 0.67000429 0.51627610 1\n C C5 1 0.62839901 0.44751797 0.07122544 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52773000\n_cell_length_b 5.84794000\n_cell_length_c 5.54728000\n_cell_angle_alpha 84.32210000\n_cell_angle_beta 76.82233000\n_cell_angle_gamma 64.31861000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.95388809\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62164411 0.81018543 0.03388728 1\n C C1 1 0.67973518 0.88797884 0.76310022 1\n C C2 1 -0.12179116 0.26320777 0.61651150 1\n C C3 1 0.22456212 0.67584468 0.09762310 1\n C C4 1 0.37996792 0.18802943 0.76301139 1\n C C5 1 0.49804542 0.40274762 1.09691147 1\n C C6 1 0.32785494 0.81327146 0.61641485 1\n C C7 1 0.66513288 0.53855339 0.49173679 1\n C C8 1 0.24141619 0.53885577 0.33857953 1\n C C9 1 0.16482929 0.26806476 1.03332968 1\n C C10 1 0.19401485 1.03880503 0.43278742 1\n C C11 1 0.31475976 0.03931372 0.19029805 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51347000\n_cell_length_b 3.51651000\n_cell_length_c 4.83657000\n_cell_angle_alpha 111.37870000\n_cell_angle_beta 111.31154000\n_cell_angle_gamma 119.95547000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.52356060\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93481658 0.73342293 0.88101918 1\n C C1 1 0.30444923 0.33429700 0.71422338 1\n C C2 1 0.33306634 0.66775499 0.04781165 1\n C C3 1 0.97083517 0.30517246 0.38083228 1\n C C4 1 -0.09401709 0.70427114 0.54748638 1\n C C5 1 0.26798256 0.37080248 0.21426313 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48797000\n_cell_length_b 4.30389000\n_cell_length_c 4.30440000\n_cell_angle_alpha 80.40546000\n_cell_angle_beta 89.96961000\n_cell_angle_gamma 73.17876000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.44641405\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08845893 0.62579531 0.13710585 1\n C C1 1 0.65013903 0.50097627 0.32431256 1\n C C2 1 0.40013080 1.00098633 0.57427094 1\n C C3 1 -0.16154930 0.12580536 0.38706422 1\n C C4 1 0.33856663 0.12579520 0.88706297 1\n C C5 1 0.58829545 0.62581567 0.63710642 1\n C C6 1 0.15002310 0.50098643 0.82431381 1\n C C7 1 0.90029428 0.00096597 1.07427036 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44040000\n_cell_length_b 4.19329000\n_cell_length_c 7.46361000\n_cell_angle_alpha 92.77738000\n_cell_angle_beta 89.98665000\n_cell_angle_gamma 90.00941000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 76.28767685\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02360008 0.94880378 0.19267927 1\n C C1 1 0.52371667 0.44577671 0.14649607 1\n C C2 1 1.02376884 0.02294100 0.39011908 1\n C C3 1 0.02380692 0.46014650 0.68265825 1\n C C4 1 -0.47632299 0.10898365 0.47218247 1\n C C5 1 0.52366154 0.78958115 0.11938358 1\n C C6 1 0.02387055 0.67270770 0.83425004 1\n C C7 1 0.52378906 0.33463952 0.61728849 1\n C C8 1 0.52379727 0.74181701 0.92042597 1\n C C9 1 0.02370247 0.28892938 0.15467689 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48752000\n_cell_length_b 6.57948000\n_cell_length_c 5.55978000\n_cell_angle_alpha 115.00665000\n_cell_angle_beta 102.93260000\n_cell_angle_gamma 100.91391000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 76.10678094\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63658016 0.17682007 0.23348257 1\n C C1 1 -0.03927447 0.78452099 0.26990524 1\n C C2 1 0.10335863 0.49835846 0.84050556 1\n C C3 1 0.20893237 0.03455927 0.51969464 1\n C C4 1 0.53225768 0.64138036 0.55526802 1\n C C5 1 0.49542089 0.46215946 0.66177609 1\n C C6 1 0.92553383 0.60622119 0.37721506 1\n C C7 1 1.06588726 0.32016979 0.94826284 1\n C C8 1 0.38712330 0.92681334 0.98314165 1\n C C9 1 -0.21922931 0.89120521 0.80496121 1\n C C10 1 1.24366789 0.21227570 0.41201408 1\n C C11 1 0.35392709 0.74860893 0.09107339 1\n C C12 1 0.67376264 0.35611720 0.12712504 1\n C C13 1 0.81526133 0.07020334 0.69793731 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46101000\n_cell_length_b 3.35657000\n_cell_length_c 4.48581000\n_cell_angle_alpha 68.03031000\n_cell_angle_beta 84.64005000\n_cell_angle_gamma 75.52098000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.27294620\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19177697 0.34155296 0.50455949 1\n C C1 1 0.97874925 0.58846634 0.73760014 1\n C C2 1 0.39739946 0.86187621 0.73763955 1\n C C3 1 0.69173837 0.44664350 0.29389520 1\n C C4 1 0.47872167 0.92678668 0.06043808 1\n C C5 1 0.89732717 0.20034161 0.06039194 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48524000\n_cell_length_b 4.78156000\n_cell_length_c 4.67793000\n_cell_angle_alpha 87.76579000\n_cell_angle_beta 105.38442000\n_cell_angle_gamma 121.34492000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44282444\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86054166 0.43592670 0.66818907 1\n C C1 1 0.19814383 0.61667904 0.98217182 1\n C C2 1 0.71268429 0.90360910 0.43885037 1\n C C3 1 0.61270081 0.97261328 1.09850168 1\n C C4 1 1.13569076 0.20990555 0.67087131 1\n C C5 1 0.65089235 0.49790736 0.12656008 1\n C C6 1 -0.01218925 0.67795152 0.44057765 1\n C C7 1 0.23938584 0.14231906 1.01257582 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51405000\n_cell_length_b 4.79306000\n_cell_length_c 5.03889000\n_cell_angle_alpha 87.33656000\n_cell_angle_beta 91.99875000\n_cell_angle_gamma 72.15127000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.65661741\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66488137 0.05338060 0.82169880 1\n C C1 1 0.97208412 0.51904945 0.85832359 1\n C C2 1 0.57059560 0.34170500 0.93970921 1\n C C3 1 -0.15568812 0.79684290 0.01425452 1\n C C4 1 0.34028537 0.81409873 0.18183853 1\n C C5 1 0.25580426 0.09795076 0.32699269 1\n C C6 1 0.62920174 0.28060476 0.25300376 1\n C C7 1 0.43406287 0.56824685 0.39775491 1\n C C8 1 0.87497701 0.63456228 0.56447958 1\n C C9 1 0.55272687 0.96395137 0.58689012 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44298000\n_cell_length_b 6.30499000\n_cell_length_c 4.19982000\n_cell_angle_alpha 73.36374000\n_cell_angle_beta 89.99072000\n_cell_angle_gamma 78.85972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.70919999\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.09441078 0.17739601 0.99040578 1\n C C1 1 0.99437868 0.37959579 0.73062300 1\n C C2 1 0.64647754 0.07179778 1.10522936 1\n C C3 1 0.77212228 0.82226158 0.26137597 1\n C C4 1 0.31643149 0.73197528 0.45345076 1\n C C5 1 0.79023654 0.78397500 0.93283739 1\n C C6 1 0.44258415 0.48392625 0.61400951 1\n C C7 1 0.29495685 0.77433432 0.77963103 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45508000\n_cell_length_b 4.40100000\n_cell_length_c 7.16997000\n_cell_angle_alpha 118.17534000\n_cell_angle_beta 89.91160000\n_cell_angle_gamma 73.98599000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 64.84136420\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35481354 0.94244637 0.33906531 1\n C C1 1 1.07245325 0.50715148 1.00788775 1\n C C2 1 0.70246036 1.24995818 0.66906958 1\n C C3 1 0.88453858 0.88165245 0.21435105 1\n C C4 1 0.75414806 0.14417120 0.13279601 1\n C C5 1 0.25867093 1.13737681 0.55293348 1\n C C6 1 0.20437150 0.24491603 0.08995105 1\n C C7 1 0.60460018 0.44495699 0.88293148 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32290000\n_cell_length_b 3.91511000\n_cell_length_c 3.78588000\n_cell_angle_alpha 88.13723000\n_cell_angle_beta 95.99219000\n_cell_angle_gamma 74.20571000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.03840961\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21972968 0.45103843 0.60783500 1\n C C1 1 0.78980035 0.68932107 0.47435681 1\n C C2 1 0.41572660 0.30623011 0.29806469 1\n C C3 1 0.46953376 0.70866035 0.76308414 1\n C C4 1 1.04140285 0.19662722 0.11637724 1\n C C5 1 1.14037779 0.09058590 0.75389452 1\n C C6 1 0.65685075 0.52935903 1.12694642 1\n C C7 1 0.84230611 1.04087710 0.41981998 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.77986000\n_cell_length_b 4.88488000\n_cell_length_c 4.23726000\n_cell_angle_alpha 83.40412000\n_cell_angle_beta 90.02343000\n_cell_angle_gamma 49.56739000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.86678430\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35295731 0.14707925 -0.03006465 1\n C C1 1 0.45139856 0.27631866 1.20191285 1\n C C2 1 0.07710927 0.64990940 0.20282375 1\n C C3 1 0.99466672 0.27938250 0.73688323 1\n C C4 1 0.62024203 0.65289935 0.73785407 1\n C C5 1 0.15734971 0.96515468 0.58966087 1\n C C6 1 0.71719134 0.78132894 -0.02785409 1\n C C7 1 -0.08542414 -0.03558548 0.35062156 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47358000\n_cell_length_b 3.28807000\n_cell_length_c 6.92134000\n_cell_angle_alpha 70.06180000\n_cell_angle_beta 100.28214000\n_cell_angle_gamma 67.85697000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.86788326\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44160218 0.41148945 0.46166098 1\n C C1 1 0.44177661 0.09172536 0.14213513 1\n C C2 1 0.44177661 0.59172536 0.64213513 1\n C C3 1 0.08042410 0.95327600 0.28125040 1\n C C4 1 0.08042410 0.45327600 0.78125040 1\n C C5 1 0.08034606 0.63359605 -0.03854981 1\n C C6 1 0.08034606 1.13359605 0.46145019 1\n C C7 1 0.44160218 0.91148945 0.96166098 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43123000\n_cell_length_b 4.31977000\n_cell_length_c 4.22213000\n_cell_angle_alpha 82.71332000\n_cell_angle_beta 83.36285000\n_cell_angle_gamma 80.53520000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18162844\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43141112 0.47081291 0.48000328 1\n C C1 1 0.31952007 0.69232456 0.70163532 1\n C C2 1 0.98620965 0.35922460 0.36809200 1\n C C3 1 0.65294206 0.02564285 0.03493418 1\n C C4 1 0.09813205 0.13730592 1.14678839 1\n C C5 1 0.76470604 0.80394805 0.81346133 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42525000\n_cell_length_b 6.08941000\n_cell_length_c 4.16379000\n_cell_angle_alpha 109.01195000\n_cell_angle_beta 90.06300000\n_cell_angle_gamma 101.43815000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.83984638\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78722928 0.13225047 0.28095824 1\n C C1 1 0.10050346 0.76069826 0.13062637 1\n C C2 1 0.91042870 0.38277118 0.51850616 1\n C C3 1 0.45834586 0.47928554 0.66617997 1\n C C4 1 0.55192736 0.66451666 0.98276507 1\n C C5 1 0.25213645 0.05453320 0.73883411 1\n C C6 1 0.22642032 0.01131295 0.36801070 1\n C C7 1 0.76820807 0.08736955 -0.09047832 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43062000\n_cell_length_b 3.88604000\n_cell_length_c 6.32725000\n_cell_angle_alpha 108.50588000\n_cell_angle_beta 90.18043000\n_cell_angle_gamma 90.26662000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.67233760\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.27324049 0.23058831 0.23297122 1\n C C1 1 0.72675808 0.73070041 0.73305963 1\n C C2 1 0.22675498 0.98073363 0.48306567 1\n C C3 1 0.22676583 0.48091511 -0.01685692 1\n C C4 1 1.22690831 0.64503973 0.81558494 1\n C C5 1 0.22689034 0.14480011 0.31544779 1\n C C6 1 0.72688900 0.89479157 0.56545693 1\n C C7 1 0.72689995 0.39491404 0.06548574 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30283000\n_cell_length_b 3.30376000\n_cell_length_c 5.21773000\n_cell_angle_alpha 95.23392000\n_cell_angle_beta 64.53946000\n_cell_angle_gamma 79.75197000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.67583182\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81053146 0.68316040 1.00207763 1\n C C1 1 0.55039363 0.10113430 0.71602838 1\n C C2 1 0.87838501 0.77567491 0.71627928 1\n C C3 1 -0.04558177 1.00089014 0.17552992 1\n C C4 1 0.31713662 0.63829485 0.17579452 1\n C C5 1 0.57761201 0.21841515 0.46036129 1\n C C6 1 0.17325402 0.32116423 0.00168682 1\n C C7 1 0.24997641 0.54406773 0.46049226 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48174000\n_cell_length_b 3.68815000\n_cell_length_c 4.21938000\n_cell_angle_alpha 104.98590000\n_cell_angle_beta 90.01640000\n_cell_angle_gamma 109.64740000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97273586\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65020654 0.46726888 0.30579606 1\n C C1 1 -0.09392999 -0.01973606 0.87719325 1\n C C2 1 -0.12546235 0.91328083 0.51250416 1\n C C3 1 0.45325062 1.07048916 0.38211254 1\n C C4 1 0.32788672 0.82354076 0.00782763 1\n C C5 1 1.12915706 0.42631144 0.08361266 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47922000\n_cell_length_b 3.68142000\n_cell_length_c 4.82757000\n_cell_angle_alpha 57.61405000\n_cell_angle_beta 75.30600000\n_cell_angle_gamma 70.43143000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.90601352\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.14562577 0.69183199 0.86080364 1\n C C1 1 0.18393633 0.98758615 0.49608712 1\n C C2 1 0.40506116 0.74852530 0.28961979 1\n C C3 1 0.60581325 0.27516850 0.36510127 1\n C C4 1 0.92446726 -0.06951510 0.06785549 1\n C C5 1 0.72396014 0.40435485 0.99146229 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.64703000\n_cell_length_b 5.33045000\n_cell_length_c 4.66280000\n_cell_angle_alpha 78.43910000\n_cell_angle_beta 89.26882000\n_cell_angle_gamma 119.01549000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.90039024\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83806155 0.30873984 0.45659917 1\n C C1 1 0.30732429 0.77899197 0.17358819 1\n C C2 1 0.12147333 0.59168753 0.98398534 1\n C C3 1 0.60082029 0.06788157 1.01220182 1\n C C4 1 0.83214327 0.30282879 0.14566279 1\n C C5 1 0.59500614 0.06212250 0.70040719 1\n C C6 1 0.28551793 0.75411224 0.69437231 1\n C C7 1 0.14500420 0.61638836 0.46309579 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46564000\n_cell_length_b 3.21065000\n_cell_length_c 7.60647000\n_cell_angle_alpha 106.33118000\n_cell_angle_beta 90.00281000\n_cell_angle_gamma 67.40163000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.95102327\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77066459 -0.03090161 0.48517532 1\n C C1 1 -0.13222260 0.77282383 -0.06651023 1\n C C2 1 0.10803030 0.29213853 0.77622563 1\n C C3 1 0.65735818 0.19213823 0.66828771 1\n C C4 1 1.22852031 0.05102665 0.93612407 1\n C C5 1 0.44002032 0.63248101 0.20253945 1\n C C6 1 -0.01071299 0.53247219 0.09429887 1\n C C7 1 0.33093401 0.84852508 0.38580417 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63528000\n_cell_length_b 3.27840000\n_cell_length_c 3.26413000\n_cell_angle_alpha 80.83077000\n_cell_angle_beta 75.47662000\n_cell_angle_gamma 75.36946000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.24548484\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26934795 0.18945226 0.74202188 1\n C C1 1 0.65101174 0.24248412 0.47456981 1\n C C2 1 0.65159138 0.56112406 0.15911591 1\n C C3 1 0.03339665 0.61493340 0.89260626 1\n C C4 1 1.03269049 0.97600730 0.53072912 1\n C C5 1 0.27032448 0.82899727 0.10334652 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42737000\n_cell_length_b 3.38314000\n_cell_length_c 8.44020000\n_cell_angle_alpha 78.49010000\n_cell_angle_beta 110.97101000\n_cell_angle_gamma 74.17755000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.76463045\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84214826 0.01328728 0.98374022 1\n C C1 1 0.50911158 0.34647582 0.81685813 1\n C C2 1 0.50909534 0.84646396 0.56685462 1\n C C3 1 0.84224319 0.01324629 0.48373880 1\n C C4 1 0.84230138 0.51321645 0.73373605 1\n C C5 1 -0.15789306 0.51326841 0.23374504 1\n C C6 1 0.50895566 0.34648989 0.31686202 1\n C C7 1 0.50896926 0.84651741 0.06686812 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48736000\n_cell_length_b 4.69771000\n_cell_length_c 4.06003000\n_cell_angle_alpha 73.98493000\n_cell_angle_beta 89.97619000\n_cell_angle_gamma 89.98056000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.59979695\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90742058 0.90206692 -0.07554356 1\n C C1 1 0.90763279 0.12779859 0.12515784 1\n C C2 1 -0.09164496 0.43583238 0.89194047 1\n C C3 1 0.40724937 0.47972005 0.35882760 1\n C C4 1 0.40770470 0.89721596 0.69893697 1\n C C5 1 0.40840459 0.55068108 0.69064815 1\n C C6 1 0.90730995 0.59457856 0.15760143 1\n C C7 1 0.40737368 1.13306565 0.35056709 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.24781000\n_cell_length_b 3.67901000\n_cell_length_c 4.86502000\n_cell_angle_alpha 112.93711000\n_cell_angle_beta 90.22630000\n_cell_angle_gamma 94.87065000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.70815572\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06553868 0.82282350 0.23813152 1\n C C1 1 0.56155512 0.76890431 0.96923066 1\n C C2 1 0.21057839 0.70966114 0.94282641 1\n C C3 1 0.71479263 0.76522136 0.21699392 1\n C C4 1 0.14153217 0.28731149 0.73309301 1\n C C5 1 0.20433148 0.64260585 0.43851814 1\n C C6 1 0.55651275 0.74084862 0.46328136 1\n C C7 1 0.72000943 -0.19848574 0.72523994 1\n C C8 1 0.07161935 0.89329259 0.74396894 1\n C C9 1 0.13734480 0.24692578 0.44702198 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42484000\n_cell_length_b 4.86079000\n_cell_length_c 4.21506000\n_cell_angle_alpha 89.72797000\n_cell_angle_beta 89.87089000\n_cell_angle_gamma 60.18650000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.10548596\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57615921 0.20257571 0.14158344 1\n C C1 1 1.04698737 0.23158825 0.29730410 1\n C C2 1 0.63538681 0.64163222 0.70283684 1\n C C3 1 0.97926172 0.79738659 0.73147191 1\n C C4 1 0.98427654 0.29359982 0.64458126 1\n C C5 1 0.63277086 1.14461261 0.79350385 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53244000\n_cell_length_b 2.45673000\n_cell_length_c 6.87892000\n_cell_angle_alpha 110.86080000\n_cell_angle_beta 98.61198000\n_cell_angle_gamma 88.76722000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.51756375\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41464042 1.34251421 0.41735119 1\n C C1 1 0.57532375 0.17943968 0.75486350 1\n C C2 1 0.51524574 0.57407362 0.64813111 1\n C C3 1 0.70431924 0.39484681 -0.02379380 1\n C C4 1 0.76801688 -0.00025329 0.08261621 1\n C C5 1 -0.12467383 0.23228547 0.31332358 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48120000\n_cell_length_b 4.21784000\n_cell_length_c 3.68867000\n_cell_angle_alpha 104.83977000\n_cell_angle_beta 70.35521000\n_cell_angle_gamma 90.00864000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98654819\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62285457 1.00522139 0.74242715 1\n C C1 1 0.84526917 0.79898839 0.29705285 1\n C C2 1 0.42370441 -0.07034214 0.13982713 1\n C C3 1 0.87825111 0.43385218 0.22713880 1\n C C4 1 1.10358696 0.22730899 0.78146146 1\n C C5 1 0.30005779 0.30289679 0.38356521 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.94278000\n_cell_length_b 6.42548000\n_cell_length_c 5.71260000\n_cell_angle_alpha 141.57949000\n_cell_angle_beta 83.75749000\n_cell_angle_gamma 105.11673000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.71473803\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06711330 0.45564383 0.37333773 1\n C C1 1 0.82588628 0.78667787 0.25804471 1\n C C2 1 0.43288131 0.95566447 -0.12663744 1\n C C3 1 1.10124065 0.95498637 0.53873540 1\n C C4 1 0.49086757 0.78717752 -0.07418268 1\n C C5 1 0.65900381 0.28684210 0.09169347 1\n C C6 1 0.32586187 0.28665394 0.75803376 1\n C C7 1 0.26739619 0.45511181 0.70569902 1\n C C8 1 -0.00912496 0.28716876 0.42579198 1\n C C9 1 0.76739700 -0.04487838 0.20570874 1\n C C10 1 0.15901469 0.78680794 0.59165187 1\n C C11 1 0.60122318 0.45502477 0.03878064 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42546000\n_cell_length_b 5.91590000\n_cell_length_c 6.03427000\n_cell_angle_alpha 90.00252000\n_cell_angle_beta 90.00489000\n_cell_angle_gamma 89.98960000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.58440371\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68225830 0.61234827 0.17049569 1\n C C1 1 1.18222491 0.31672933 -0.03965708 1\n C C2 1 0.68217771 0.40833911 0.02546556 1\n C C3 1 -0.31763668 0.81598183 0.02506182 1\n C C4 1 0.18214315 0.40749778 0.45988329 1\n C C5 1 0.68221397 0.31591715 0.52500352 1\n C C6 1 0.18230390 0.11241091 0.81669068 1\n C C7 1 0.18225983 0.61236856 0.31668133 1\n C C8 1 0.68236289 -0.09178159 0.52557823 1\n C C9 1 0.18230597 0.90756366 0.95994933 1\n C C10 1 0.68230526 0.11231704 0.67051407 1\n C C11 1 1.18239897 0.81661986 0.46044147 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43507000\n_cell_length_b 3.10562000\n_cell_length_c 6.40087000\n_cell_angle_alpha 89.02737000\n_cell_angle_beta 100.65864000\n_cell_angle_gamma 114.00097000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.36615466\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40796812 0.40604479 0.21297863 1\n C C1 1 0.62490945 0.39280599 0.65769393 1\n C C2 1 0.73473064 1.39334820 0.87967845 1\n C C3 1 0.07063971 0.39835229 0.54648093 1\n C C4 1 -0.03521046 0.40514416 0.32464255 1\n C C5 1 0.29355475 0.39693268 0.99068291 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.34555000\n_cell_length_b 3.76834000\n_cell_length_c 4.14877000\n_cell_angle_alpha 93.93007000\n_cell_angle_beta 84.76055000\n_cell_angle_gamma 61.44762000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.93548955\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22095471 0.26753936 0.77207108 1\n C C1 1 0.54509119 0.27117245 0.77042330 1\n C C2 1 0.16708674 1.02701055 0.52468189 1\n C C3 1 0.84284455 1.02358051 0.52618455 1\n C C4 1 0.60426238 0.49937412 0.00350200 1\n C C5 1 -0.06914008 0.50035886 0.00295320 1\n C C6 1 0.78290919 0.79763994 0.29129753 1\n C C7 1 0.45616473 0.79662460 1.29180676 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26669000\n_cell_length_b 3.63064000\n_cell_length_c 4.23632000\n_cell_angle_alpha 131.51587000\n_cell_angle_beta 84.77385000\n_cell_angle_gamma 104.48595000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.23097295\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54059486 0.85998259 0.16464302 1\n C C1 1 0.80875523 0.29572279 0.21868814 1\n C C2 1 0.95827722 0.10599613 0.79274677 1\n C C3 1 0.59657273 0.74575397 0.43161056 1\n C C4 1 0.16955969 0.65595711 0.57988248 1\n C C5 1 0.22466037 0.54211540 0.84711623 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47902000\n_cell_length_b 7.41063000\n_cell_length_c 7.69003000\n_cell_angle_alpha 103.15490000\n_cell_angle_beta 99.27722000\n_cell_angle_gamma 90.00628000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 135.66807671\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81104177 0.45409212 0.83271767 1\n C C1 1 0.15808079 0.74037984 0.52140089 1\n C C2 1 1.01464774 0.66074928 0.22718600 1\n C C3 1 0.54192373 0.79070109 0.28324520 1\n C C4 1 0.30932680 0.33984729 0.82849563 1\n C C5 1 -0.11498294 0.09981642 0.97470577 1\n C C6 1 0.80569050 0.92983578 0.82139190 1\n C C7 1 0.39051124 0.74401200 -0.00857357 1\n C C8 1 0.47189751 0.90745814 0.15044536 1\n C C9 1 0.04864153 0.18595743 0.30185585 1\n C C10 1 0.09210220 0.56009318 0.38243738 1\n C C11 1 0.57516346 0.26866737 0.35426326 1\n C C12 1 0.61963199 0.46592138 0.43871380 1\n C C13 1 0.36418894 0.19297596 -0.06850119 1\n C C14 1 0.72664980 0.54352455 0.66301769 1\n C C15 1 0.23430458 0.66123318 0.67838456 1\n C C16 1 0.64447862 0.84883789 0.49454322 1\n C C17 1 0.72664817 1.02780636 0.65936986 1\n C C18 1 0.30967573 0.81870732 0.83027294 1\n C C19 1 0.89866024 0.62852526 1.00745518 1\n C C20 1 -0.02830588 0.02370018 0.14984431 1\n C C21 1 0.25233298 0.14444420 0.70943128 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48027000\n_cell_length_b 2.48062000\n_cell_length_c 8.29848000\n_cell_angle_alpha 90.00350000\n_cell_angle_beta 98.58717000\n_cell_angle_gamma 59.97090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.54185558\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16074815 0.12180361 0.98041997 1\n C C1 1 0.65894181 0.87356294 0.72863293 1\n C C2 1 0.86890328 0.76750726 0.04262388 1\n C C3 1 0.53311681 0.93603212 0.53960964 1\n C C4 1 0.70098734 0.35175081 0.29083758 1\n C C5 1 -0.17512379 1.29017937 0.47721435 1\n C C6 1 -0.00683649 0.70572282 0.22903325 1\n C C7 1 0.03413749 0.18599947 0.79135610 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.72446000\n_cell_length_b 4.69727000\n_cell_length_c 6.08911000\n_cell_angle_alpha 114.03015000\n_cell_angle_beta 88.15843000\n_cell_angle_gamma 109.84197000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 90.81851507\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12062571 0.48457159 0.37892416 1\n C C1 1 0.23107959 0.51152014 0.02836990 1\n C C2 1 0.09209562 0.04657091 0.16185032 1\n C C3 1 0.58756945 0.21125209 0.67583973 1\n C C4 1 1.07884800 0.35737764 0.17571010 1\n C C5 1 0.90355300 -0.00127649 0.35414872 1\n C C6 1 0.24426896 0.81758791 0.01689848 1\n C C7 1 0.60087834 0.90043591 0.66200266 1\n C C8 1 0.45381108 0.74869272 0.81130849 1\n C C9 1 0.79948408 0.77262148 0.45835587 1\n C C10 1 0.43840029 0.44147373 0.82185381 1\n C C11 1 0.77850060 0.25990648 0.48419886 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47435000\n_cell_length_b 4.23592000\n_cell_length_c 6.91108000\n_cell_angle_alpha 127.78310000\n_cell_angle_beta 89.99998000\n_cell_angle_gamma 89.99967000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.24880613\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98420608 0.07542031 0.48612195 1\n C C1 1 0.98453718 0.11706566 0.85978549 1\n C C2 1 0.48448465 0.85923879 0.77364327 1\n C C3 1 0.48429873 0.72892045 0.11969200 1\n C C4 1 -0.01551146 0.34236520 0.75343528 1\n C C5 1 -0.01587702 0.63776932 0.38017372 1\n C C6 1 0.48442774 0.60396005 0.85806288 1\n C C7 1 -0.01565092 0.50804937 0.11990005 1\n C C8 1 0.48423352 0.12792467 0.38145790 1\n C C9 1 0.48413610 0.55217979 0.46625965 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.67346000\n_cell_length_b 4.24174000\n_cell_length_c 4.88396000\n_cell_angle_alpha 90.11139000\n_cell_angle_beta 83.14108000\n_cell_angle_gamma 66.74134000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.31553537\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77778586 0.47247139 -0.08332897 1\n C C1 1 0.74256537 0.49222963 0.41128079 1\n C C2 1 0.24874460 0.93489391 0.72934005 1\n C C3 1 0.69233117 0.00891177 0.17964183 1\n C C4 1 0.76094769 0.15576846 0.40936782 1\n C C5 1 0.59819923 0.20407999 0.92232648 1\n C C6 1 0.20525691 0.23036285 0.85811144 1\n C C7 1 0.71141780 0.67223542 0.17784195 1\n C C8 1 0.67653086 0.69191551 0.67261182 1\n C C9 1 0.85555000 0.96053057 0.66692029 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.19751000\n_cell_length_b 4.30225000\n_cell_length_c 3.75715000\n_cell_angle_alpha 64.20271000\n_cell_angle_beta 90.06143000\n_cell_angle_gamma 60.79431000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.31777065\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62386250 0.22168131 0.88113576 1\n C C1 1 0.99549054 0.46389330 1.06432725 1\n C C2 1 0.27515271 0.88750600 0.85185783 1\n C C3 1 0.63862258 0.87621300 0.85736767 1\n C C4 1 0.00916797 0.12027879 1.03713800 1\n C C5 1 0.35881882 0.45246132 0.06926906 1\n C C6 1 0.62443084 0.22044727 0.48681371 1\n C C7 1 0.00959894 0.11930171 0.43277772 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43066000\n_cell_length_b 4.69538000\n_cell_length_c 4.63273000\n_cell_angle_alpha 77.23123000\n_cell_angle_beta 58.68688000\n_cell_angle_gamma 74.53661000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.31734549\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90068664 0.57175877 0.72235218 1\n C C1 1 0.23429822 0.34988313 0.50007649 1\n C C2 1 -0.09931336 0.90509211 1.05568551 1\n C C3 1 0.90068664 0.23842544 0.38901884 1\n C C4 1 0.23429822 0.68321646 0.83340982 1\n C C5 1 0.23429822 1.01654979 0.16674316 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40141000\n_cell_length_b 3.40488000\n_cell_length_c 6.93532000\n_cell_angle_alpha 82.07625000\n_cell_angle_beta 69.20041000\n_cell_angle_gamma 89.53496000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.29676861\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07341079 0.06858489 0.27951853 1\n C C1 1 0.96238037 0.98302649 0.95776476 1\n C C2 1 0.29025535 0.84895505 0.76675292 1\n C C3 1 0.62706898 0.51629861 0.76308713 1\n C C4 1 0.05520183 0.72021574 0.63070013 1\n C C5 1 -0.01562225 0.09336356 0.50320111 1\n C C6 1 0.41503541 0.32882078 0.15982976 1\n C C7 1 0.55330153 0.21891227 0.63087416 1\n C C8 1 0.30700587 0.41582867 0.50333116 1\n C C9 1 0.68001085 0.27399967 -0.04958314 1\n C C10 1 0.55766020 0.54863162 0.27962976 1\n C C11 1 -0.11366443 0.83424624 0.18230632 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46393000\n_cell_length_b 3.79533000\n_cell_length_c 7.35019000\n_cell_angle_alpha 89.10153000\n_cell_angle_beta 80.31314000\n_cell_angle_gamma 71.07251000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.03544852\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20135823 1.02045378 -0.01132729 1\n C C1 1 0.79324234 -0.04669734 0.87179223 1\n C C2 1 1.02520082 0.53543623 0.82753033 1\n C C3 1 0.16180473 0.89914410 0.18849130 1\n C C4 1 0.80744106 0.24035998 0.55297632 1\n C C5 1 0.39036000 0.48193132 0.14612157 1\n C C6 1 -0.01754368 0.41569039 0.02840560 1\n C C7 1 0.37907393 0.18737456 0.46368228 1\n C C8 1 0.66470130 0.32951418 0.75315543 1\n C C9 1 0.52263286 0.10379350 0.26366893 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44923000\n_cell_length_b 4.58273000\n_cell_length_c 8.35038000\n_cell_angle_alpha 99.39987000\n_cell_angle_beta 90.04641000\n_cell_angle_gamma 74.49185000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 89.01038415\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11660885 0.18572303 0.45377042 1\n C C1 1 0.21328588 1.00163345 0.31157921 1\n C C2 1 0.51398100 0.41181906 0.14198620 1\n C C3 1 0.81522394 0.77656718 0.62130179 1\n C C4 1 -0.06095116 0.56200495 0.17252524 1\n C C5 1 0.39002612 0.62651243 0.59004538 1\n C C6 1 0.37718124 0.67099925 0.89618848 1\n C C7 1 0.95271385 0.51976850 0.86656152 1\n C C8 1 0.56488903 0.28584811 0.54402996 1\n C C9 1 0.67365609 0.08390069 0.06533651 1\n C C10 1 0.11699740 0.18724713 0.80515810 1\n C C11 1 0.76469411 0.90193062 0.22035542 1\n C C12 1 1.21244227 0.00258793 0.96054293 1\n C C13 1 0.65598309 0.10463948 0.69987845 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49090000\n_cell_length_b 3.59257000\n_cell_length_c 4.35415000\n_cell_angle_alpha 95.69743000\n_cell_angle_beta 73.39109000\n_cell_angle_gamma 110.31341000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01630329\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78982007 0.69892278 0.35566902 1\n C C1 1 0.70676602 0.32866883 0.14977713 1\n C C2 1 0.89480179 0.32864256 0.77395004 1\n C C3 1 0.26616969 0.06990325 0.77373242 1\n C C4 1 0.07672989 0.06977578 0.14989625 1\n C C5 1 0.18438764 0.69903909 0.56780774 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45279000\n_cell_length_b 4.73427000\n_cell_length_c 6.17415000\n_cell_angle_alpha 95.72187000\n_cell_angle_beta 90.10499000\n_cell_angle_gamma 104.98413000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.88395420\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85689142 0.79833302 0.68462154 1\n C C1 1 0.19304575 0.47548535 0.38257455 1\n C C2 1 0.32956170 0.74793858 0.53847177 1\n C C3 1 0.59665437 0.27871774 0.84237849 1\n C C4 1 0.41708554 0.93181308 0.15953292 1\n C C5 1 0.04531141 0.18346082 0.47905655 1\n C C6 1 0.02973139 0.14599680 0.72229950 1\n C C7 1 0.55974393 0.21707849 0.07281260 1\n C C8 1 0.69344095 0.47890201 0.23341354 1\n C C9 1 0.45745017 0.00816822 0.40342787 1\n C C10 1 0.82061351 0.73916716 0.09742297 1\n C C11 1 0.76319536 0.61284962 0.86760921 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42423000\n_cell_length_b 5.79823000\n_cell_length_c 4.19182000\n_cell_angle_alpha 46.31003000\n_cell_angle_beta 90.00390000\n_cell_angle_gamma 90.00473000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.60524678\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83764272 0.31115597 0.74103294 1\n C C1 1 0.83801854 0.65717892 0.33424516 1\n C C2 1 0.83838423 0.71681420 0.92762421 1\n C C3 1 0.33842054 0.75049373 0.74004834 1\n C C4 1 0.33763942 0.15648635 0.92678234 1\n C C5 1 0.33803195 0.81041533 0.33330500 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47949000\n_cell_length_b 4.42784000\n_cell_length_c 9.64386000\n_cell_angle_alpha 80.09734000\n_cell_angle_beta 97.42354000\n_cell_angle_gamma 89.96943000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 103.39813793\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21700250 0.89695084 0.27827501 1\n C C1 1 0.16977366 0.36647206 0.18017947 1\n C C2 1 0.13200238 0.10285921 0.10696746 1\n C C3 1 0.72217606 0.70266360 0.28828415 1\n C C4 1 0.98479740 0.96977602 0.81669897 1\n C C5 1 1.04580861 0.69368912 0.93457502 1\n C C6 1 0.49883104 0.14366521 0.84360596 1\n C C7 1 0.24860714 0.21727051 0.33484609 1\n C C8 1 0.58621873 0.72505772 0.01421637 1\n C C9 1 0.85318670 0.39608126 0.53961374 1\n C C10 1 0.77766818 0.35707330 0.39057447 1\n C C11 1 0.38387325 0.42991848 0.60408662 1\n C C12 1 0.45590055 0.47479219 0.75466421 1\n C C13 1 0.65780371 0.55068277 0.15796538 1\n C C14 1 -0.02714428 0.63389025 0.79074107 1\n C C15 1 0.59051398 0.06063276 1.02322113 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37907000\n_cell_length_b 2.46014000\n_cell_length_c 5.30330000\n_cell_angle_alpha 90.07889000\n_cell_angle_beta 85.22610000\n_cell_angle_gamma 69.22640000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.05458721\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77627225 0.16788326 -0.01241928 1\n C C1 1 0.74608993 0.68341549 0.11478111 1\n C C2 1 1.03102417 0.53779087 0.58521441 1\n C C3 1 0.48688155 0.30754785 0.51614514 1\n C C4 1 0.67906860 0.71380054 0.39006279 1\n C C5 1 0.84013859 0.13158120 0.71243593 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49144000\n_cell_length_b 8.37268000\n_cell_length_c 6.70729000\n_cell_angle_alpha 120.84534000\n_cell_angle_beta 78.39013000\n_cell_angle_gamma 117.60348000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 106.32956910\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57645448 0.93146676 -0.08198462 1\n C C1 1 -0.06221624 0.80735956 -0.18105083 1\n C C2 1 0.86200717 0.57602880 0.38467862 1\n C C3 1 0.37500284 0.21041789 0.16741488 1\n C C4 1 0.03701801 0.78410572 0.57258522 1\n C C5 1 0.71924798 0.90775621 0.56890357 1\n C C6 1 0.86903798 0.95742501 0.37191663 1\n C C7 1 0.51901871 0.38858391 0.41110935 1\n C C8 1 0.08088836 0.57496270 0.17447318 1\n C C9 1 0.97308735 0.49179707 0.79309365 1\n C C10 1 -0.17982182 0.40992510 0.95556147 1\n C C11 1 0.63706582 0.63953302 0.88129501 1\n C C12 1 0.89029821 0.34697531 0.52647066 1\n C C13 1 0.49100137 0.20563129 0.92620485 1\n C C14 1 -0.14373468 0.07765531 0.81519237 1\n C C15 1 0.57720483 0.73918829 0.14980549 1\n C C16 1 0.55801331 0.08236652 0.37866266 1\n C C17 1 0.69617772 0.09167212 0.15900623 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48102000\n_cell_length_b 3.68913000\n_cell_length_c 4.84380000\n_cell_angle_alpha 68.43223000\n_cell_angle_beta 104.82432000\n_cell_angle_gamma 70.36724000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00212602\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.09234091 0.45287921 0.21230216 1\n C C1 1 0.36659603 0.97940973 0.28753105 1\n C C2 1 0.38253838 0.74074996 0.08112218 1\n C C3 1 0.06833800 0.79629609 0.50956578 1\n C C4 1 1.05247505 0.03501982 0.71607343 1\n C C5 1 0.34378812 0.32247359 0.58514160 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31925000\n_cell_length_b 3.51901000\n_cell_length_c 3.51811000\n_cell_angle_alpha 59.94790000\n_cell_angle_beta 89.99995000\n_cell_angle_gamma 89.99765000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.56905024\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43857980 0.49324402 1.25320097 1\n C C1 1 0.60448622 0.26129419 0.02153345 1\n C C2 1 0.77232974 0.49306327 0.55753228 1\n C C3 1 1.10443990 1.18906362 0.55756063 1\n C C4 1 0.27249960 -0.04272491 0.02126077 1\n C C5 1 0.93865534 0.95744870 0.32539449 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44978000\n_cell_length_b 5.77946000\n_cell_length_c 5.43033000\n_cell_angle_alpha 112.83777000\n_cell_angle_beta 89.96755000\n_cell_angle_gamma 115.08018000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.92668391\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37797213 1.05588785 0.18319399 1\n C C1 1 0.78536142 0.46091851 0.06280864 1\n C C2 1 0.42975103 0.60537068 0.02151995 1\n C C3 1 0.73635673 0.91418412 0.13204304 1\n C C4 1 0.57300351 0.25020348 0.74859450 1\n C C5 1 0.21686300 0.39433100 0.70652805 1\n C C6 1 0.30843589 0.48516643 0.47336960 1\n C C7 1 0.69349103 0.36949902 0.29523953 1\n C C8 1 0.26592455 -0.05885265 0.63841837 1\n C C9 1 0.62358080 0.79901486 0.58542493 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25074000\n_cell_length_b 3.63586000\n_cell_length_c 3.28449000\n_cell_angle_alpha 75.32135000\n_cell_angle_beta 99.16300000\n_cell_angle_gamma 104.51554000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.16400200\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05686284 0.84063909 0.65016483 1\n C C1 1 0.47375051 0.45826626 0.27816147 1\n C C2 1 0.20749386 0.07657128 0.22461936 1\n C C3 1 0.84558952 0.07763791 0.86306128 1\n C C4 1 -0.21036928 0.45908534 0.59622229 1\n C C5 1 0.41791415 0.83936682 1.01204847 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44469000\n_cell_length_b 6.69348000\n_cell_length_c 10.29326000\n_cell_angle_alpha 114.90898000\n_cell_angle_beta 103.92994000\n_cell_angle_gamma 89.93911000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 147.30671030\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04471405 0.87596305 0.88977763 1\n C C1 1 0.88295294 -0.01503464 0.33074643 1\n C C2 1 0.63064155 0.17410060 0.57058669 1\n C C3 1 0.68771467 0.08570389 0.12322930 1\n C C4 1 0.45963728 0.11936065 0.40540094 1\n C C5 1 0.53125310 0.94949550 0.96451315 1\n C C6 1 0.62841250 0.39512124 0.07045786 1\n C C7 1 0.92857313 0.42132532 0.86677870 1\n C C8 1 0.35658954 0.41118650 0.79442927 1\n C C9 1 0.38292414 0.66166801 0.32919734 1\n C C10 1 1.09183265 0.45606169 0.53229930 1\n C C11 1 0.18953061 0.31824044 0.62840285 1\n C C12 1 0.18622276 0.89705159 0.62083504 1\n C C13 1 0.06535707 0.41263290 1.00757193 1\n C C14 1 0.21347116 0.69653286 0.65332887 1\n C C15 1 0.88591336 0.76334535 0.33348405 1\n C C16 1 0.48982310 0.37071390 0.43217521 1\n C C17 1 0.67454911 0.98681500 0.60964690 1\n C C18 1 0.75717382 0.32864907 0.19620905 1\n C C19 1 0.71826885 -0.07198519 0.17065389 1\n C C20 1 0.80274917 0.73749129 0.74178519 1\n C C21 1 1.35578582 0.42189838 0.29517489 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40497000\n_cell_length_b 3.35132000\n_cell_length_c 4.58169000\n_cell_angle_alpha 111.50913000\n_cell_angle_beta 90.86382000\n_cell_angle_gamma 87.92690000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.60941062\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67819941 0.80652334 0.20444936 1\n C C1 1 0.03141684 0.70489074 0.70474398 1\n C C2 1 0.31910638 0.40717789 0.70559098 1\n C C3 1 0.84418228 0.03150336 0.98999332 1\n C C4 1 0.02354505 0.72887213 0.38586790 1\n C C5 1 0.33215036 0.06560192 0.38605007 1\n C C6 1 0.51117047 0.36627963 -0.00981639 1\n C C7 1 0.17836880 0.29455490 0.18052018 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48483000\n_cell_length_b 4.78180000\n_cell_length_c 4.67706000\n_cell_angle_alpha 76.25253000\n_cell_angle_beta 105.41484000\n_cell_angle_gamma 121.33318000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.42545800\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03295204 0.04023804 0.03638002 1\n C C1 1 0.35545704 0.57642265 0.60747031 1\n C C2 1 -0.00106077 0.33427704 0.38078758 1\n C C3 1 1.02334392 0.51497481 1.06600063 1\n C C4 1 0.31952168 0.87034661 0.95015394 1\n C C5 1 0.08172649 0.80240827 0.60922591 1\n C C6 1 0.27198662 0.10852041 0.37828689 1\n C C7 1 0.33227528 0.39594917 0.92204761 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45016000\n_cell_length_b 5.43444000\n_cell_length_c 5.77368000\n_cell_angle_alpha 112.64931000\n_cell_angle_beta 115.10560000\n_cell_angle_gamma 90.03812000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.99622890\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99909297 0.93214473 0.61419750 1\n C C1 1 -0.09082595 0.16451226 0.52272217 1\n C C2 1 0.26552252 0.20619287 0.37843039 1\n C C3 1 0.95579465 1.09513062 1.06917529 1\n C C4 1 0.38310934 0.75434786 0.49874117 1\n C C5 1 0.42955044 0.58860455 0.04322277 1\n C C6 1 0.47506293 0.52088246 0.58937192 1\n C C7 1 0.11973776 0.47827678 0.73369805 1\n C C8 1 0.31181869 0.04422479 0.92748751 1\n C C9 1 1.06916307 0.64191698 0.18506873 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43256000\n_cell_length_b 3.40883000\n_cell_length_c 5.76856000\n_cell_angle_alpha 88.94812000\n_cell_angle_beta 105.48949000\n_cell_angle_gamma 95.70307000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.72211514\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20920086 0.34756263 0.75435070 1\n C C1 1 0.72450330 0.20293526 0.16200617 1\n C C2 1 0.64869449 0.27890306 0.89658401 1\n C C3 1 1.04116735 0.45213518 0.29172158 1\n C C4 1 0.51696722 0.93356499 0.27243569 1\n C C5 1 0.85646717 -0.00063827 0.74946931 1\n C C6 1 0.19689428 0.69218297 0.13855316 1\n C C7 1 0.26392845 0.53488142 0.53187700 1\n C C8 1 -0.01040310 0.62586967 0.88771982 1\n C C9 1 0.56433267 0.83995190 0.52359716 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45488000\n_cell_length_b 3.35336000\n_cell_length_c 8.18640000\n_cell_angle_alpha 84.71128000\n_cell_angle_beta 63.26534000\n_cell_angle_gamma 68.56933000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.81411932\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84237704 0.27151463 0.28866850 1\n C C1 1 0.14877435 0.95540164 0.85667876 1\n C C2 1 0.53606990 0.91270191 0.94643426 1\n C C3 1 0.28605441 0.11268051 0.37926686 1\n C C4 1 1.26419604 -0.13372030 0.14250568 1\n C C5 1 0.01101185 0.07371874 0.57601296 1\n C C6 1 0.70824012 0.70633231 0.23302638 1\n C C7 1 0.39515348 0.03463377 0.66628820 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.17941000\n_cell_length_b 4.66980000\n_cell_length_c 4.30744000\n_cell_angle_alpha 89.74934000\n_cell_angle_beta 104.39783000\n_cell_angle_gamma 110.75195000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.67803179\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57016866 0.56533741 0.51638662 1\n C C1 1 0.25589463 0.56965156 0.20419758 1\n C C2 1 0.25403238 0.88241110 0.19853472 1\n C C3 1 0.70151738 0.33147239 0.65196200 1\n C C4 1 1.01659151 0.32784668 -0.03586074 1\n C C5 1 0.73001112 0.85481354 0.67745510 1\n C C6 1 1.02113692 1.01646606 0.96978061 1\n C C7 1 0.54587211 1.04270966 0.49086862 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46321000\n_cell_length_b 4.14817000\n_cell_length_c 7.79361000\n_cell_angle_alpha 95.71411000\n_cell_angle_beta 98.66926000\n_cell_angle_gamma 91.94903000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.23534163\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05612880 0.33702954 0.29342900 1\n C C1 1 0.32652212 0.59652254 0.04800240 1\n C C2 1 0.52322923 0.47698731 0.77937786 1\n C C3 1 0.89816227 0.83224958 0.05363057 1\n C C4 1 -0.00207081 -0.01459542 0.24453201 1\n C C5 1 0.08067618 0.37299380 0.87883528 1\n C C6 1 0.89920287 0.42530804 0.49800300 1\n C C7 1 0.42887760 0.31397696 0.59108392 1\n C C8 1 0.55233770 0.83394302 0.31805378 1\n C C9 1 0.44250665 0.85672996 0.78407315 1\n C C10 1 0.79687012 0.79574131 0.50750539 1\n C C11 1 0.97827497 -0.00199388 0.88348269 1\n C C12 1 0.35513539 0.94391723 0.59837813 1\n C C13 1 0.43219011 0.49605241 0.22981223 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.65534000\n_cell_length_b 4.25122000\n_cell_length_c 4.90016000\n_cell_angle_alpha 88.61101000\n_cell_angle_beta 102.63172000\n_cell_angle_gamma 103.12426000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 92.12643169\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18827681 0.81971260 1.07639339 1\n C C1 1 0.88775228 0.73617120 0.63777613 1\n C C2 1 0.22003554 0.80795330 0.60461581 1\n C C3 1 0.69251798 -0.01847281 0.00897349 1\n C C4 1 0.13960551 0.29167590 0.33002856 1\n C C5 1 0.37377264 1.00053608 0.88186096 1\n C C6 1 0.30057360 0.33334782 0.86975951 1\n C C7 1 -0.11313816 0.85399965 0.90560665 1\n C C8 1 0.60641617 0.21236070 0.40364540 1\n C C9 1 0.63398697 0.49686219 0.54889079 1\n C C10 1 0.81130724 0.14987909 0.27007906 1\n C C11 1 0.22286124 0.47570587 0.08061989 1\n C C12 1 0.28764097 0.00820685 0.35361725 1\n C C13 1 0.32105763 0.49486626 0.60111312 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49057000\n_cell_length_b 3.93748000\n_cell_length_c 5.94758000\n_cell_angle_alpha 82.30284000\n_cell_angle_beta 102.04949000\n_cell_angle_gamma 89.98953000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.50253220\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82158011 0.80123621 0.83611127 1\n C C1 1 0.48500302 1.03680594 0.16744388 1\n C C2 1 0.69175500 0.96112919 0.56910255 1\n C C3 1 0.30275977 0.29045955 0.79727962 1\n C C4 1 0.58848515 0.73543177 0.36741609 1\n C C5 1 0.84869945 0.43403325 0.88833432 1\n C C6 1 0.08298802 0.50150645 0.35695489 1\n C C7 1 0.97873937 0.27618200 0.15509285 1\n C C8 1 0.18557031 0.19957972 0.55682544 1\n C C9 1 0.36739330 0.94442553 0.92706980 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47901000\n_cell_length_b 4.81252000\n_cell_length_c 6.06810000\n_cell_angle_alpha 80.07545000\n_cell_angle_beta 90.02272000\n_cell_angle_gamma 59.00719000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.78830206\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90756127 0.32557646 0.63029815 1\n C C1 1 0.89886519 0.83257247 0.20505923 1\n C C2 1 0.23580788 0.49663226 0.15656402 1\n C C3 1 0.18835356 0.54574117 0.62630482 1\n C C4 1 0.85952300 0.87430117 0.46556474 1\n C C5 1 0.14283069 0.09042999 0.47356915 1\n C C6 1 -0.01281355 0.24458058 0.89048627 1\n C C7 1 0.21569009 0.01595671 0.11276527 1\n C C8 1 0.93352617 0.29986895 0.23868879 1\n C C9 1 0.27970079 0.45316095 0.90164817 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46661000\n_cell_length_b 3.38408000\n_cell_length_c 6.26772000\n_cell_angle_alpha 113.75304000\n_cell_angle_beta 101.35912000\n_cell_angle_gamma 111.37839000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.80284529\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44811646 0.82285406 0.20197822 1\n C C1 1 0.46199297 0.64974174 0.40247067 1\n C C2 1 0.16264937 0.12705561 0.32671447 1\n C C3 1 0.48611193 0.30251691 0.80227951 1\n C C4 1 0.17665973 0.95399661 0.52730473 1\n C C5 1 0.13302984 0.47240056 0.92708311 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46146000\n_cell_length_b 3.63348000\n_cell_length_c 4.48891000\n_cell_angle_alpha 73.63175000\n_cell_angle_beta 95.34479000\n_cell_angle_gamma 63.42891000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.30867890\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07759387 0.19616777 0.82835493 1\n C C1 1 0.34966137 0.71563163 0.06225110 1\n C C2 1 0.38513771 0.46986987 0.82820724 1\n C C3 1 0.91668612 0.85685408 0.50665319 1\n C C4 1 0.22391304 0.13055072 0.50655457 1\n C C5 1 0.95459238 0.61032173 0.27276267 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48796000\n_cell_length_b 2.48813000\n_cell_length_c 6.57823000\n_cell_angle_alpha 67.76026000\n_cell_angle_beta 79.08570000\n_cell_angle_gamma 59.98321000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.63697379\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30008727 0.12421143 0.72352553 1\n C C1 1 0.63334916 1.12486191 0.05631157 1\n C C2 1 0.63338984 0.37486612 0.80626115 1\n C C3 1 0.96661336 0.37482468 0.13976393 1\n C C4 1 0.29951596 0.37479213 0.47350156 1\n C C5 1 -0.03387758 0.12481004 0.39012357 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47395000\n_cell_length_b 4.23436000\n_cell_length_c 6.91046000\n_cell_angle_alpha 127.79028000\n_cell_angle_beta 89.99748000\n_cell_angle_gamma 90.00012000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.20777961\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96284505 0.50618226 0.96750855 1\n C C1 1 0.46285671 0.59734642 0.70722450 1\n C C2 1 0.46306046 0.11786540 0.22781732 1\n C C3 1 0.46279050 0.15994118 0.60104277 1\n C C4 1 -0.03699220 0.63084581 0.22933870 1\n C C5 1 0.46297667 0.89256874 0.33379059 1\n C C6 1 0.46289763 0.72690799 0.96746030 1\n C C7 1 -0.03694861 0.37585234 0.31413716 1\n C C8 1 0.96274919 0.10731281 0.70566912 1\n C C9 1 0.96286261 0.68296385 0.62102538 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47511000\n_cell_length_b 4.24861000\n_cell_length_c 3.72209000\n_cell_angle_alpha 64.00191000\n_cell_angle_beta 90.00340000\n_cell_angle_gamma 90.00448000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17997190\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65202715 0.98308148 0.44441543 1\n C C1 1 0.15197987 0.48217060 0.89936558 1\n C C2 1 0.65204074 0.70520860 0.87902051 1\n C C3 1 0.65203617 0.70503610 0.28785309 1\n C C4 1 0.15199345 0.20429772 0.33397066 1\n C C5 1 0.15198444 0.48234310 0.49053301 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47878000\n_cell_length_b 4.28893000\n_cell_length_c 6.78070000\n_cell_angle_alpha 102.16479000\n_cell_angle_beta 111.40342000\n_cell_angle_gamma 90.01681000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.37268061\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62412477 0.19227982 0.60265710 1\n C C1 1 1.03838307 0.66389189 1.01698413 1\n C C2 1 0.70745742 0.88721221 0.68618071 1\n C C3 1 0.78892946 0.24625934 0.26776052 1\n C C4 1 0.12392248 0.69228475 0.60263310 1\n C C5 1 0.45496410 0.46980632 0.93355877 1\n C C6 1 0.87294065 0.60763673 0.35177223 1\n C C7 1 0.20768012 0.38722690 0.68617507 1\n C C8 1 0.53827514 0.16388227 0.01697257 1\n C C9 1 -0.04514311 0.96979016 0.93355895 1\n C C10 1 0.28911680 0.74627165 0.26775980 1\n C C11 1 0.37281550 0.10763787 0.35179065 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67798000\n_cell_length_b 3.49050000\n_cell_length_c 4.67545000\n_cell_angle_alpha 103.11253000\n_cell_angle_beta 126.24326000\n_cell_angle_gamma 108.76172000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.83993699\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52351992 0.98983614 0.39582532 1\n C C1 1 -0.10510772 0.10220760 0.81763759 1\n C C2 1 0.36152337 0.48955488 0.73375197 1\n C C3 1 0.18365977 0.96922247 0.39135507 1\n C C4 1 0.34565632 0.46950373 0.05342842 1\n C C5 1 0.05211723 0.60181141 0.47468468 1\n C C6 1 0.81228741 0.85685101 -0.03045720 1\n C C7 1 0.65506246 0.35724720 0.31249571 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48140000\n_cell_length_b 3.68935000\n_cell_length_c 4.21684000\n_cell_angle_alpha 75.17926000\n_cell_angle_beta 90.02534000\n_cell_angle_gamma 70.35258000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98822587\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19690297 0.37768856 0.66574042 1\n C C1 1 0.94092886 0.89358654 0.09445094 1\n C C2 1 0.39427460 0.98008755 0.59034431 1\n C C3 1 0.51917662 0.73690616 0.96362561 1\n C C4 1 -0.02727581 0.82319263 0.45951761 1\n C C5 1 0.71623307 0.33915247 0.88813931 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48742000\n_cell_length_b 4.30377000\n_cell_length_c 6.57870000\n_cell_angle_alpha 77.39190000\n_cell_angle_beta 79.09209000\n_cell_angle_gamma 73.19495000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.19111022\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16336092 0.32464461 0.13240196 1\n C C1 1 0.66321308 0.44976782 1.00747833 1\n C C2 1 0.49580780 0.82506468 0.96506264 1\n C C3 1 -0.00446161 0.95017052 0.84015986 1\n C C4 1 0.82952856 0.82476969 0.29855972 1\n C C5 1 0.32966740 0.94977416 0.17362033 1\n C C6 1 0.82924908 0.32507755 0.79857920 1\n C C7 1 -0.00383198 0.44991093 0.34021529 1\n C C8 1 0.16191741 -0.17505426 0.63234698 1\n C C9 1 0.66202905 -0.05014997 0.50742320 1\n C C10 1 0.32914967 0.45009941 0.67363935 1\n C C11 1 0.49594203 0.32504287 0.46511705 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28114000\n_cell_length_b 3.52732000\n_cell_length_c 5.84729000\n_cell_angle_alpha 124.42118000\n_cell_angle_beta 97.30904000\n_cell_angle_gamma 115.56121000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.65143931\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93749080 -0.07845562 0.17659108 1\n C C1 1 0.53445582 0.32838723 0.98646810 1\n C C2 1 0.49730836 -0.01792175 0.67788805 1\n C C3 1 0.88096233 0.36610352 0.67869727 1\n C C4 1 0.09446518 0.38887505 0.48780150 1\n C C5 1 0.15130701 0.94428358 -0.01419360 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51653000\n_cell_length_b 4.87176000\n_cell_length_c 8.21467000\n_cell_angle_alpha 129.41202000\n_cell_angle_beta 107.92710000\n_cell_angle_gamma 90.01259000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.36163530\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71451043 0.42391760 0.64861221 1\n C C1 1 0.52740238 -0.15084783 -0.03890398 1\n C C2 1 0.37237212 0.77452730 0.30855684 1\n C C3 1 0.83853021 0.28863090 0.77299184 1\n C C4 1 0.49819574 0.48369823 0.93261344 1\n C C5 1 0.69680988 0.20554784 0.13390786 1\n C C6 1 0.11960744 0.70061286 0.55487437 1\n C C7 1 0.91189095 0.28634056 0.34885204 1\n C C8 1 0.45433863 0.15825020 0.39104776 1\n C C9 1 -0.38277986 0.86620588 0.55241919 1\n C C10 1 0.72286091 0.54561710 0.15922840 1\n C C11 1 0.28871757 0.65260986 0.72196632 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48815000\n_cell_length_b 4.30449000\n_cell_length_c 4.30596000\n_cell_angle_alpha 80.39374000\n_cell_angle_beta 106.78386000\n_cell_angle_gamma 89.99309000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47702127\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34177925 0.23739670 1.11561797 1\n C C1 1 0.09182387 0.98715575 0.61560919 1\n C C2 1 -0.22075000 0.42524281 0.99045190 1\n C C3 1 0.52934209 0.17503649 0.49044982 1\n C C4 1 0.84167069 0.73735678 0.11564001 1\n C C5 1 0.27918892 0.92523752 0.99048064 1\n C C6 1 1.02923354 0.67499657 0.49047185 1\n C C7 1 0.59176278 0.48715046 0.61563793 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43060000\n_cell_length_b 4.38494000\n_cell_length_c 4.29541000\n_cell_angle_alpha 84.75497000\n_cell_angle_beta 91.51927000\n_cell_angle_gamma 72.26064000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34990463\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.15793464 0.83051290 0.75336426 1\n C C1 1 0.49090344 0.16415653 1.08637254 1\n C C2 1 0.93654580 0.27520764 0.19816922 1\n C C3 1 0.60357655 0.94150156 -0.13482969 1\n C C4 1 0.26989461 0.60862352 0.53142812 1\n C C5 1 0.82425355 0.49758776 0.41966216 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68562000\n_cell_length_b 3.68378000\n_cell_length_c 4.70666000\n_cell_angle_alpha 75.24622000\n_cell_angle_beta 104.74589000\n_cell_angle_gamma 127.34841000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.70729087\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83001520 0.34615151 0.60521987 1\n C C1 1 0.64633910 0.96381675 0.86826968 1\n C C2 1 0.70058810 0.21643450 0.10527808 1\n C C3 1 0.26464813 0.91115521 0.23383493 1\n C C4 1 0.88291815 0.72735845 -0.02899094 1\n C C5 1 0.13586214 0.78207374 0.73391035 1\n C C6 1 0.31926296 0.16395961 0.47107895 1\n C C7 1 0.08272913 0.40046003 0.36833797 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.72791000\n_cell_length_b 4.30139000\n_cell_length_c 3.72822000\n_cell_angle_alpha 54.70106000\n_cell_angle_beta 70.51794000\n_cell_angle_gamma 54.70841000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.82477201\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57777290 0.41568262 0.01273039 1\n C C1 1 0.07768830 -0.08434386 0.51266136 1\n C C2 1 0.32805686 0.41539382 0.76287200 1\n C C3 1 0.32740435 0.91594494 0.76251975 1\n C C4 1 0.07770396 0.16571467 1.01270536 1\n C C5 1 0.57775725 0.16562409 0.51268639 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06937000\n_cell_length_b 3.63631000\n_cell_length_c 4.48127000\n_cell_angle_alpha 100.20948000\n_cell_angle_beta 76.95326000\n_cell_angle_gamma 70.12290000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.02597774\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84033507 0.19474895 0.46464701 1\n C C1 1 0.64921397 0.59721043 0.65368980 1\n C C2 1 0.34999328 0.24955163 -0.03522222 1\n C C3 1 0.15749166 1.03446497 0.15585408 1\n C C4 1 0.64773723 0.97951418 0.65560401 1\n C C5 1 0.34805050 0.63204003 0.96686942 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48359000\n_cell_length_b 3.82352000\n_cell_length_c 5.22842000\n_cell_angle_alpha 99.00859000\n_cell_angle_beta 89.98574000\n_cell_angle_gamma 108.94310000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31312639\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35920347 0.40268394 0.28934818 1\n C C1 1 0.72966298 0.14768466 0.61635052 1\n C C2 1 0.39474813 0.47585287 1.00992030 1\n C C3 1 0.78431903 0.25359308 0.90308204 1\n C C4 1 0.11927593 -0.07471269 0.50950763 1\n C C5 1 0.61021171 0.90422443 1.06527566 1\n C C6 1 0.15628522 0.99866039 0.23009901 1\n C C7 1 0.90520183 0.49708442 0.45414916 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53537000\n_cell_length_b 5.25786000\n_cell_length_c 5.25470000\n_cell_angle_alpha 47.83421000\n_cell_angle_beta 77.18705000\n_cell_angle_gamma 77.09802000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.35835039\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68724373 0.10591395 0.36748123 1\n C C1 1 0.53160316 0.61317592 0.18001082 1\n C C2 1 0.68728326 0.47816383 0.99516018 1\n C C3 1 0.25518480 0.53607916 0.78985979 1\n C C4 1 0.39746844 0.23576872 0.80188786 1\n C C5 1 0.39798004 0.91197341 0.12586309 1\n C C6 1 0.25535270 0.90054229 0.42554675 1\n C C7 1 0.53150007 0.29053851 0.50261378 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46928000\n_cell_length_b 3.58800000\n_cell_length_c 10.27644000\n_cell_angle_alpha 114.95318000\n_cell_angle_beta 83.04925000\n_cell_angle_gamma 110.16529000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.45606548\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64315720 0.87263015 0.94303176 1\n C C1 1 0.95318047 0.29778257 0.75521924 1\n C C2 1 0.64156834 1.02685281 0.10131375 1\n C C3 1 0.84929692 0.53826450 0.20732446 1\n C C4 1 0.44715114 0.38284313 0.85157472 1\n C C5 1 0.76985234 0.67246522 0.50646540 1\n C C6 1 0.23685227 0.00156490 0.88533383 1\n C C7 1 0.27598073 0.61331405 0.43539660 1\n C C8 1 0.15952477 0.67858556 0.72128341 1\n C C9 1 0.27380842 0.45807935 0.27921214 1\n C C10 1 0.06262285 0.93902682 0.17152251 1\n C C11 1 0.75379535 -0.19330095 0.66345749 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44626000\n_cell_length_b 3.37278000\n_cell_length_c 7.51425000\n_cell_angle_alpha 101.52547000\n_cell_angle_beta 90.03984000\n_cell_angle_gamma 110.99688000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.53666748\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38295614 0.02681432 0.36332268 1\n C C1 1 0.73711219 0.73519306 0.08156214 1\n C C2 1 0.44898702 0.16034381 0.56112081 1\n C C3 1 1.12050095 0.49713804 0.79363602 1\n C C4 1 0.19044747 0.64148407 -0.00941295 1\n C C5 1 -0.11166899 0.03780280 0.65381203 1\n C C6 1 0.83584236 0.93351580 0.27160438 1\n C C7 1 0.67991046 0.61716961 0.70079509 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43711000\n_cell_length_b 5.26976000\n_cell_length_c 5.27192000\n_cell_angle_alpha 74.87658000\n_cell_angle_beta 95.91867000\n_cell_angle_gamma 84.07880000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.41462160\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60291216 0.18961659 0.23037837 1\n C C1 1 0.80653046 0.20332605 0.63881879 1\n C C2 1 0.07596794 0.81604133 0.11309194 1\n C C3 1 1.07023382 0.65301284 0.61233848 1\n C C4 1 0.10783791 0.07200911 0.19476392 1\n C C5 1 0.64186584 0.39910314 0.37388347 1\n C C6 1 0.53473085 0.83199210 0.94060171 1\n C C7 1 0.57525447 0.68870681 0.72968821 1\n C C8 1 0.36832680 0.09630803 0.74480342 1\n C C9 1 1.10053564 0.57200088 0.35644569 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06387000\n_cell_length_b 4.38535000\n_cell_length_c 4.66029000\n_cell_angle_alpha 72.43710000\n_cell_angle_beta 94.13629000\n_cell_angle_gamma 104.50809000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.79351287\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79140901 0.78257406 0.75282944 1\n C C1 1 0.66097298 0.65043520 0.52097487 1\n C C2 1 0.82124369 0.81154487 0.22972310 1\n C C3 1 0.34491261 0.33286513 0.20551763 1\n C C4 1 1.10487591 1.09683957 0.75850072 1\n C C5 1 0.34986950 0.33627029 0.51540406 1\n C C6 1 0.10970428 0.10101826 0.06737088 1\n C C7 1 0.63547032 0.62155841 0.04460470 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68914000\n_cell_length_b 2.48122000\n_cell_length_c 4.84285000\n_cell_angle_alpha 104.80351000\n_cell_angle_beta 122.62855000\n_cell_angle_gamma 70.33520000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00246387\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15179013 1.10751386 0.22355446 1\n C C1 1 0.56944957 0.64722010 0.72754399 1\n C C2 1 0.43953616 0.52906136 0.35447915 1\n C C3 1 0.85702213 1.06889185 0.85840675 1\n C C4 1 -0.08691579 0.32906189 0.43003145 1\n C C5 1 0.09569160 -0.15140726 0.65170251 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48213000\n_cell_length_b 3.68813000\n_cell_length_c 4.22343000\n_cell_angle_alpha 74.97205000\n_cell_angle_beta 90.03535000\n_cell_angle_gamma 70.33251000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99779117\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06589536 0.13421748 0.76481471 1\n C C1 1 0.03576164 0.20042116 0.39998991 1\n C C2 1 0.28947968 0.68783322 0.97160730 1\n C C3 1 0.81037083 0.64675415 0.19313616 1\n C C4 1 0.61435007 0.04339197 0.26969023 1\n C C5 1 0.48752462 0.29117222 0.89516919 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43931000\n_cell_length_b 4.18257000\n_cell_length_c 6.49594000\n_cell_angle_alpha 104.94883000\n_cell_angle_beta 79.27722000\n_cell_angle_gamma 90.05343000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.83695466\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33138816 0.53013519 0.98799602 1\n C C1 1 0.65194831 0.60389300 0.33493604 1\n C C2 1 0.20672724 0.60749424 0.22859273 1\n C C3 1 0.35565931 0.16916938 0.95054557 1\n C C4 1 -0.13762456 0.00772814 -0.06159360 1\n C C5 1 0.99124969 0.57192336 0.65689176 1\n C C6 1 0.54533651 0.57584223 0.55016483 1\n C C7 1 0.87673634 0.64560486 0.89696016 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48093000\n_cell_length_b 3.80209000\n_cell_length_c 5.99105000\n_cell_angle_alpha 89.71988000\n_cell_angle_beta 101.94420000\n_cell_angle_gamma 89.84016000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.28730997\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72625747 0.87823197 0.73181073 1\n C C1 1 0.72636976 0.46693363 0.73127222 1\n C C2 1 1.06453480 0.17504499 0.40600246 1\n C C3 1 -0.18506485 0.17157686 0.90784950 1\n C C4 1 0.49693170 0.17468004 0.26988632 1\n C C5 1 0.15124611 0.87948925 0.58133914 1\n C C6 1 0.15134769 0.46836479 0.58086348 1\n C C7 1 0.38365602 0.17206018 1.04422975 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42969000\n_cell_length_b 5.31847000\n_cell_length_c 5.40878000\n_cell_angle_alpha 77.87387000\n_cell_angle_beta 91.91425000\n_cell_angle_gamma 89.81857000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.29217742\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18164787 0.82937895 0.91124748 1\n C C1 1 0.16775811 0.10137571 0.77056776 1\n C C2 1 0.20702008 0.38439103 0.25803646 1\n C C3 1 0.70537409 -0.00508135 0.23636366 1\n C C4 1 0.66326277 0.50419839 0.72672546 1\n C C5 1 0.20863723 0.11322909 0.27236346 1\n C C6 1 0.66561652 0.23385381 0.73939499 1\n C C7 1 0.16717594 0.62160063 0.76369006 1\n C C8 1 0.70539046 0.51634154 0.22691180 1\n C C9 1 0.69568734 0.78922089 0.08705726 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43993000\n_cell_length_b 6.02754000\n_cell_length_c 6.26647000\n_cell_angle_alpha 65.99638000\n_cell_angle_beta 101.24086000\n_cell_angle_gamma 78.30536000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.37827916\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52866469 0.69918649 0.31043955 1\n C C1 1 0.52405352 0.17688787 0.77482861 1\n C C2 1 0.33820401 1.11987536 0.34669979 1\n C C3 1 0.71619813 0.60095250 0.58827795 1\n C C4 1 0.28040250 0.75369684 0.86819810 1\n C C5 1 0.93197673 0.30915750 0.72346003 1\n C C6 1 0.92534673 0.78529657 0.18732595 1\n C C7 1 -0.05884335 -0.00391744 0.42938339 1\n C C8 1 0.11777786 0.36376757 0.15064557 1\n C C9 1 0.73490395 0.88451426 0.90930534 1\n C C10 1 0.51519630 0.48787718 1.06868804 1\n C C11 1 0.17281103 0.73089250 0.63031129 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47379000\n_cell_length_b 4.22734000\n_cell_length_c 7.88346000\n_cell_angle_alpha 90.63647000\n_cell_angle_beta 100.67481000\n_cell_angle_gamma 95.02396000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.67227586\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72129604 0.81357130 0.23421416 1\n C C1 1 0.62083632 0.66934056 0.05637841 1\n C C2 1 0.04007835 0.29077109 0.94727927 1\n C C3 1 1.04375003 0.30857104 0.62215991 1\n C C4 1 0.27710826 0.68597700 0.33029732 1\n C C5 1 -0.08837468 0.78578667 0.76876414 1\n C C6 1 0.04966472 0.65538296 0.94419859 1\n C C7 1 0.28600747 0.66375109 0.66066232 1\n C C8 1 0.61156602 0.30268113 1.06154254 1\n C C9 1 0.42411707 0.19086503 0.51408952 1\n C C10 1 0.28911030 0.31507415 0.33248732 1\n C C11 1 0.34402647 0.83805564 0.50290916 1\n C C12 1 0.98551641 0.13129957 0.78102934 1\n C C13 1 0.72277762 0.17931857 0.23895300 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.11257000\n_cell_length_b 3.39861000\n_cell_length_c 3.39979000\n_cell_angle_alpha 86.14028000\n_cell_angle_beta 101.47142000\n_cell_angle_gamma 78.54238000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.35851967\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66740315 0.57035290 0.25990942 1\n C C1 1 0.66498207 0.92509988 0.90523188 1\n C C2 1 0.00547991 0.33873001 0.49110554 1\n C C3 1 1.21941569 1.11830019 0.23191048 1\n C C4 1 1.00984005 0.98015942 0.84988108 1\n C C5 1 0.45437460 0.79057446 0.52152159 1\n C C6 1 0.45427833 0.30881316 1.03955386 1\n C C7 1 0.21940362 0.59803938 0.71158346 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45682000\n_cell_length_b 3.66278000\n_cell_length_c 6.46046000\n_cell_angle_alpha 98.51168000\n_cell_angle_beta 79.06764000\n_cell_angle_gamma 70.43073000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.35926309\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24905206 0.54878512 0.98915077 1\n C C1 1 0.07221181 0.95054739 -0.06001100 1\n C C2 1 0.67666484 0.06807403 0.61545202 1\n C C3 1 -0.16162303 0.17512472 0.18541885 1\n C C4 1 0.66240358 0.57587298 0.13557427 1\n C C5 1 0.53576975 0.11233145 0.85262855 1\n C C6 1 0.23636147 0.05305280 0.50915447 1\n C C7 1 0.37602062 0.01192151 0.27226168 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.90642000\n_cell_length_b 4.28799000\n_cell_length_c 6.76558000\n_cell_angle_alpha 74.89464000\n_cell_angle_beta 104.31708000\n_cell_angle_gamma 64.81930000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.31290279\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04412048 0.72142414 0.93843583 1\n C C1 1 0.34533824 0.33586408 0.97659036 1\n C C2 1 0.51711272 0.72672393 0.19598025 1\n C C3 1 0.36818165 0.30839595 0.49639716 1\n C C4 1 0.82658751 0.53291581 0.10188936 1\n C C5 1 0.13397105 0.64784444 0.55130770 1\n C C6 1 0.51931122 0.06279206 0.22148096 1\n C C7 1 0.52354243 0.62527793 0.70759665 1\n C C8 1 0.52578255 0.96128760 0.73318008 1\n C C9 1 0.67494808 0.37938106 0.43258597 1\n C C10 1 0.90910191 0.04023392 0.37745478 1\n C C11 1 0.86423657 0.47615398 0.62019229 1\n C C12 1 0.17879500 0.21178966 0.30894674 1\n C C13 1 0.21611023 0.15546644 -0.17293247 1\n C C14 1 0.69713065 0.35246576 -0.04738808 1\n C C15 1 1.08657967 -0.03298566 0.99049412 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46811000\n_cell_length_b 3.37326000\n_cell_length_c 6.13581000\n_cell_angle_alpha 58.20223000\n_cell_angle_beta 78.33418000\n_cell_angle_gamma 68.46359000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.38342486\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24364435 0.21080866 0.07891140 1\n C C1 1 0.63808498 0.09259215 0.40717750 1\n C C2 1 0.68139462 0.73862420 0.68119702 1\n C C3 1 0.05086051 0.39117138 0.28239247 1\n C C4 1 -0.16949669 0.91242177 0.20356059 1\n C C5 1 0.20658333 0.56315085 0.80466621 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.84119000\n_cell_length_b 2.48288000\n_cell_length_c 3.74720000\n_cell_angle_alpha 89.98905000\n_cell_angle_beta 89.90418000\n_cell_angle_gamma 89.99750000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.73779699\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19905858 0.16129762 0.36392044 1\n C C1 1 0.90371971 0.66126396 0.86809049 1\n C C2 1 0.90460722 0.16126824 0.09675510 1\n C C3 1 0.60995208 0.16174101 0.36493533 1\n C C4 1 0.19807316 0.66112483 0.59979772 1\n C C5 1 0.60899054 0.66158284 0.60102573 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47722000\n_cell_length_b 4.92751000\n_cell_length_c 5.94331000\n_cell_angle_alpha 65.49194000\n_cell_angle_beta 77.93905000\n_cell_angle_gamma 59.80308000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.05332263\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35927756 0.39420998 0.56423672 1\n C C1 1 0.22397549 0.40104860 0.82052391 1\n C C2 1 0.20805924 0.91229889 0.83033665 1\n C C3 1 0.55105539 0.01299813 -0.05772381 1\n C C4 1 0.55058287 0.39097853 0.18636179 1\n C C5 1 0.54991446 0.87138667 0.22708514 1\n C C6 1 0.22360107 0.65705431 0.30819965 1\n C C7 1 0.20736791 1.17840807 0.29800482 1\n C C8 1 1.07399585 0.17946195 0.56416532 1\n C C9 1 0.55004207 0.53447858 0.90136881 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31806000\n_cell_length_b 3.51938000\n_cell_length_c 3.51662000\n_cell_angle_alpha 59.92765000\n_cell_angle_beta 90.00965000\n_cell_angle_gamma 90.00257000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53770523\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13430597 0.14703563 1.07036344 1\n C C1 1 0.29958791 0.68347665 0.30133059 1\n C C2 1 0.63431711 0.68420589 0.99673127 1\n C C3 1 -0.03275880 0.37901838 0.30212628 1\n C C4 1 0.79959120 0.14781557 0.76557000 1\n C C5 1 0.46723341 0.45235838 0.76476922 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30297000\n_cell_length_b 4.18740000\n_cell_length_c 7.08995000\n_cell_angle_alpha 89.77163000\n_cell_angle_beta 56.92771000\n_cell_angle_gamma 78.23609000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 79.75602289\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26710546 0.22827873 0.40846740 1\n C C1 1 0.72659256 0.69305729 -0.04024569 1\n C C2 1 0.04404159 0.11645565 0.29525150 1\n C C3 1 0.52211618 0.66547335 0.52124550 1\n C C4 1 0.41263702 0.24591571 0.70078019 1\n C C5 1 0.66743489 0.42792234 0.31060086 1\n C C6 1 0.85585245 0.47624639 0.07557438 1\n C C7 1 1.03631238 0.55909052 0.71625988 1\n C C8 1 0.55883630 1.01022516 0.49011787 1\n C C9 1 0.22562283 0.19409232 0.93543643 1\n C C10 1 0.81432378 0.44528161 0.60254028 1\n C C11 1 0.35301914 0.97768461 0.05221559 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48432000\n_cell_length_b 6.56008000\n_cell_length_c 4.67886000\n_cell_angle_alpha 141.79385000\n_cell_angle_beta 105.41177000\n_cell_angle_gamma 79.06700000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44250615\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79439970 0.05918730 0.25701174 1\n C C1 1 0.40838359 0.59118908 0.01810232 1\n C C2 1 0.12243036 0.35323679 0.20736546 1\n C C3 1 0.63594882 0.87888404 0.76224605 1\n C C4 1 0.29336415 0.28499912 0.48062263 1\n C C5 1 0.57936919 0.52317741 0.29170452 1\n C C6 1 -0.09297214 0.81696981 0.24145189 1\n C C7 1 1.06331134 -0.00243294 0.73629970 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38570000\n_cell_length_b 4.66261000\n_cell_length_c 4.67581000\n_cell_angle_alpha 103.64927000\n_cell_angle_beta 76.92289000\n_cell_angle_gamma 62.51393000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.62567672\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39186689 0.40691464 0.38547060 1\n C C1 1 0.39380295 0.09044456 0.70177445 1\n C C2 1 0.38873618 0.85378991 0.14937889 1\n C C3 1 0.39103295 0.54237173 0.15422936 1\n C C4 1 0.39427593 0.09559803 0.39028561 1\n C C5 1 0.39358284 0.37989235 0.86255150 1\n C C6 1 0.38944010 0.56938744 0.67714130 1\n C C7 1 0.38962597 0.85868634 0.83770238 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.26243000\n_cell_length_b 3.40786000\n_cell_length_c 4.66519000\n_cell_angle_alpha 74.44216000\n_cell_angle_beta 83.74166000\n_cell_angle_gamma 59.67017000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.31902838\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56576491 0.81520781 0.39293842 1\n C C1 1 0.48727605 0.17483002 0.10988122 1\n C C2 1 0.74837528 0.37264260 1.04158643 1\n C C3 1 0.30481326 0.61716889 0.46164378 1\n C C4 1 0.58228197 0.06791262 0.60355526 1\n C C5 1 0.16230988 0.57139979 0.18500580 1\n C C6 1 0.47103320 -0.07801554 0.89919309 1\n C C7 1 0.89080894 0.41877672 0.31780405 1\n C C8 1 0.07633642 0.99965312 0.90628467 1\n C C9 1 -0.02309350 0.99020866 0.59681077 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48105000\n_cell_length_b 3.68889000\n_cell_length_c 4.21623000\n_cell_angle_alpha 104.81132000\n_cell_angle_beta 90.07225000\n_cell_angle_gamma 70.37219000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98640973\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56866692 0.55323268 0.33672294 1\n C C1 1 0.82942984 0.03719043 0.76515610 1\n C C2 1 0.02915988 0.63955768 0.84086803 1\n C C3 1 0.60794960 0.48218120 0.97151238 1\n C C4 1 0.14685622 0.39700283 0.46786873 1\n C C5 1 0.34916913 -0.00148682 0.54276002 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48528000\n_cell_length_b 4.68058000\n_cell_length_c 7.44424000\n_cell_angle_alpha 141.39321000\n_cell_angle_beta 120.06661000\n_cell_angle_gamma 74.59600000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.47429839\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01457451 0.56760352 -0.11611190 1\n C C1 1 0.74702974 0.83989868 0.81524482 1\n C C2 1 0.71221962 0.79177302 0.10974415 1\n C C3 1 0.04420434 0.31149511 0.17090751 1\n C C4 1 0.79536380 1.02983491 0.57778082 1\n C C5 1 -0.26509136 0.28598214 0.28954903 1\n C C6 1 0.06787760 0.80641321 0.35182676 1\n C C7 1 1.03451067 0.75625391 0.64552331 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46281000\n_cell_length_b 5.08260000\n_cell_length_c 7.02607000\n_cell_angle_alpha 105.86994000\n_cell_angle_beta 100.09509000\n_cell_angle_gamma 90.01807000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.17863695\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54475738 0.61973776 0.30038506 1\n C C1 1 0.69157505 0.29691127 0.59882289 1\n C C2 1 0.14086009 0.23618845 0.50012066 1\n C C3 1 -0.04748198 0.90138571 0.11573981 1\n C C4 1 0.35374655 0.48309087 0.91866567 1\n C C5 1 0.20641528 0.78299164 0.62170402 1\n C C6 1 0.86195766 0.02778854 0.93541259 1\n C C7 1 0.79206937 0.49984460 0.79648930 1\n C C8 1 0.76554428 -0.20627605 0.73971822 1\n C C9 1 1.10643230 0.69739849 0.42193489 1\n C C10 1 0.03211369 0.17479864 0.27690272 1\n C C11 1 0.45136230 0.73036188 0.11325740 1\n C C12 1 0.38443531 0.21297862 -0.01720568 1\n C C13 1 0.50094151 0.30492437 0.21478143 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.80424000\n_cell_length_b 4.04091000\n_cell_length_c 4.82420000\n_cell_angle_alpha 98.30683000\n_cell_angle_beta 73.67103000\n_cell_angle_gamma 61.05518000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.27071260\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44406148 0.36415110 0.20160048 1\n C C1 1 0.38343079 0.42089385 0.70106893 1\n C C2 1 0.00195342 0.80283004 0.70184185 1\n C C3 1 0.04286717 0.76810534 0.39172417 1\n C C4 1 0.66122343 0.14983972 0.39244508 1\n C C5 1 0.60070521 0.20696126 0.89203939 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43154000\n_cell_length_b 5.83747000\n_cell_length_c 4.67572000\n_cell_angle_alpha 65.61239000\n_cell_angle_beta 75.98893000\n_cell_angle_gamma 91.52528000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.04242543\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37086844 0.74719474 0.38612275 1\n C C1 1 0.70440670 0.08090989 0.71934335 1\n C C2 1 0.87083609 0.24724981 0.38614500 1\n C C3 1 0.62072777 0.49729149 -0.11366023 1\n C C4 1 0.20436862 0.58109123 0.71940592 1\n C C5 1 -0.04568813 -0.16916557 0.21950791 1\n C C6 1 0.12079997 0.99699349 0.88621904 1\n C C7 1 0.45431214 0.33106451 0.21957705 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.29110000\n_cell_length_b 4.60696000\n_cell_length_c 4.20345000\n_cell_angle_alpha 86.28748000\n_cell_angle_beta 59.71928000\n_cell_angle_gamma 78.81831000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.34453655\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10632084 0.80890904 0.23343655 1\n C C1 1 0.23629281 0.85935539 0.88986528 1\n C C2 1 0.61682316 0.39430999 0.77093588 1\n C C3 1 0.60245526 0.74157191 0.22889576 1\n C C4 1 -0.09729975 0.84242286 0.57733551 1\n C C5 1 0.59316331 0.70919709 0.88497919 1\n C C6 1 0.33045061 0.38973342 0.69527790 1\n C C7 1 0.25975151 0.69096394 0.57240068 1\n C C8 1 0.87925793 0.15653299 0.69164489 1\n C C9 1 1.16565770 0.16095527 0.76714884 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45671000\n_cell_length_b 3.96553000\n_cell_length_c 6.97637000\n_cell_angle_alpha 87.07296000\n_cell_angle_beta 100.10550000\n_cell_angle_gamma 89.98052000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.82022633\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00150849 0.79026881 0.92380280 1\n C C1 1 0.71890944 0.82684926 0.35962519 1\n C C2 1 0.34734271 0.47930020 0.61277230 1\n C C3 1 0.82529451 0.67066329 0.57041461 1\n C C4 1 0.54372997 0.70409720 1.00815609 1\n C C5 1 0.15465778 0.32760826 0.23437488 1\n C C6 1 0.90260157 0.97425467 0.72945207 1\n C C7 1 0.38686837 0.17047751 0.69798341 1\n C C8 1 0.19884277 0.01835368 0.31802156 1\n C C9 1 0.63912009 0.52353924 0.20317679 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.70229000\n_cell_length_b 4.19369000\n_cell_length_c 5.21984000\n_cell_angle_alpha 66.17583000\n_cell_angle_beta 53.05761000\n_cell_angle_gamma 89.73206000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.89232469\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77789950 0.93326156 0.32599463 1\n C C1 1 0.77789713 0.26541667 0.32596431 1\n C C2 1 0.44456380 0.59875000 0.65929764 1\n C C3 1 0.44456617 0.26659490 0.65932796 1\n C C4 1 0.11123046 0.93208334 -0.00736903 1\n C C5 1 0.11123284 0.59992823 0.99266129 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42354000\n_cell_length_b 4.19209000\n_cell_length_c 4.20473000\n_cell_angle_alpha 88.19998000\n_cell_angle_beta 90.20398000\n_cell_angle_gamma 89.61396000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.69643334\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31302250 0.21231419 0.51993935 1\n C C1 1 0.31390583 0.61856508 0.92787984 1\n C C2 1 0.81361801 0.05765563 0.48778550 1\n C C3 1 0.31465066 0.55921079 0.58099910 1\n C C4 1 0.81293970 0.71025065 0.42913262 1\n C C5 1 0.81420851 0.64776806 0.08280629 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45697000\n_cell_length_b 4.43156000\n_cell_length_c 7.10882000\n_cell_angle_alpha 117.16191000\n_cell_angle_beta 109.92535000\n_cell_angle_gamma 74.43221000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 64.15244478\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73078179 0.11675385 0.64609648 1\n C C1 1 0.37386094 0.50131180 -0.01751694 1\n C C2 1 0.77100671 0.44970685 0.85259950 1\n C C3 1 0.95356898 0.83965296 0.72952090 1\n C C4 1 0.54781393 0.72760123 0.76963260 1\n C C5 1 0.47548626 0.72086716 0.19308098 1\n C C6 1 0.12786836 0.06547680 0.51629342 1\n C C7 1 0.02467362 0.84872165 0.30510095 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47562000\n_cell_length_b 3.72193000\n_cell_length_c 4.92087000\n_cell_angle_alpha 67.71880000\n_cell_angle_beta 59.79267000\n_cell_angle_gamma 90.01578000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.20886017\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74501550 0.80003731 0.88086963 1\n C C1 1 0.02363484 0.23519240 0.60251924 1\n C C2 1 0.02277995 0.18846357 0.10338572 1\n C C3 1 0.74464357 0.34537815 0.38152698 1\n C C4 1 0.74510529 0.39172120 0.88095412 1\n C C5 1 1.02256705 0.78013868 0.10322670 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44962000\n_cell_length_b 5.54030000\n_cell_length_c 7.00780000\n_cell_angle_alpha 66.96333000\n_cell_angle_beta 79.95874000\n_cell_angle_gamma 90.02524000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.93444073\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81791674 0.07722753 0.77042902 1\n C C1 1 0.26188278 0.40551449 0.88433277 1\n C C2 1 0.85919255 0.85150714 0.69341507 1\n C C3 1 0.93290897 0.29166377 0.54284963 1\n C C4 1 0.26144189 0.10696834 0.88472590 1\n C C5 1 -0.06685043 0.56129309 0.54225752 1\n C C6 1 0.81823861 0.54923318 0.77040684 1\n C C7 1 0.59780493 0.84608000 0.21198063 1\n C C8 1 1.14883223 0.37463129 0.10738869 1\n C C9 1 0.14882277 -0.08374733 0.10777770 1\n C C10 1 0.43044711 0.92223492 0.55063128 1\n C C11 1 0.59742405 0.33937153 0.21188203 1\n C C12 1 0.48065106 0.72332653 0.44515442 1\n C C13 1 0.48051693 0.22642071 0.44534248 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43235000\n_cell_length_b 6.66193000\n_cell_length_c 6.25139000\n_cell_angle_alpha 122.26514000\n_cell_angle_beta 82.66705000\n_cell_angle_gamma 103.95475000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 83.12851342\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07346633 0.02909549 0.94872929 1\n C C1 1 0.32515948 0.69113452 0.57178395 1\n C C2 1 0.70243666 0.54620096 0.57127765 1\n C C3 1 0.61800054 0.29522803 0.35164634 1\n C C4 1 0.52272848 0.64001123 0.85070765 1\n C C5 1 1.08431250 0.19668813 0.23167347 1\n C C6 1 0.23011384 0.21765472 0.87564684 1\n C C7 1 0.95301506 0.58373462 -0.05177144 1\n C C8 1 0.41117222 0.72255466 0.35220365 1\n C C9 1 0.50484062 0.87546796 0.85127609 1\n C C10 1 0.79063388 0.32178709 0.87550630 1\n C C11 1 -0.05399073 0.70149700 0.23219670 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46974000\n_cell_length_b 3.23559000\n_cell_length_c 5.18375000\n_cell_angle_alpha 88.65673000\n_cell_angle_beta 90.00121000\n_cell_angle_gamma 112.47013000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.26644639\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94258321 0.89286393 0.56409299 1\n C C1 1 0.43265123 0.87203772 0.15488145 1\n C C2 1 0.61740824 0.24408185 0.93590525 1\n C C3 1 0.25586997 0.52146717 0.93693469 1\n C C4 1 -0.06704524 0.87225467 0.30770245 1\n C C5 1 0.44269889 0.89346456 0.71681887 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43030000\n_cell_length_b 3.95957000\n_cell_length_c 6.24930000\n_cell_angle_alpha 71.07166000\n_cell_angle_beta 90.00137000\n_cell_angle_gamma 89.99683000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.88476912\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29959598 0.61043596 0.55146768 1\n C C1 1 0.79959598 0.36052254 0.30168469 1\n C C2 1 0.79959598 0.52300720 0.46998474 1\n C C3 1 0.29959598 1.11059908 0.05139052 1\n C C4 1 0.79959598 0.02321578 0.96986769 1\n C C5 1 -0.20040402 -0.13934401 0.80160147 1\n C C6 1 0.29959598 0.77437619 0.71914584 1\n C C7 1 0.29959598 0.27435227 0.21916967 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42891000\n_cell_length_b 3.63611000\n_cell_length_c 4.96164000\n_cell_angle_alpha 95.31350000\n_cell_angle_beta 102.02463000\n_cell_angle_gamma 86.94615000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.64848125\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83042846 0.13949736 0.68317086 1\n C C1 1 0.05162222 0.69476386 1.12661400 1\n C C2 1 0.38488729 1.02800639 0.79316993 1\n C C3 1 0.16387662 0.47300691 0.34998548 1\n C C4 1 0.49712802 0.80626148 1.01654032 1\n C C5 1 0.71830748 0.36146781 0.46000171 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44347000\n_cell_length_b 4.24308000\n_cell_length_c 6.35760000\n_cell_angle_alpha 64.22555000\n_cell_angle_beta 78.81956000\n_cell_angle_gamma 73.26348000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.66194131\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83879946 0.90841104 0.42657433 1\n C C1 1 0.58918244 1.00290695 0.83489141 1\n C C2 1 0.66340023 0.28974418 0.39495357 1\n C C3 1 0.14394484 0.47399471 0.24807236 1\n C C4 1 0.97137237 0.86495801 0.20403979 1\n C C5 1 0.45412029 1.04662421 0.05742500 1\n C C6 1 -0.09718849 0.56972704 0.63629638 1\n C C7 1 0.28246107 0.43739621 0.01378078 1\n C C8 1 0.76390000 0.62167721 0.86667421 1\n C C9 1 0.52382289 0.34147966 0.62575139 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.73719000\n_cell_length_b 4.80133000\n_cell_length_c 3.62032000\n_cell_angle_alpha 112.03380000\n_cell_angle_beta 89.92508000\n_cell_angle_gamma 90.04211000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.10373150\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43703346 0.05240402 0.55888971 1\n C C1 1 0.43719017 0.55299759 0.50100985 1\n C C2 1 0.43724149 1.05252086 0.94031845 1\n C C3 1 0.43745933 0.74345454 -0.09440255 1\n C C4 1 0.43702668 0.24297594 0.34495790 1\n C C5 1 0.43716257 0.74372134 0.28728813 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.73829000\n_cell_length_b 3.62095000\n_cell_length_c 4.80429000\n_cell_angle_alpha 112.10015000\n_cell_angle_beta 89.58458000\n_cell_angle_gamma 90.78489000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.13139971\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61301886 0.65935756 0.78273698 1\n C C1 1 0.61298609 0.60053495 0.28328545 1\n C C2 1 0.61333748 0.25494742 0.59224624 1\n C C3 1 0.61300252 -0.18531110 0.09279545 1\n C C4 1 0.61311711 0.87319167 0.59209297 1\n C C5 1 0.61296805 0.21917249 0.28325440 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.59202000\n_cell_length_b 3.59233000\n_cell_length_c 5.36318000\n_cell_angle_alpha 53.86981000\n_cell_angle_beta 53.88746000\n_cell_angle_gamma 40.54985000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99663981\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54839551 -0.05116833 0.66460560 1\n C C1 1 0.65482378 1.05434918 0.08297921 1\n C C2 1 0.94259249 0.34268589 0.87688597 1\n C C3 1 0.46644969 0.86640526 0.45898010 1\n C C4 1 0.83672726 0.23668330 0.45877316 1\n C C5 1 1.02513868 0.42481360 0.08287396 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49041000\n_cell_length_b 4.00628000\n_cell_length_c 6.74093000\n_cell_angle_alpha 95.57401000\n_cell_angle_beta 68.34243000\n_cell_angle_gamma 89.99453000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.16572371\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11683269 0.76430169 0.57901414 1\n C C1 1 0.27481274 0.24731855 0.68967987 1\n C C2 1 0.45337506 0.93031400 0.50883021 1\n C C3 1 0.77194305 0.45468547 0.69269605 1\n C C4 1 0.70517349 0.87391426 0.25602957 1\n C C5 1 0.85038368 0.16216372 0.11116097 1\n C C6 1 0.25252673 0.67857316 0.20851514 1\n C C7 1 1.08461908 -0.00105366 0.87740095 1\n C C8 1 0.64395609 0.80247379 0.81786677 1\n C C9 1 0.31060557 0.35478562 0.15009472 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43149000\n_cell_length_b 4.47495000\n_cell_length_c 6.14607000\n_cell_angle_alpha 70.06958000\n_cell_angle_beta 81.84832000\n_cell_angle_gamma 69.41060000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.83483308\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58937320 0.42288792 0.24000864 1\n C C1 1 0.33935269 0.17297061 0.98995971 1\n C C2 1 0.50595453 0.00604582 0.82415941 1\n C C3 1 0.08919770 -0.07679816 0.73982634 1\n C C4 1 0.75609890 0.25581894 0.07428933 1\n C C5 1 0.00605586 0.50585036 0.32427403 1\n C C6 1 0.25588048 0.75610378 0.57412863 1\n C C7 1 0.83921334 0.67308993 0.48989560 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48707000\n_cell_length_b 2.48761000\n_cell_length_c 6.08886000\n_cell_angle_alpha 90.00188000\n_cell_angle_beta 90.00323000\n_cell_angle_gamma 59.96540000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61259813\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91612227 0.48330258 0.66221811 1\n C C1 1 0.24982793 -0.18374444 0.99547623 1\n C C2 1 0.24946488 0.81664518 0.24600274 1\n C C3 1 0.58277040 0.15002682 0.57943509 1\n C C4 1 0.91651190 0.48293953 0.91274462 1\n C C5 1 0.58274064 1.14999705 0.32878576 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63237000\n_cell_length_b 3.27187000\n_cell_length_c 6.64256000\n_cell_angle_alpha 88.85170000\n_cell_angle_beta 72.55620000\n_cell_angle_gamma 104.51392000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.52228901\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64895046 0.72956965 0.63747602 1\n C C1 1 0.40208190 0.78517479 0.50364389 1\n C C2 1 0.90238504 0.78528825 0.00359013 1\n C C3 1 0.08194941 0.14687825 0.82306449 1\n C C4 1 0.05841878 -0.00249244 0.60968843 1\n C C5 1 0.58205559 0.14687398 0.32310323 1\n C C6 1 0.55877432 -0.00238163 0.10968890 1\n C C7 1 0.49008363 0.41327291 0.79609052 1\n C C8 1 1.14938819 0.72950348 0.13735771 1\n C C9 1 0.23937751 0.35847038 0.42878484 1\n C C10 1 0.73939827 0.35859955 0.92879471 1\n C C11 1 -0.00967550 0.41321654 0.29599882 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45995000\n_cell_length_b 5.90130000\n_cell_length_c 7.31254000\n_cell_angle_alpha 118.28071000\n_cell_angle_beta 85.03395000\n_cell_angle_gamma 118.84131000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.48943148\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59854740 0.70252948 0.56898539 1\n C C1 1 0.52007398 0.19179920 0.76517305 1\n C C2 1 0.04726286 0.26501763 0.90475187 1\n C C3 1 0.63760095 0.70042800 0.26099669 1\n C C4 1 0.59365419 0.17980347 0.42788051 1\n C C5 1 0.55210448 0.03973475 0.02703419 1\n C C6 1 0.31399883 0.88055347 0.37829916 1\n C C7 1 0.48683906 0.58884668 0.71911476 1\n C C8 1 0.70248767 0.27409783 0.26694747 1\n C C9 1 0.39749401 0.47035339 0.32782191 1\n C C10 1 0.50122389 0.59970437 1.04174720 1\n C C11 1 0.28004369 0.87955291 0.58567676 1\n C C12 1 0.78123136 0.82214051 -0.04327443 1\n C C13 1 0.76606543 0.38957941 0.66044467 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42381000\n_cell_length_b 4.61725000\n_cell_length_c 3.50095000\n_cell_angle_alpha 68.47091000\n_cell_angle_beta 94.73342000\n_cell_angle_gamma 92.47155000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.30321066\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.09910306 -0.12146536 0.76223262 1\n C C1 1 0.90770710 0.38500750 0.34798858 1\n C C2 1 0.47572220 0.70016229 0.79359003 1\n C C3 1 -0.18186176 0.71193579 0.12538688 1\n C C4 1 0.75674165 0.86715176 0.43006858 1\n C C5 1 0.67179842 0.19469274 0.20707564 1\n C C6 1 0.16000848 0.22199963 0.67422095 1\n C C7 1 0.41711935 0.35686545 0.88216842 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.56829000\n_cell_length_b 4.28271000\n_cell_length_c 6.61417000\n_cell_angle_alpha 118.13623000\n_cell_angle_beta 112.75511000\n_cell_angle_gamma 103.37713000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 90.59074006\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47163429 0.60714324 0.50646147 1\n C C1 1 0.19047748 0.21433298 0.91668079 1\n C C2 1 1.07652776 0.38276492 0.27294886 1\n C C3 1 0.71839275 0.70654397 0.40890077 1\n C C4 1 0.05766928 0.13924504 0.64138931 1\n C C5 1 0.54174000 -0.02258062 0.76801273 1\n C C6 1 0.51389531 0.94054166 0.12618546 1\n C C7 1 0.60100093 0.39165089 0.61157488 1\n C C8 1 0.49970417 0.64401145 0.14838128 1\n C C9 1 0.41228618 0.19353764 0.66355426 1\n C C10 1 0.82303337 0.37015748 0.35794864 1\n C C11 1 0.29515223 0.87805549 0.86566405 1\n C C12 1 0.95539514 0.44549727 0.63345227 1\n C C13 1 0.93684663 0.20100898 1.00147573 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43313000\n_cell_length_b 3.07837000\n_cell_length_c 8.74683000\n_cell_angle_alpha 81.51073000\n_cell_angle_beta 106.20280000\n_cell_angle_gamma 112.13999000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.20695880\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85581236 0.96974804 0.29818379 1\n C C1 1 1.02255084 0.96918505 0.46479674 1\n C C2 1 1.10607214 0.96959064 0.04838980 1\n C C3 1 0.52279797 -0.03108109 0.96514985 1\n C C4 1 0.60574316 -0.03009778 0.54798921 1\n C C5 1 -0.22717301 -0.03097286 0.71503690 1\n C C6 1 0.27249839 0.96907831 0.21491743 1\n C C7 1 0.35605904 0.96972278 0.79821530 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46657000\n_cell_length_b 3.62508000\n_cell_length_c 6.55734000\n_cell_angle_alpha 106.46039000\n_cell_angle_beta 82.64764000\n_cell_angle_gamma 117.60735000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.82709294\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55764809 1.04473952 0.32094899 1\n C C1 1 0.20610599 0.65360002 0.81945278 1\n C C2 1 0.71052334 0.49077324 0.48027432 1\n C C3 1 0.86112554 0.77247189 0.32098670 1\n C C4 1 0.21065186 0.55512170 0.60889536 1\n C C5 1 0.55537157 0.43468643 1.10722659 1\n C C6 1 0.85907090 0.16253464 0.10737969 1\n C C7 1 -0.29427338 0.71704007 -0.05184273 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35706000\n_cell_length_b 2.46722000\n_cell_length_c 5.77595000\n_cell_angle_alpha 64.61682000\n_cell_angle_beta 79.42950000\n_cell_angle_gamma 68.54784000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.20702205\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59452420 0.16850668 0.74595672 1\n C C1 1 0.89961830 0.49332051 0.26770429 1\n C C2 1 0.34194422 0.19209684 0.34734233 1\n C C3 1 0.64729773 0.51989217 0.86922406 1\n C C4 1 0.51603817 0.48041567 0.47208287 1\n C C5 1 0.72537859 0.20488853 0.14324743 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47973000\n_cell_length_b 4.89315000\n_cell_length_c 3.68871000\n_cell_angle_alpha 92.85332000\n_cell_angle_beta 109.61860000\n_cell_angle_gamma 120.42325000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99801702\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29507079 0.86776217 0.16497515 1\n C C1 1 0.67793888 0.56991976 0.52438009 1\n C C2 1 0.72373889 0.07398618 0.61036207 1\n C C3 1 0.12552087 0.43912737 0.68154055 1\n C C4 1 0.55438207 0.64550718 1.12675332 1\n C C5 1 0.17105110 0.94278636 0.76680081 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67787000\n_cell_length_b 4.65244000\n_cell_length_c 4.66463000\n_cell_angle_alpha 110.00535000\n_cell_angle_beta 103.79022000\n_cell_angle_gamma 128.64972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.68877318\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30667690 0.63426276 0.51092363 1\n C C1 1 0.31249127 0.63481201 0.19977128 1\n C C2 1 1.07268310 0.63763091 0.95790788 1\n C C3 1 0.07824110 0.63797223 0.64656499 1\n C C4 1 0.78708800 0.63829409 0.48528157 1\n C C5 1 0.62663535 0.63833795 0.19668314 1\n C C6 1 0.59797925 0.63412188 0.67220527 1\n C C7 1 0.75910664 0.63546287 0.96149624 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42779000\n_cell_length_b 4.73843000\n_cell_length_c 3.26522000\n_cell_angle_alpha 89.99700000\n_cell_angle_beta 90.04250000\n_cell_angle_gamma 114.69091000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.18607063\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23856226 0.47170162 0.59249427 1\n C C1 1 0.90145418 -0.05969317 0.37207812 1\n C C2 1 1.04308072 0.63739769 0.87213377 1\n C C3 1 -0.09835761 0.44041589 0.24350870 1\n C C4 1 0.70640752 0.60597269 0.52450261 1\n C C5 1 1.04271185 0.13724623 0.74362329 1\n C C6 1 0.23812605 0.97170292 1.02465645 1\n C C7 1 0.70606283 0.10601883 0.09233130 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.17489000\n_cell_length_b 2.51199000\n_cell_length_c 4.18091000\n_cell_angle_alpha 107.29244000\n_cell_angle_beta 121.05191000\n_cell_angle_gamma 72.82961000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.32164699\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02778907 0.08970986 0.27614483 1\n C C1 1 0.99147440 0.70038066 0.51937031 1\n C C2 1 0.36040989 0.70011224 0.88776892 1\n C C3 1 0.31679204 0.89180571 0.23215400 1\n C C4 1 0.64715261 0.89175861 0.56329054 1\n C C5 1 0.60381943 0.09013881 0.90797090 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50471000\n_cell_length_b 4.25105000\n_cell_length_c 4.81007000\n_cell_angle_alpha 116.25418000\n_cell_angle_beta 90.01809000\n_cell_angle_gamma 89.98538000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.93251576\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54600702 0.21097267 0.67248647 1\n C C1 1 0.04625528 0.08588218 0.15508967 1\n C C2 1 0.04589884 0.11245743 0.47536372 1\n C C3 1 0.54632563 0.84424733 0.67239306 1\n C C4 1 0.54629630 0.87008922 0.99163039 1\n C C5 1 1.04633165 0.45192020 0.15502131 1\n C C6 1 0.54620260 0.50427522 -0.00839673 1\n C C7 1 0.04622480 0.74537666 0.47528040 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42953000\n_cell_length_b 5.56357000\n_cell_length_c 6.76984000\n_cell_angle_alpha 94.07733000\n_cell_angle_beta 73.85432000\n_cell_angle_gamma 99.67902000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.61787092\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19756107 -0.06163321 0.51892602 1\n C C1 1 1.19887778 0.38348266 0.74039231 1\n C C2 1 0.69903193 0.05026147 0.57357471 1\n C C3 1 0.69738835 0.60495916 0.35238680 1\n C C4 1 0.69892835 0.71689530 0.90694670 1\n C C5 1 0.19745794 0.27162002 1.18572168 1\n C C6 1 0.19737493 0.60494194 0.85240086 1\n C C7 1 0.69890237 0.38350606 0.24038650 1\n C C8 1 0.69742934 0.27158592 0.68573841 1\n C C9 1 0.19905119 0.05030433 0.07352953 1\n C C10 1 0.69756491 0.93839391 0.01888935 1\n C C11 1 0.19893464 0.71690174 0.40693634 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50306000\n_cell_length_b 7.16759000\n_cell_length_c 6.70426000\n_cell_angle_alpha 81.65572000\n_cell_angle_beta 92.27972000\n_cell_angle_gamma 62.42362000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 104.69989546\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15649300 0.24437337 1.07062701 1\n C C1 1 0.39992723 0.41499320 0.53166967 1\n C C2 1 1.12884587 0.64860883 0.85839380 1\n C C3 1 0.05350103 0.31511870 0.84313091 1\n C C4 1 0.52714931 0.00332259 0.12432986 1\n C C5 1 1.14758477 0.90654428 0.04482579 1\n C C6 1 0.99491911 0.87726125 0.83948235 1\n C C7 1 0.53301325 0.68132900 0.16580473 1\n C C8 1 0.52309036 0.33554752 0.15883283 1\n C C9 1 0.65619515 0.06675089 0.47426539 1\n C C10 1 0.55692927 0.27112810 0.38047820 1\n C C11 1 0.18771988 0.57632409 0.09688607 1\n C C12 1 0.75279236 0.89620294 0.35592463 1\n C C13 1 0.71314376 0.55474982 0.54375892 1\n C C14 1 0.45309028 0.74915276 0.37631154 1\n C C15 1 0.61999570 0.25568010 0.73577194 1\n C C16 1 0.73463661 0.55955518 0.77434959 1\n C C17 1 0.79902486 0.04197270 0.68285495 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47803000\n_cell_length_b 2.47794000\n_cell_length_c 6.31190000\n_cell_angle_alpha 101.31552000\n_cell_angle_beta 78.70279000\n_cell_angle_gamma 119.99967000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.69379508\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29742424 0.73799919 0.14855203 1\n C C1 1 0.52151999 0.51771985 0.48330608 1\n C C2 1 0.37792393 0.65381344 0.90125736 1\n C C3 1 0.60421149 0.43358459 0.23220033 1\n C C4 1 0.07239163 -0.04052239 0.81831416 1\n C C5 1 0.15916732 0.87807991 0.56739954 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48441000\n_cell_length_b 4.08554000\n_cell_length_c 4.67931000\n_cell_angle_alpha 96.68547000\n_cell_angle_beta 74.60689000\n_cell_angle_gamma 90.00677000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45704608\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43783736 0.48421306 0.82902292 1\n C C1 1 -0.06361321 0.25918085 0.83204534 1\n C C2 1 0.31846649 0.79026542 1.06140827 1\n C C3 1 0.60740609 0.55188108 0.48764727 1\n C C4 1 0.66349690 0.19570705 0.37371884 1\n C C5 1 0.09223757 0.07734728 0.51819131 1\n C C6 1 0.81926138 1.01718014 0.05989258 1\n C C7 1 0.14918992 0.72191742 0.40189677 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39364000\n_cell_length_b 4.55307000\n_cell_length_c 4.55566000\n_cell_angle_alpha 63.10949000\n_cell_angle_beta 68.09958000\n_cell_angle_gamma 68.09350000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.44496995\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50964567 0.90927864 0.46060402 1\n C C1 1 0.11091414 0.22121312 0.44565653 1\n C C2 1 0.71205075 0.20633326 0.75736422 1\n C C3 1 1.01311146 0.62778986 0.88721589 1\n C C4 1 0.36099714 0.48798674 0.33051639 1\n C C5 1 0.20869564 0.77968686 0.03876135 1\n C C6 1 -0.13920953 0.33608950 0.17897013 1\n C C7 1 0.39347106 0.55805062 0.60867799 1\n C C8 1 0.61095413 0.89467159 0.77206952 1\n C C9 1 0.82798373 0.05810171 0.10876306 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31860000\n_cell_length_b 3.31867000\n_cell_length_c 4.89112000\n_cell_angle_alpha 72.64839000\n_cell_angle_beta 72.66493000\n_cell_angle_gamma 97.13054000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.72091375\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70647649 0.16859994 0.59975946 1\n C C1 1 1.17184501 0.18186545 0.11641169 1\n C C2 1 0.34840572 0.81165774 0.60013223 1\n C C3 1 -0.00534947 1.00419749 0.76619879 1\n C C4 1 0.81986518 0.83018139 0.11631536 1\n C C5 1 0.00808346 0.47103793 0.28232595 1\n C C6 1 0.34735735 0.35628755 0.76605444 1\n C C7 1 0.36438986 0.82877211 0.28244297 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48135000\n_cell_length_b 4.75589000\n_cell_length_c 7.32165000\n_cell_angle_alpha 98.05477000\n_cell_angle_beta 102.20887000\n_cell_angle_gamma 97.53146000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.45476677\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11354212 0.51035215 0.45707946 1\n C C1 1 0.48298760 0.53067474 0.58417164 1\n C C2 1 0.18642211 0.75906044 0.85039781 1\n C C3 1 0.58949193 0.32403920 0.72264875 1\n C C4 1 0.43696753 0.18320378 0.14027148 1\n C C5 1 0.57695169 0.03684277 0.62878343 1\n C C6 1 0.51087698 -0.03427181 0.42207179 1\n C C7 1 0.25737092 -0.13319327 0.06088094 1\n C C8 1 0.45466761 0.41113096 1.04432511 1\n C C9 1 0.62356092 0.80360727 0.73371354 1\n C C10 1 1.19321933 0.42755312 0.84598020 1\n C C11 1 0.62384278 0.22609404 0.33400268 1\n C C12 1 0.73712725 0.71758782 0.13705675 1\n C C13 1 0.90978129 0.77542108 0.35261062 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48843000\n_cell_length_b 2.48788000\n_cell_length_c 6.57833000\n_cell_angle_alpha 67.73370000\n_cell_angle_beta 79.07955000\n_cell_angle_gamma 59.98060000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.63330576\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37523581 0.76865598 0.35389727 1\n C C1 1 0.70862062 0.18522482 0.27070607 1\n C C2 1 0.70856915 0.43532265 0.02056393 1\n C C3 1 1.04195395 0.85189149 0.93737273 1\n C C4 1 0.04190248 1.10198931 0.68723060 1\n C C5 1 0.37528729 0.51855815 0.60403940 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50364000\n_cell_length_b 3.29596000\n_cell_length_c 6.53599000\n_cell_angle_alpha 85.97843000\n_cell_angle_beta 79.30877000\n_cell_angle_gamma 67.81940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.07614366\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80748404 0.63279823 0.31965619 1\n C C1 1 0.90637246 0.27490909 0.49193180 1\n C C2 1 0.06686532 0.27482677 0.16172435 1\n C C3 1 0.16940211 0.91568513 0.31966558 1\n C C4 1 1.08070528 0.63295458 0.79597973 1\n C C5 1 0.44250287 -0.08410170 0.79597351 1\n C C6 1 0.34444499 1.27468467 0.62267423 1\n C C7 1 0.18329942 0.27453494 0.95379541 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53120000\n_cell_length_b 2.45781000\n_cell_length_c 6.83690000\n_cell_angle_alpha 68.93270000\n_cell_angle_beta 83.27204000\n_cell_angle_gamma 89.42881000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.39372924\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54118502 0.60997363 0.27485007 1\n C C1 1 0.33188327 -0.21731149 0.60183116 1\n C C2 1 0.39869923 0.38796713 0.49568163 1\n C C3 1 0.23436603 0.54989531 0.83321849 1\n C C4 1 0.60751388 0.21517026 0.16873462 1\n C C5 1 0.70339226 0.44714287 0.93727943 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48973000\n_cell_length_b 7.13751000\n_cell_length_c 8.37662000\n_cell_angle_alpha 108.19845000\n_cell_angle_beta 88.78391000\n_cell_angle_gamma 90.21948000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 141.37830589\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64020069 0.55561845 0.90543845 1\n C C1 1 0.64806292 0.44715742 1.02277000 1\n C C2 1 1.13355029 0.63087028 0.26185853 1\n C C3 1 0.63557517 0.76987905 0.94846368 1\n C C4 1 0.15365738 0.50643879 0.55931288 1\n C C5 1 1.13951014 0.80326445 0.85909067 1\n C C6 1 0.63904219 0.23804859 0.36860937 1\n C C7 1 0.64878868 0.47705427 0.44836658 1\n C C8 1 0.21772133 -0.02698435 0.80376395 1\n C C9 1 0.66084101 0.26457104 0.87862606 1\n C C10 1 0.21859479 0.69813099 0.67629945 1\n C C11 1 0.62906181 0.64406671 0.36629043 1\n C C12 1 0.59076372 0.87049213 0.47927798 1\n C C13 1 0.63180097 0.89304434 0.14097627 1\n C C14 1 0.13987471 0.44269803 0.12207923 1\n C C15 1 0.40770109 0.86736385 0.64594202 1\n C C16 1 0.14203501 0.34021246 0.63382215 1\n C C17 1 0.64262279 0.36894933 0.74512989 1\n C C18 1 0.13214558 0.17935433 0.45267176 1\n C C19 1 1.12521176 0.84180069 0.22659466 1\n C C20 1 0.64021386 0.13587929 0.17507230 1\n C C21 1 0.14365853 0.20877414 0.10531305 1\n C C22 1 0.10726019 0.95648526 0.41926226 1\n C C23 1 0.16416521 0.16491376 0.90850915 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.91660000\n_cell_length_b 3.32131000\n_cell_length_c 3.78625000\n_cell_angle_alpha 95.90065000\n_cell_angle_beta 88.09388000\n_cell_angle_gamma 74.19206000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.04197340\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27227381 0.95905843 1.06316078 1\n C C1 1 0.52538653 0.13708423 0.55405303 1\n C C2 1 0.60534599 0.57403768 0.07402068 1\n C C3 1 0.11687034 0.75892031 0.36645940 1\n C C4 1 0.16681608 0.05406067 0.69985820 1\n C C5 1 0.76519038 0.70738256 0.42109347 1\n C C6 1 0.38028220 0.33381661 0.24429270 1\n C C7 1 -0.21750013 0.38656361 0.70961355 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42882000\n_cell_length_b 3.03800000\n_cell_length_c 7.23042000\n_cell_angle_alpha 123.16584000\n_cell_angle_beta 74.90887000\n_cell_angle_gamma 96.56077000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.09363962\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58439060 0.74356908 0.89873702 1\n C C1 1 0.69483485 0.29925355 0.67707773 1\n C C2 1 1.02834003 -0.03358028 0.01028336 1\n C C3 1 0.25094261 0.07642907 0.56546088 1\n C C4 1 0.36162174 0.63271230 0.34362378 1\n C C5 1 0.91778378 0.41023098 0.23200774 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48165000\n_cell_length_b 4.22097000\n_cell_length_c 3.68744000\n_cell_angle_alpha 105.02031000\n_cell_angle_beta 109.64302000\n_cell_angle_gamma 89.96879000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97561918\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32752529 0.43668206 0.36452869 1\n C C1 1 0.54905902 0.64340347 0.81054100 1\n C C2 1 0.87290491 0.94131756 0.45478229 1\n C C3 1 0.74914711 0.56704423 0.20741737 1\n C C4 1 1.06955500 0.86516398 0.85175825 1\n C C5 1 0.29431658 0.07175179 0.29785601 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48702000\n_cell_length_b 2.48649000\n_cell_length_c 5.55986000\n_cell_angle_alpha 77.07464000\n_cell_angle_beta 77.07663000\n_cell_angle_gamma 89.98936000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61693150\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04083879 0.13926700 0.60181805 1\n C C1 1 0.12452640 0.72291214 0.43471078 1\n C C2 1 0.37417213 0.47260033 0.93515138 1\n C C3 1 0.79119307 0.38957880 0.10137745 1\n C C4 1 0.70750546 0.80593366 0.26848472 1\n C C5 1 0.45785973 0.05624547 0.76804412 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49141000\n_cell_length_b 3.59311000\n_cell_length_c 4.35364000\n_cell_angle_alpha 84.31532000\n_cell_angle_beta 106.58760000\n_cell_angle_gamma 110.26818000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.03874211\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44236226 0.85507024 0.39715546 1\n C C1 1 0.88243866 0.11368994 1.02081296 1\n C C2 1 0.25324556 0.85463866 0.02092736 1\n C C3 1 0.35969370 0.48390004 0.60288673 1\n C C4 1 0.07089326 1.11412781 0.39679246 1\n C C5 1 0.96469056 0.48349792 0.81500973 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.13997000\n_cell_length_b 5.12007000\n_cell_length_c 4.86487000\n_cell_angle_alpha 75.01020000\n_cell_angle_beta 114.92701000\n_cell_angle_gamma 125.03744000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.05798545\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67433927 0.84700919 0.91917037 1\n C C1 1 0.17432504 0.34681383 0.16916989 1\n C C2 1 0.67438313 0.84702588 0.41915730 1\n C C3 1 1.00534439 0.18036115 0.91837738 1\n C C4 1 1.00537892 0.18036116 0.41837134 1\n C C5 1 0.17428950 0.34679781 0.66915828 1\n C C6 1 0.50797335 0.68028866 0.66916203 1\n C C7 1 0.50796499 0.68027082 1.16920392 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45293000\n_cell_length_b 5.57372000\n_cell_length_c 7.69415000\n_cell_angle_alpha 124.21888000\n_cell_angle_beta 99.18069000\n_cell_angle_gamma 89.98277000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.35337411\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98290802 0.85733998 0.05677369 1\n C C1 1 0.84121279 0.93179811 0.76838539 1\n C C2 1 0.65664591 0.18586648 0.40415560 1\n C C3 1 0.52527133 0.56260942 0.13517518 1\n C C4 1 0.32926287 0.43340540 0.74745898 1\n C C5 1 0.10670164 1.00091126 0.30223676 1\n C C6 1 0.50992453 0.27213127 0.10723851 1\n C C7 1 0.95851889 0.08726199 1.00523353 1\n C C8 1 0.77602171 0.34139259 0.64091461 1\n C C9 1 0.28719969 0.83876812 0.66170004 1\n C C10 1 0.16944592 0.61261504 0.42830717 1\n C C11 1 0.63098119 0.41548669 0.35247801 1\n C C12 1 0.09476044 0.71071606 0.27457867 1\n C C13 1 0.44623838 0.65983470 -0.01897916 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45177000\n_cell_length_b 6.13720000\n_cell_length_c 4.54510000\n_cell_angle_alpha 130.71043000\n_cell_angle_beta 105.67119000\n_cell_angle_gamma 101.49382000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.80301621\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39029432 0.31990185 0.32917597 1\n C C1 1 0.82913145 0.64221022 0.88371818 1\n C C2 1 0.48831954 0.83053793 1.01437458 1\n C C3 1 0.36413889 0.44960330 0.14363746 1\n C C4 1 0.85976400 0.51353777 0.07081087 1\n C C5 1 0.73000410 0.13134933 0.19732625 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42838000\n_cell_length_b 5.48186000\n_cell_length_c 5.36477000\n_cell_angle_alpha 107.08725000\n_cell_angle_beta 90.17416000\n_cell_angle_gamma 76.47329000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.20405749\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67558262 0.11683272 0.36104210 1\n C C1 1 0.68632435 0.09308585 0.09040810 1\n C C2 1 0.46110645 0.56424379 -0.09957702 1\n C C3 1 -0.06876961 0.62821563 0.30555502 1\n C C4 1 -0.13321323 0.74974625 0.59347068 1\n C C5 1 0.27176926 0.93142492 0.66795505 1\n C C6 1 0.18159458 0.10622080 0.49013629 1\n C C7 1 0.45358686 0.58559557 0.17048516 1\n C C8 1 0.20803265 1.05151827 0.95568640 1\n C C9 1 0.95589236 0.57383800 0.77087972 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44977000\n_cell_length_b 5.43385000\n_cell_length_c 5.70796000\n_cell_angle_alpha 55.96600000\n_cell_angle_beta 90.02057000\n_cell_angle_gamma 90.03510000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.96715451\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97432745 0.87196967 0.51195129 1\n C C1 1 0.47405767 0.68633939 0.65671843 1\n C C2 1 0.97447630 0.30072767 0.63143936 1\n C C3 1 0.97403659 0.50215156 0.31795813 1\n C C4 1 0.47455843 0.36260617 0.74764061 1\n C C5 1 -0.02484429 1.07042903 0.20276777 1\n C C6 1 0.97424151 0.97715126 0.72213234 1\n C C7 1 0.47404775 0.59256230 0.17625126 1\n C C8 1 0.47505732 1.16119165 0.06102019 1\n C C9 1 0.47401215 0.79129929 0.86687182 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48458000\n_cell_length_b 4.67686000\n_cell_length_c 4.08660000\n_cell_angle_alpha 96.69348000\n_cell_angle_beta 90.00991000\n_cell_angle_gamma 105.37386000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45115734\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73484117 0.09065019 0.61037767 1\n C C1 1 0.08075069 0.77825429 0.20351232 1\n C C2 1 0.56523585 0.74890885 0.67770456 1\n C C3 1 0.35385232 0.31976056 0.14144513 1\n C C4 1 0.85469590 0.32171894 0.91658594 1\n C C5 1 0.50978828 0.63460959 0.32222048 1\n C C6 1 0.02336240 0.66271054 0.84756109 1\n C C7 1 0.23588849 1.09292894 0.38363101 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20544000\n_cell_length_b 4.39742000\n_cell_length_c 4.26578000\n_cell_angle_alpha 59.07380000\n_cell_angle_beta 88.55313000\n_cell_angle_gamma 89.56421000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.64910555\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37356063 0.07672368 0.74938996 1\n C C1 1 0.46954240 0.73842732 0.40712661 1\n C C2 1 0.02521907 0.01405981 0.82590301 1\n C C3 1 0.51503600 0.09335137 0.06484591 1\n C C4 1 0.02195017 0.43288421 0.99138846 1\n C C5 1 -0.13429828 0.73773255 0.82383038 1\n C C6 1 0.52039794 0.75130367 0.74731066 1\n C C7 1 0.86262262 0.15722102 -0.01214609 1\n C C8 1 0.42137166 0.43132229 0.40730020 1\n C C9 1 0.36768129 0.41871089 0.06728548 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.87479000\n_cell_length_b 4.84789000\n_cell_length_c 4.28294000\n_cell_angle_alpha 66.75540000\n_cell_angle_beta 85.89832000\n_cell_angle_gamma 79.35214000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.64968243\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69843656 0.31339741 1.12146113 1\n C C1 1 0.69708552 1.01551369 1.12187028 1\n C C2 1 0.45605264 0.52646698 0.87836441 1\n C C3 1 0.31000279 0.36025200 0.72918002 1\n C C4 1 -0.06046842 0.80226065 0.36498823 1\n C C5 1 0.34162221 0.84108796 0.76820065 1\n C C6 1 0.45820282 0.04438947 -0.12192626 1\n C C7 1 0.93750008 0.28403687 0.36544624 1\n C C8 1 0.05351531 0.48739952 0.47570824 1\n C C9 1 0.08572667 -0.03172245 0.51430027 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51740000\n_cell_length_b 4.41902000\n_cell_length_c 5.38135000\n_cell_angle_alpha 99.72216000\n_cell_angle_beta 84.15455000\n_cell_angle_gamma 101.17026000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.73882928\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15550756 0.48762438 0.54917725 1\n C C1 1 0.79186198 -0.00040516 0.91181573 1\n C C2 1 0.29300826 0.83285151 0.53729304 1\n C C3 1 0.59939747 0.41032913 0.69702364 1\n C C4 1 0.36665147 0.88679345 0.30402912 1\n C C5 1 0.16159579 0.35003059 0.26101784 1\n C C6 1 0.70997736 0.64661485 0.94465267 1\n C C7 1 0.20520997 0.61768176 0.10912368 1\n C C8 1 0.37615213 0.07158748 0.76260701 1\n C C9 1 0.63145772 0.15686661 0.19000883 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43905000\n_cell_length_b 5.97597000\n_cell_length_c 9.13007000\n_cell_angle_alpha 70.97812000\n_cell_angle_beta 86.28240000\n_cell_angle_gamma 79.25125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 123.60169932\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63505490 0.23423906 0.95356436 1\n C C1 1 0.62091187 0.04430793 0.32584781 1\n C C2 1 1.32438435 0.69235718 0.30482331 1\n C C3 1 0.47095036 0.43581966 0.32766228 1\n C C4 1 -0.44922279 0.37062641 0.06913376 1\n C C5 1 0.54466344 0.28928907 0.22880487 1\n C C6 1 0.47725682 0.62113300 -0.04686430 1\n C C7 1 0.09869113 0.32228929 0.70026343 1\n C C8 1 0.56864543 0.28045752 0.47886708 1\n C C9 1 1.03211458 0.78107548 0.69889001 1\n C C10 1 0.76545748 0.80954798 0.30369489 1\n C C11 1 1.01827428 0.60791767 0.85593736 1\n C C12 1 0.33766540 0.85525551 -0.01714296 1\n C C13 1 0.10111340 0.34324033 0.85649873 1\n C C14 1 0.60628976 0.32076966 0.62636286 1\n C C15 1 0.54599287 0.04605622 0.47826723 1\n C C16 1 0.77804887 0.97045014 -0.01682252 1\n C C17 1 0.52696653 0.85508988 0.62480789 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42995000\n_cell_length_b 4.20638000\n_cell_length_c 6.74085000\n_cell_angle_alpha 57.18079000\n_cell_angle_beta 100.13286000\n_cell_angle_gamma 90.14421000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.63951548\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75165267 0.74162527 0.83346683 1\n C C1 1 0.75220082 0.40657384 0.83564775 1\n C C2 1 0.25217527 0.90656302 0.83565716 1\n C C3 1 0.95992871 -0.01958517 0.33364825 1\n C C4 1 0.96047686 0.64536340 0.33582917 1\n C C5 1 0.46052066 0.14533372 0.33586456 1\n C C6 1 0.25160887 0.24165495 0.83343144 1\n C C7 1 0.45995425 0.48042565 0.33363884 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47092000\n_cell_length_b 5.97610000\n_cell_length_c 6.15091000\n_cell_angle_alpha 93.40351000\n_cell_angle_beta 101.60946000\n_cell_angle_gamma 101.88070000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.58050137\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22278486 0.94916108 0.30517447 1\n C C1 1 0.72532790 1.04792307 0.21226982 1\n C C2 1 0.70011666 0.48706623 0.70910193 1\n C C3 1 0.05442524 0.03141268 0.88763996 1\n C C4 1 0.55128592 0.93199928 0.98029326 1\n C C5 1 0.26902790 0.48562565 0.85000740 1\n C C6 1 0.03970919 0.69269548 0.19052960 1\n C C7 1 0.46119238 0.68799909 1.03833952 1\n C C8 1 0.02044004 0.49418793 0.34376591 1\n C C9 1 0.92369417 1.00182359 0.64886672 1\n C C10 1 0.36233860 0.98249076 0.54435176 1\n C C11 1 0.24100753 0.28684412 1.00229880 1\n C C12 1 0.59124150 0.49304841 0.48478872 1\n C C13 1 0.81945980 0.29141794 0.15448922 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47633000\n_cell_length_b 3.72304000\n_cell_length_c 4.92022000\n_cell_angle_alpha 112.24738000\n_cell_angle_beta 120.25271000\n_cell_angle_gamma 89.98305000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.22313672\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85106161 0.08087559 0.69559335 1\n C C1 1 0.57317632 0.69210825 0.91811153 1\n C C2 1 0.57264658 0.64586826 0.41740574 1\n C C3 1 0.85083990 0.48894552 0.69536003 1\n C C4 1 -0.14845545 0.53502196 0.19611247 1\n C C5 1 0.57327915 0.10017153 0.91803168 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47219000\n_cell_length_b 5.03429000\n_cell_length_c 6.41177000\n_cell_angle_alpha 119.75624000\n_cell_angle_beta 101.47298000\n_cell_angle_gamma 94.60462000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.37332551\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57432153 1.29489269 0.29810022 1\n C C1 1 0.22142215 0.80839045 0.48158368 1\n C C2 1 0.43463961 0.80026385 0.71723227 1\n C C3 1 0.23431331 0.17207651 0.59834086 1\n C C4 1 0.96351333 0.75951017 1.03139908 1\n C C5 1 0.97688800 0.12340215 0.14826253 1\n C C6 1 0.90435041 0.65415476 0.75248962 1\n C C7 1 0.76902076 0.13244720 0.91312349 1\n C C8 1 0.29641779 0.27752300 0.87743345 1\n C C9 1 0.73203333 0.31006181 0.55237579 1\n C C10 1 0.46565584 0.62112878 0.07698164 1\n C C11 1 0.62417624 0.63659183 0.33158116 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.14519000\n_cell_length_b 2.43041000\n_cell_length_c 5.76695000\n_cell_angle_alpha 100.71239000\n_cell_angle_beta 87.04578000\n_cell_angle_gamma 87.22021000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18150047\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79512251 0.53804761 0.76549339 1\n C C1 1 0.13472029 0.87169034 0.43371933 1\n C C2 1 0.35537952 0.76101233 0.21177629 1\n C C3 1 1.02500987 0.42776186 0.54576804 1\n C C4 1 0.68669401 1.09420096 0.87779483 1\n C C5 1 0.46394839 0.20483141 0.09926981 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.14146000\n_cell_length_b 4.66814000\n_cell_length_c 4.42450000\n_cell_angle_alpha 98.46311000\n_cell_angle_beta 95.48635000\n_cell_angle_gamma 134.62020000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.76608090\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64053939 0.75355078 0.25372547 1\n C C1 1 0.40211042 0.75593931 1.01118814 1\n C C2 1 0.40636719 1.07150231 0.01639682 1\n C C3 1 0.63755697 0.43836181 0.24844301 1\n C C4 1 0.92888293 0.56852621 0.53863384 1\n C C5 1 0.09070445 0.43914976 0.69841174 1\n C C6 1 0.11451481 0.94188196 0.72648435 1\n C C7 1 -0.04621776 0.07095226 0.56520553 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45009000\n_cell_length_b 6.45377000\n_cell_length_c 5.53104000\n_cell_angle_alpha 90.51808000\n_cell_angle_beta 89.98306000\n_cell_angle_gamma 79.07849000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.87078963\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31640461 0.79260325 0.15963308 1\n C C1 1 0.35812262 0.71479386 0.42235438 1\n C C2 1 -0.07142644 0.57306295 0.42091058 1\n C C3 1 0.31652926 0.79186158 0.68605516 1\n C C4 1 0.43161239 0.56342106 0.78563442 1\n C C5 1 0.97931342 0.46592768 0.66729786 1\n C C6 1 0.76004203 -0.09286342 0.07518292 1\n C C7 1 0.09395938 0.23423772 1.16375997 1\n C C8 1 0.97808620 0.46692527 0.17179777 1\n C C9 1 0.64579733 1.12893832 0.15632070 1\n C C10 1 0.64753105 0.12749670 0.68889188 1\n C C11 1 0.75962357 0.90690306 0.77106765 1\n C C12 1 0.43117787 0.56364225 0.05572428 1\n C C13 1 1.09592782 0.23288601 0.67903593 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.83213000\n_cell_length_b 4.58966000\n_cell_length_c 5.11726000\n_cell_angle_alpha 47.28955000\n_cell_angle_beta 60.20115000\n_cell_angle_gamma 50.21759000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.50569388\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88998060 0.06839786 0.67532298 1\n C C1 1 0.25773867 0.16554033 0.40273452 1\n C C2 1 0.90721833 0.98169621 0.02345282 1\n C C3 1 0.53899426 0.88478847 0.29596631 1\n C C4 1 0.01201467 0.64408075 0.73074921 1\n C C5 1 0.44035061 0.51833322 0.48859772 1\n C C6 1 0.35664459 0.53172347 0.21026199 1\n C C7 1 0.78547486 0.40575959 0.96819614 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51381000\n_cell_length_b 4.55326000\n_cell_length_c 6.50215000\n_cell_angle_alpha 72.09008000\n_cell_angle_beta 75.86466000\n_cell_angle_gamma 87.12149000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.64810680\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23860140 1.02695967 0.66426836 1\n C C1 1 0.84303174 0.49804242 0.82719850 1\n C C2 1 0.57110491 0.93237316 0.01600108 1\n C C3 1 0.33677072 1.00486047 0.42173569 1\n C C4 1 -0.10416994 0.46577300 0.26479374 1\n C C5 1 0.86104360 0.84594768 0.38346649 1\n C C6 1 0.16564147 0.38473848 0.63241539 1\n C C7 1 0.99301233 0.80571800 0.14878156 1\n C C8 1 0.75447809 0.50475007 0.49621518 1\n C C9 1 0.59187837 0.26761686 0.00474582 1\n C C10 1 0.71479221 0.85803089 0.79386470 1\n C C11 1 0.42446508 0.30554049 0.23233859 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42902000\n_cell_length_b 6.51337000\n_cell_length_c 5.99443000\n_cell_angle_alpha 93.22794000\n_cell_angle_beta 66.05261000\n_cell_angle_gamma 90.05049000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.51206209\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03161926 -0.01389552 0.31099647 1\n C C1 1 0.25005606 0.68039130 1.08964872 1\n C C2 1 0.13463755 0.61161865 0.70464149 1\n C C3 1 0.30022249 0.91361885 1.04072031 1\n C C4 1 0.17374790 0.83785447 0.66891424 1\n C C5 1 0.45073102 0.30586808 0.39065258 1\n C C6 1 0.94439772 0.97798922 0.89787705 1\n C C7 1 0.58282231 0.67039090 0.25643170 1\n C C8 1 -0.03937616 0.20972711 0.87866204 1\n C C9 1 -0.02430302 0.20534008 0.36510009 1\n C C10 1 0.48565552 0.54572614 0.85274583 1\n C C11 1 0.46287258 0.31534445 0.87585434 1\n C C12 1 0.43567477 0.88077393 0.40672560 1\n C C13 1 0.39200090 0.52282043 0.44775033 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46670000\n_cell_length_b 5.96687000\n_cell_length_c 6.23182000\n_cell_angle_alpha 123.15557000\n_cell_angle_beta 90.03367000\n_cell_angle_gamma 78.09009000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.42720120\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52314384 1.00465282 0.31712720 1\n C C1 1 0.31863000 0.40979693 0.90857328 1\n C C2 1 0.26491876 0.51925664 0.77059162 1\n C C3 1 0.86892126 0.31064606 0.95752405 1\n C C4 1 1.13288816 0.77936386 0.49643285 1\n C C5 1 1.02662465 -0.00466085 0.79070800 1\n C C6 1 0.45170711 0.14801356 0.18091383 1\n C C7 1 0.86510448 0.32122630 0.21706188 1\n C C8 1 0.71934886 0.60624797 0.46030518 1\n C C9 1 0.71514862 0.61729405 0.72043615 1\n C C10 1 0.06285113 0.92212934 0.36005200 1\n C C11 1 -0.44283158 0.93252163 0.88626617 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33082000\n_cell_length_b 4.82694000\n_cell_length_c 7.06171000\n_cell_angle_alpha 91.63119000\n_cell_angle_beta 121.18004000\n_cell_angle_gamma 68.10407000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.16900398\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93625970 0.37671408 0.84518303 1\n C C1 1 0.51535145 0.77651884 0.20706465 1\n C C2 1 0.50380352 0.79371693 0.00354472 1\n C C3 1 1.24803279 0.06308969 0.84496662 1\n C C4 1 -0.06714684 0.37959696 0.52693500 1\n C C5 1 0.74779781 0.56651662 0.64093534 1\n C C6 1 0.23482379 0.07950600 0.64094773 1\n C C7 1 0.00308846 0.28949259 0.20707696 1\n C C8 1 0.31654740 -0.01790931 0.31290585 1\n C C9 1 0.43338674 0.87370532 0.53523543 1\n C C10 1 0.81523884 0.47997077 0.00300833 1\n C C11 1 0.81787893 0.47714691 0.32088974 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42541000\n_cell_length_b 4.20615000\n_cell_length_c 4.86583000\n_cell_angle_alpha 89.62572000\n_cell_angle_beta 60.08328000\n_cell_angle_gamma 90.14120000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.02318854\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62854815 0.23549029 0.39154939 1\n C C1 1 0.56682736 0.80094696 0.95452142 1\n C C2 1 -0.02843719 0.21244477 0.54788258 1\n C C3 1 0.62516121 0.14976004 0.89532699 1\n C C4 1 1.03903308 0.64476554 -0.01802202 1\n C C5 1 0.97697549 0.29626829 0.04356573 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51298000\n_cell_length_b 3.62776000\n_cell_length_c 8.27858000\n_cell_angle_alpha 65.00955000\n_cell_angle_beta 81.63740000\n_cell_angle_gamma 70.11698000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.32791711\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70786184 0.18176205 0.78423119 1\n C C1 1 0.99291998 0.79422569 0.60545070 1\n C C2 1 0.79688618 0.69722217 0.08920660 1\n C C3 1 0.29841928 0.58944111 0.19528119 1\n C C4 1 0.80782508 0.28574897 0.47833154 1\n C C5 1 0.61582298 0.18782917 0.96260114 1\n C C6 1 0.98623878 0.44968829 0.96207026 1\n C C7 1 0.30567743 0.39407934 0.37170925 1\n C C8 1 -0.09965481 0.80025088 0.78395456 1\n C C9 1 0.62219556 0.53193382 0.60610116 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44299000\n_cell_length_b 4.24548000\n_cell_length_c 8.66849000\n_cell_angle_alpha 81.66501000\n_cell_angle_beta 89.98144000\n_cell_angle_gamma 90.01743000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 88.95702169\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19491862 -0.02812254 0.70148398 1\n C C1 1 0.69523133 0.56998839 0.16394070 1\n C C2 1 1.19530519 0.52483036 0.23990736 1\n C C3 1 0.69491456 0.48167378 0.66782560 1\n C C4 1 0.19563024 0.41910545 0.41205246 1\n C C5 1 0.19476732 0.62014116 0.73648900 1\n C C6 1 0.19596158 1.06388658 0.42709375 1\n C C7 1 0.69473017 0.67971465 0.99197090 1\n C C8 1 0.19470115 0.54361302 0.92257215 1\n C C9 1 0.19432693 0.19433502 0.97290619 1\n C C10 1 0.69420715 0.03430318 0.97861103 1\n C C11 1 -0.30506382 0.13127190 0.70182719 1\n C C12 1 0.69561978 0.55634585 0.48086977 1\n C C13 1 0.69587359 0.90407351 0.43092343 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.21301000\n_cell_length_b 3.28804000\n_cell_length_c 4.82469000\n_cell_angle_alpha 95.27209000\n_cell_angle_beta 109.92861000\n_cell_angle_gamma 111.55822000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.17008402\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.18449800 0.47572664 0.88878842 1\n C C1 1 0.20122127 0.85808428 0.88989571 1\n C C2 1 0.46970533 0.12687171 0.19288716 1\n C C3 1 0.25846838 -0.08544630 0.38791573 1\n C C4 1 0.41195205 1.07122482 0.69485155 1\n C C5 1 0.85429338 0.51035434 0.19389404 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49054000\n_cell_length_b 3.84755000\n_cell_length_c 7.21788000\n_cell_angle_alpha 89.35202000\n_cell_angle_beta 80.07553000\n_cell_angle_gamma 86.24202000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.98367631\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24493786 0.24846280 0.61487950 1\n C C1 1 -0.19907936 0.67816378 0.08777737 1\n C C2 1 0.69774697 0.36745119 0.72575053 1\n C C3 1 0.74698928 0.88967981 0.91750826 1\n C C4 1 0.80490020 0.74711841 0.72549893 1\n C C5 1 0.73334832 0.93367687 0.25803252 1\n C C6 1 0.17658987 0.43353855 0.42449360 1\n C C7 1 0.62787608 0.67811633 0.42434897 1\n C C8 1 0.55721832 0.22289696 0.91756420 1\n C C9 1 0.33369989 0.43312762 0.08791792 1\n C C10 1 0.36955443 0.86615427 0.61443295 1\n C C11 1 0.23061173 0.17722410 0.25829347 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46065000\n_cell_length_b 8.70103000\n_cell_length_c 8.37342000\n_cell_angle_alpha 49.38360000\n_cell_angle_beta 89.97820000\n_cell_angle_gamma 73.62532000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 126.37049399\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23934525 0.95851508 0.37080336 1\n C C1 1 0.42085256 0.28648256 0.98129956 1\n C C2 1 0.82158704 0.87601697 0.37053056 1\n C C3 1 -0.06616509 0.27329402 1.07206865 1\n C C4 1 0.46887345 0.23283755 0.35553561 1\n C C5 1 0.64388311 0.55421246 0.24471857 1\n C C6 1 -0.01416548 0.21889662 0.78213693 1\n C C7 1 1.02526346 0.17724867 0.30130762 1\n C C8 1 0.23463433 0.46327951 0.25821285 1\n C C9 1 0.29136250 0.72697355 0.80640709 1\n C C10 1 0.03892688 0.16553256 0.65548911 1\n C C11 1 0.45352047 0.25200505 0.83912093 1\n C C12 1 0.50598736 0.69461046 0.28153226 1\n C C13 1 0.95080867 0.74993121 0.31649362 1\n C C14 1 0.78948411 0.72885394 0.80877663 1\n C C15 1 0.53949848 0.16479319 0.57333496 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47547000\n_cell_length_b 4.87420000\n_cell_length_c 7.23900000\n_cell_angle_alpha 79.89335000\n_cell_angle_beta 69.98805000\n_cell_angle_gamma 59.44904000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.67800401\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41217244 0.61556598 0.89634126 1\n C C1 1 0.57059456 0.65370719 0.19842930 1\n C C2 1 0.22982893 0.79686605 0.39609552 1\n C C3 1 0.16085734 0.14228182 0.62063568 1\n C C4 1 0.31227599 0.48923903 0.12136445 1\n C C5 1 0.69368250 0.83474018 0.89581345 1\n C C6 1 0.76411252 0.48891364 0.67112927 1\n C C7 1 0.51161588 0.01571159 0.39556235 1\n C C8 1 0.35241004 0.97729698 0.09351296 1\n C C9 1 0.17601024 0.65374218 0.59407928 1\n C C10 1 0.74904515 -0.02267541 0.69766999 1\n C C11 1 0.61080032 0.14181088 0.17044298 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.06157000\n_cell_length_b 4.28523000\n_cell_length_c 4.58611000\n_cell_angle_alpha 114.02425000\n_cell_angle_beta 92.49202000\n_cell_angle_gamma 91.61884000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.74422859\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61584867 0.57256011 0.25188151 1\n C C1 1 -0.14225212 0.83943710 0.76280486 1\n C C2 1 0.61693662 1.05447492 0.73333794 1\n C C3 1 0.85686807 0.54221405 0.46593994 1\n C C4 1 0.47084769 0.88862626 0.41660989 1\n C C5 1 0.09732745 0.80753005 -0.02310678 1\n C C6 1 1.09657424 0.32597398 0.49452326 1\n C C7 1 0.21404050 0.01396778 0.29062815 1\n C C8 1 0.49949359 0.36641687 0.93765291 1\n C C9 1 0.24122378 0.49099097 0.81198173 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49091000\n_cell_length_b 4.35280000\n_cell_length_c 3.59303000\n_cell_angle_alpha 84.30225000\n_cell_angle_beta 110.30809000\n_cell_angle_gamma 106.61730000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00974286\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45794080 0.57273083 0.22286266 1\n C C1 1 0.89842559 1.19647889 0.48149901 1\n C C2 1 0.37528362 0.77849896 0.85282846 1\n C C3 1 0.98063934 -0.00927510 0.85253792 1\n C C4 1 0.08787003 0.57272573 0.48193332 1\n C C5 1 0.26978532 0.19685840 0.22257063 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44314000\n_cell_length_b 4.19923000\n_cell_length_c 6.30379000\n_cell_angle_alpha 73.37479000\n_cell_angle_beta 101.15852000\n_cell_angle_gamma 89.98262000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.69079870\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66646683 0.71599797 0.80521985 1\n C C1 1 0.21137554 0.52357299 0.89537244 1\n C C2 1 -0.11553634 0.25211898 0.24955004 1\n C C3 1 0.33207483 0.36686250 0.14443229 1\n C C4 1 0.19717665 0.19529188 0.85647721 1\n C C5 1 0.98544573 -0.00833152 0.45139086 1\n C C6 1 0.69227020 0.04253269 0.84680564 1\n C C7 1 0.53887865 0.87596101 0.55638026 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49167000\n_cell_length_b 3.59417000\n_cell_length_c 4.35165000\n_cell_angle_alpha 84.29512000\n_cell_angle_beta 106.62623000\n_cell_angle_gamma 110.31286000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01957205\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44315917 0.95466392 -0.00682609 1\n C C1 1 0.63129642 0.95464838 0.36940223 1\n C C2 1 0.15499840 0.58401373 0.78750704 1\n C C3 1 0.54887796 0.58400420 0.57506026 1\n C C4 1 0.26071719 0.21335401 0.36939339 1\n C C5 1 0.07257994 0.21336955 0.99316508 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54358000\n_cell_length_b 6.28459000\n_cell_length_c 6.63250000\n_cell_angle_alpha 87.89121000\n_cell_angle_beta 97.99202000\n_cell_angle_gamma 98.96037000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.69939957\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29230364 0.60115677 0.19754376 1\n C C1 1 0.97918442 0.57431261 0.69548707 1\n C C2 1 0.34534000 0.22906048 0.68545110 1\n C C3 1 0.43486780 0.92937699 0.93423155 1\n C C4 1 0.56522436 0.02818166 0.34755678 1\n C C5 1 0.98126640 1.02895359 0.02659323 1\n C C6 1 0.35766362 -0.01636589 0.71290069 1\n C C7 1 0.18386272 0.36133489 0.23552857 1\n C C8 1 -0.30099420 0.28377609 0.35440832 1\n C C9 1 0.83598094 0.33474837 0.58470463 1\n C C10 1 1.02221411 0.79101339 0.59420576 1\n C C11 1 0.84587061 0.71731063 0.20488909 1\n C C12 1 0.49363186 0.32995014 0.89767324 1\n C C13 1 0.50347497 0.69871652 1.00165439 1\n C C14 1 0.54637794 0.89336874 0.53876781 1\n C C15 1 1.03642386 0.26740728 0.01618689 1\n C C16 1 0.99636414 0.95416135 0.23932601 1\n C C17 1 0.52250303 0.55711318 0.83049782 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.87935000\n_cell_length_b 4.50631000\n_cell_length_c 4.02021000\n_cell_angle_alpha 97.78318000\n_cell_angle_beta 104.17367000\n_cell_angle_gamma 120.40200000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.87286432\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90475060 0.37543096 0.29265202 1\n C C1 1 0.73962603 0.70679287 0.79006144 1\n C C2 1 0.48913282 0.20707946 0.04054303 1\n C C3 1 0.40478532 0.37540022 0.79262548 1\n C C4 1 0.23960106 0.70682709 0.29008870 1\n C C5 1 0.65405626 0.87582187 0.54317215 1\n C C6 1 0.98913144 0.20710888 0.54058211 1\n C C7 1 0.15407967 0.87580644 0.04312898 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51946000\n_cell_length_b 3.51719000\n_cell_length_c 3.51727000\n_cell_angle_alpha 90.00374000\n_cell_angle_beta 90.00409000\n_cell_angle_gamma 90.00338000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.53891162\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97077917 0.25152323 -0.04594843 1\n C C1 1 0.47077917 0.75152323 -0.04594843 1\n C C2 1 0.72061123 0.00166237 0.70340263 1\n C C3 1 0.47077917 0.25152323 0.45405157 1\n C C4 1 -0.27938877 0.50166237 0.20340263 1\n C C5 1 0.22061123 0.00166237 0.20340263 1\n C C6 1 0.22061123 0.50166237 0.70340263 1\n C C7 1 -0.02922083 0.75152323 0.45405157 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46389000\n_cell_length_b 9.10659000\n_cell_length_c 7.32616000\n_cell_angle_alpha 111.61792000\n_cell_angle_beta 109.57704000\n_cell_angle_gamma 97.92098000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 137.43147554\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00002966 0.28040792 0.32752799 1\n C C1 1 0.07624159 0.09256217 -0.00014819 1\n C C2 1 0.79713297 0.19075395 0.67269623 1\n C C3 1 0.69350014 0.75776536 0.78066598 1\n C C4 1 0.11406689 0.65823343 0.75128236 1\n C C5 1 0.61819628 0.94403531 0.61209826 1\n C C6 1 0.22240484 0.65386114 0.36716440 1\n C C7 1 0.58965474 0.59566336 0.26324695 1\n C C8 1 0.36660508 0.22913637 0.21928468 1\n C C9 1 0.38484110 0.29490878 0.70797729 1\n C C10 1 0.85955940 -0.01523615 0.33331442 1\n C C11 1 0.50373140 1.02010834 0.46045848 1\n C C12 1 0.51036333 0.78754248 0.58422158 1\n C C13 1 0.61273208 0.92204160 0.11940318 1\n C C14 1 0.67605814 0.41814376 -0.06230169 1\n C C15 1 0.90900072 0.49524151 0.62961695 1\n C C16 1 0.29510245 0.39446119 0.56697500 1\n C C17 1 0.30667052 0.47461979 1.04138546 1\n C C18 1 -0.00959698 0.91796712 -0.00075595 1\n C C19 1 0.87670194 1.09066997 0.80135543 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44333000\n_cell_length_b 4.85808000\n_cell_length_c 6.36888000\n_cell_angle_alpha 110.72832000\n_cell_angle_beta 78.99611000\n_cell_angle_gamma 120.15181000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.12991394\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64416489 0.53412851 0.39393410 1\n C C1 1 0.67785186 0.21316413 0.68994546 1\n C C2 1 0.37099356 1.04975212 -0.02159849 1\n C C3 1 0.33064736 0.88751434 0.73144478 1\n C C4 1 1.08461294 0.42106688 0.28800843 1\n C C5 1 0.68123015 0.69321508 0.64159238 1\n C C6 1 0.33531012 0.36549601 0.67988046 1\n C C7 1 0.93320273 0.16465784 1.08338219 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41150000\n_cell_length_b 3.60687000\n_cell_length_c 7.13840000\n_cell_angle_alpha 107.50158000\n_cell_angle_beta 70.31230000\n_cell_angle_gamma 110.02714000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.70565387\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36524591 0.47905624 0.04177572 1\n C C1 1 0.89087818 1.00261974 0.27421080 1\n C C2 1 0.45617270 0.96931420 0.69779766 1\n C C3 1 0.28238898 0.06446803 0.91861324 1\n C C4 1 0.99982848 0.75832463 1.04488805 1\n C C5 1 1.03804154 0.92665727 0.59345230 1\n C C6 1 0.12007106 0.41865269 0.25420262 1\n C C7 1 0.21494216 0.84095910 0.37003330 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50337000\n_cell_length_b 4.28461000\n_cell_length_c 4.78133000\n_cell_angle_alpha 88.10999000\n_cell_angle_beta 81.87504000\n_cell_angle_gamma 65.04291000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.00863183\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78688611 0.06836149 0.01111939 1\n C C1 1 0.78947421 0.88263307 0.29427975 1\n C C2 1 -0.03058406 0.51383844 0.26540930 1\n C C3 1 0.16854954 0.79703067 0.76404706 1\n C C4 1 0.16462227 0.98289844 0.48017155 1\n C C5 1 0.09051805 0.30958985 0.00678125 1\n C C6 1 0.98145190 0.35214302 0.51026716 1\n C C7 1 0.86497149 0.55565542 0.76861484 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48186000\n_cell_length_b 3.68847000\n_cell_length_c 4.89534000\n_cell_angle_alpha 66.97661000\n_cell_angle_beta 59.50859000\n_cell_angle_gamma 70.34215000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99807294\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24317379 0.31681972 0.15499250 1\n C C1 1 0.55721002 0.83242759 0.58353436 1\n C C2 1 0.22711984 0.76215111 0.94856388 1\n C C3 1 0.51853451 0.91929280 0.07910597 1\n C C4 1 0.54092149 0.27796178 0.37717333 1\n C C5 1 0.26719666 0.67612200 0.45228148 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41285000\n_cell_length_b 3.58929000\n_cell_length_c 8.82627000\n_cell_angle_alpha 99.55686000\n_cell_angle_beta 90.13328000\n_cell_angle_gamma 69.88763000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.65785453\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83536736 0.20184538 0.34245484 1\n C C1 1 0.03385831 0.80618552 0.02312138 1\n C C2 1 0.50524135 0.86346039 0.10152577 1\n C C3 1 0.86882299 0.13390675 0.51659514 1\n C C4 1 0.61938127 0.63404100 0.35890176 1\n C C5 1 0.62255219 0.62908426 0.77897687 1\n C C6 1 1.09430999 -0.31344151 0.85842320 1\n C C7 1 0.45297608 0.96690238 0.27017072 1\n C C8 1 0.66682235 0.53639502 0.61239900 1\n C C9 1 0.50584301 0.85747992 0.51885013 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49059000\n_cell_length_b 3.58828000\n_cell_length_c 4.36058000\n_cell_angle_alpha 84.29530000\n_cell_angle_beta 73.40279000\n_cell_angle_gamma 69.70865000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02889793\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87538437 0.88180948 0.56521478 1\n C C1 1 -0.01961510 0.25220684 0.98351706 1\n C C2 1 0.79240538 0.25245741 0.35903556 1\n C C3 1 0.27007462 0.88158333 0.77716368 1\n C C4 1 0.35134662 0.51195122 0.98333170 1\n C C5 1 0.16238471 0.51251732 0.35893033 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53734000\n_cell_length_b 5.28588000\n_cell_length_c 5.28644000\n_cell_angle_alpha 132.47476000\n_cell_angle_beta 104.06671000\n_cell_angle_gamma 75.95727000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.42102901\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73483248 0.36090439 0.91584764 1\n C C1 1 0.15919649 0.93859022 0.34586815 1\n C C2 1 -0.00142378 0.07377394 0.16135801 1\n C C3 1 -0.12061317 0.69696581 0.53948728 1\n C C4 1 -0.12078361 0.37300078 0.21553712 1\n C C5 1 1.15892309 0.56629294 -0.02647378 1\n C C6 1 0.73517239 0.99623405 0.55116698 1\n C C7 1 0.99827111 0.75113537 0.83869510 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48145000\n_cell_length_b 3.73846000\n_cell_length_c 4.57625000\n_cell_angle_alpha 89.86082000\n_cell_angle_beta 57.24288000\n_cell_angle_gamma 89.97322000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.70162060\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.17666595 0.51449301 0.88676896 1\n C C1 1 1.11904508 0.78158424 0.59093658 1\n C C2 1 0.41410613 0.51542671 0.29602625 1\n C C3 1 0.32271989 0.27696853 0.88753137 1\n C C4 1 0.91325524 0.27826235 0.29714427 1\n C C5 1 0.61818811 0.01116206 0.59178087 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43242000\n_cell_length_b 4.86074000\n_cell_length_c 8.54826000\n_cell_angle_alpha 81.97277000\n_cell_angle_beta 90.04364000\n_cell_angle_gamma 120.19723000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.21259160\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76881030 0.32011413 0.44514628 1\n C C1 1 0.95218507 0.04010105 0.77656494 1\n C C2 1 0.19586436 0.77677927 0.10711515 1\n C C3 1 0.61837883 0.70694500 0.77656533 1\n C C4 1 0.43547976 0.48731321 0.44454161 1\n C C5 1 0.76881030 0.82011413 0.44514628 1\n C C6 1 0.95218507 0.54010105 0.77656494 1\n C C7 1 0.61837883 0.20694500 0.77656533 1\n C C8 1 0.52941813 0.10978489 0.10714340 1\n C C9 1 0.52941813 0.60978489 0.10714340 1\n C C10 1 0.19586436 0.27677927 0.10711515 1\n C C11 1 0.43547976 -0.01268679 0.44454161 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.21847000\n_cell_length_b 4.27601000\n_cell_length_c 4.79710000\n_cell_angle_alpha 78.19640000\n_cell_angle_beta 49.25529000\n_cell_angle_gamma 101.22850000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.90316303\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42144959 0.67868927 0.00999606 1\n C C1 1 0.80123237 0.67818879 0.62939867 1\n C C2 1 0.86260576 0.17690836 0.07176143 1\n C C3 1 0.46042445 0.37030971 0.66497530 1\n C C4 1 -0.15967587 0.36958464 0.28454396 1\n C C5 1 0.39830141 -0.12773946 0.22207529 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53308000\n_cell_length_b 3.86373000\n_cell_length_c 7.03747000\n_cell_angle_alpha 105.93210000\n_cell_angle_beta 110.72938000\n_cell_angle_gamma 89.93630000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.58907852\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44958632 0.21399560 0.19295739 1\n C C1 1 0.87626883 1.05058796 0.61124784 1\n C C2 1 0.50032961 0.60312002 0.73861816 1\n C C3 1 0.29776090 0.45627753 0.04247680 1\n C C4 1 -0.33853005 0.80797396 0.39652981 1\n C C5 1 0.50067840 1.00410945 0.73869198 1\n C C6 1 0.66431936 0.38690160 0.90635795 1\n C C7 1 0.66103818 0.45973151 0.39666824 1\n C C8 1 0.44964415 0.84986468 0.19258904 1\n C C9 1 0.87548380 0.42970360 0.61117320 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45442000\n_cell_length_b 4.77526000\n_cell_length_c 7.03155000\n_cell_angle_alpha 82.13219000\n_cell_angle_beta 98.14005000\n_cell_angle_gamma 100.75389000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.63140730\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15879962 0.99991778 0.47217685 1\n C C1 1 0.45113336 0.13674330 0.87025848 1\n C C2 1 0.59349365 0.22030035 0.20646847 1\n C C3 1 0.76314741 0.66179320 0.92940362 1\n C C4 1 1.03203244 0.79098412 0.32101715 1\n C C5 1 0.14040127 0.26991027 0.33595811 1\n C C6 1 0.65239487 0.65523254 0.70799242 1\n C C7 1 -0.28726004 0.96192543 0.59800829 1\n C C8 1 0.06825621 0.51192884 0.43113862 1\n C C9 1 0.05986911 0.49310242 0.64481208 1\n C C10 1 0.36316823 0.83142673 -0.01461750 1\n C C11 1 0.91462406 0.18168502 0.74069984 1\n C C12 1 -0.38562072 0.35350233 1.00953482 1\n C C13 1 0.49545574 0.88808196 0.19842176 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31793000\n_cell_length_b 3.51763000\n_cell_length_c 3.51796000\n_cell_angle_alpha 120.04812000\n_cell_angle_beta 89.99757000\n_cell_angle_gamma 90.00436000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54087489\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66860605 0.41491876 0.26411237 1\n C C1 1 0.83653363 0.87839758 0.49581015 1\n C C2 1 0.33665488 0.41531998 0.95985109 1\n C C3 1 0.16859660 0.87859716 0.19134017 1\n C C4 1 0.00299629 0.11072312 -0.04007175 1\n C C5 1 0.50297966 0.18316699 0.49587847 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29247000\n_cell_length_b 3.29339000\n_cell_length_c 7.25525000\n_cell_angle_alpha 105.85874000\n_cell_angle_beta 74.14586000\n_cell_angle_gamma 99.63234000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.43239430\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21848526 0.51363520 0.04130697 1\n C C1 1 0.71040323 0.33418978 0.41030310 1\n C C2 1 0.10646379 -0.09924133 0.60514677 1\n C C3 1 0.13963932 0.59413638 0.72183568 1\n C C4 1 0.85547575 0.15138878 0.04148147 1\n C C5 1 0.18603418 -0.17999904 -0.07482285 1\n C C6 1 0.61403008 0.08218510 0.23623782 1\n C C7 1 0.28833581 0.75502949 0.23603688 1\n C C8 1 0.77590025 0.22991942 0.72175734 1\n C C9 1 0.54890019 0.18239194 0.92498353 1\n C C10 1 1.03633228 0.65973290 0.41027078 1\n C C11 1 0.46953817 0.26364549 0.60513740 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51358000\n_cell_length_b 4.87234000\n_cell_length_c 5.83819000\n_cell_angle_alpha 86.70496000\n_cell_angle_beta 91.08050000\n_cell_angle_gamma 89.83392000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.36894311\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83207155 0.51662267 0.29680951 1\n C C1 1 0.81573410 1.06065901 0.73472217 1\n C C2 1 0.33554755 0.89604211 0.06512980 1\n C C3 1 1.32980417 0.59576126 0.14765860 1\n C C4 1 0.83856813 0.06608730 0.10835260 1\n C C5 1 -0.17502355 0.27455879 0.90275453 1\n C C6 1 0.83781976 0.20088162 0.32260739 1\n C C7 1 -0.17966062 0.68125394 0.52280730 1\n C C8 1 0.32408068 0.44298855 -0.09505624 1\n C C9 1 0.32262989 0.90382161 0.80794425 1\n C C10 1 0.32219090 0.64470083 0.68325795 1\n C C11 1 0.81391674 0.01893140 0.49521564 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.78563000\n_cell_length_b 5.37939000\n_cell_length_c 4.66326000\n_cell_angle_alpha 73.71081000\n_cell_angle_beta 81.46547000\n_cell_angle_gamma 60.07303000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.12733575\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59801390 1.00787618 0.16984888 1\n C C1 1 0.91355475 0.69101965 0.85394279 1\n C C2 1 0.60173380 0.00246175 0.85899796 1\n C C3 1 0.36369058 0.24478892 0.61592102 1\n C C4 1 0.07563113 0.52992793 0.14426709 1\n C C5 1 0.05020375 0.55593795 0.62161394 1\n C C6 1 0.36533773 0.23945574 0.30613544 1\n C C7 1 0.88794197 0.71750089 0.33134279 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48160000\n_cell_length_b 4.21524000\n_cell_length_c 3.68951000\n_cell_angle_alpha 104.77349000\n_cell_angle_beta 70.33613000\n_cell_angle_gamma 89.94945000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98246815\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97916527 0.93799180 -0.00729772 1\n C C1 1 1.20384946 0.73152134 0.54718460 1\n C C2 1 0.40097092 0.80722096 0.14952872 1\n C C3 1 0.52631834 0.43419655 0.90646598 1\n C C4 1 0.72321509 0.50967765 0.50885500 1\n C C5 1 -0.05202827 0.30342341 1.06327242 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31830000\n_cell_length_b 4.70357000\n_cell_length_c 5.74545000\n_cell_angle_alpha 52.05628000\n_cell_angle_beta 54.53071000\n_cell_angle_gamma 45.11592000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.35715957\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64661129 0.84095410 0.55443561 1\n C C1 1 0.88573857 0.80934917 0.72755498 1\n C C2 1 0.56257210 0.31987992 0.05760439 1\n C C3 1 0.95794491 0.18249073 0.57477188 1\n C C4 1 0.55595806 0.47835940 0.74093450 1\n C C5 1 0.91829508 0.85783172 0.22383337 1\n C C6 1 0.58419125 0.63730415 0.07103052 1\n C C7 1 -0.06679196 0.49605032 0.24423195 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06364000\n_cell_length_b 2.43153000\n_cell_length_c 7.28106000\n_cell_angle_alpha 119.99719000\n_cell_angle_beta 106.99613000\n_cell_angle_gamma 93.39152000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.52013623\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07895435 -0.01533027 -0.12898028 1\n C C1 1 0.08109660 0.65244266 -0.01717585 1\n C C2 1 1.07831366 0.98451592 0.53758138 1\n C C3 1 1.07988173 0.65222358 0.64933685 1\n C C4 1 1.08055306 0.65234054 0.31605692 1\n C C5 1 0.07952210 -0.01523474 0.20442667 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35303000\n_cell_length_b 4.57223000\n_cell_length_c 3.41097000\n_cell_angle_alpha 90.63025000\n_cell_angle_beta 92.12257000\n_cell_angle_gamma 68.57977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.64736470\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51491941 0.80435096 0.77909277 1\n C C1 1 0.28741429 0.59040109 0.94603675 1\n C C2 1 0.59230246 0.98473700 0.12530558 1\n C C3 1 0.61283172 0.30557781 0.13646230 1\n C C4 1 0.25628162 0.98468261 0.43222580 1\n C C5 1 0.95434938 0.58977852 0.61348166 1\n C C6 1 0.02692584 0.77917774 0.27923449 1\n C C7 1 0.91230549 0.30501207 0.42276975 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43555000\n_cell_length_b 6.58100000\n_cell_length_c 8.42243000\n_cell_angle_alpha 103.09792000\n_cell_angle_beta 89.99634000\n_cell_angle_gamma 89.98949000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 131.48561750\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85781953 0.00927622 0.51361722 1\n C C1 1 0.35839226 0.30128867 0.75894611 1\n C C2 1 0.35789697 -0.07594767 0.54962739 1\n C C3 1 0.85794889 0.57764184 0.34248015 1\n C C4 1 0.35818902 0.71719485 0.14327804 1\n C C5 1 0.35797533 0.49790690 0.38453144 1\n C C6 1 0.35868148 0.19871447 0.23171294 1\n C C7 1 0.85801534 0.68794762 0.21824432 1\n C C8 1 0.85861055 0.23178626 0.99054808 1\n C C9 1 0.85819150 0.22883066 0.49445362 1\n C C10 1 -0.14139452 0.74075537 0.89943934 1\n C C11 1 0.35853143 0.26126031 0.91561108 1\n C C12 1 0.85836311 0.76731657 0.73976936 1\n C C13 1 0.85837145 0.30034509 0.67598509 1\n C C14 1 0.35827810 0.80112631 0.66607931 1\n C C15 1 0.35826804 0.28292740 0.41277639 1\n C C16 1 0.35857940 0.73779073 0.98223120 1\n C C17 1 0.85869770 0.19334059 0.14793812 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56395000\n_cell_length_b 2.47935000\n_cell_length_c 5.73182000\n_cell_angle_alpha 102.44213000\n_cell_angle_beta 90.24362000\n_cell_angle_gamma 89.97967000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.58069794\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87650989 0.91949338 0.51024079 1\n C C1 1 0.87610558 0.34755075 0.36549169 1\n C C2 1 0.37214557 0.69065521 0.05025602 1\n C C3 1 0.37368070 0.26811849 0.20503947 1\n C C4 1 -0.12850075 1.03673010 0.74524452 1\n C C5 1 0.87088290 0.60933997 0.88939481 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46535000\n_cell_length_b 3.61456000\n_cell_length_c 9.22051000\n_cell_angle_alpha 115.78044000\n_cell_angle_beta 81.80169000\n_cell_angle_gamma 117.73108000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.30471808\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02035500 0.70588391 0.06045299 1\n C C1 1 0.22057153 -0.03769001 0.66024132 1\n C C2 1 0.44807980 0.62436488 0.28008874 1\n C C3 1 0.68003118 0.82591723 0.56367874 1\n C C4 1 0.33625798 0.25223248 0.81757297 1\n C C5 1 0.56206533 0.84387016 0.15756651 1\n C C6 1 0.49211702 0.31821619 0.44188180 1\n C C7 1 0.79516411 1.04531656 0.44093063 1\n C C8 1 0.75043786 0.35121303 0.27920331 1\n C C9 1 -0.09986462 0.41311997 0.90330209 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48400000\n_cell_length_b 4.99676000\n_cell_length_c 7.29563000\n_cell_angle_alpha 139.48147000\n_cell_angle_beta 99.76774000\n_cell_angle_gamma 89.99794000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.79116110\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35750872 0.08553381 0.59662683 1\n C C1 1 1.07734016 0.46474376 1.04359423 1\n C C2 1 0.57019911 0.98397286 1.03183215 1\n C C3 1 0.55004053 0.23883914 -0.01040450 1\n C C4 1 0.37703267 0.83055054 0.63870010 1\n C C5 1 0.21384648 0.94321679 0.31567957 1\n C C6 1 -0.01732655 0.72072747 0.85555179 1\n C C7 1 0.71219094 1.12623525 0.31269270 1\n C C8 1 0.85041322 0.60475477 0.58493838 1\n C C9 1 0.94506802 0.34873592 0.77295645 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49426000\n_cell_length_b 3.82718000\n_cell_length_c 6.86129000\n_cell_angle_alpha 77.67924000\n_cell_angle_beta 79.61987000\n_cell_angle_gamma 109.03466000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.23620471\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03128876 0.38249052 0.86290498 1\n C C1 1 0.26659880 0.83034022 0.71650434 1\n C C2 1 0.13677147 0.37907724 0.52234304 1\n C C3 1 0.20208820 0.31990790 0.33639161 1\n C C4 1 0.89012334 1.08749975 0.72333415 1\n C C5 1 0.37036777 0.31627118 0.99586197 1\n C C6 1 0.99039854 0.92527390 0.36059557 1\n C C7 1 0.44908275 0.61140632 0.13537771 1\n C C8 1 0.34912962 0.77380404 0.49808143 1\n C C9 1 0.07290788 0.86864763 0.14222399 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48175000\n_cell_length_b 3.74222000\n_cell_length_c 3.84727000\n_cell_angle_alpha 89.92876000\n_cell_angle_beta 89.94661000\n_cell_angle_gamma 90.00453000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.73053232\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06660053 0.77762071 0.27693171 1\n C C1 1 0.56675565 0.27378988 -0.01788544 1\n C C2 1 0.06679313 0.51129556 0.98182250 1\n C C3 1 0.56663319 1.00709191 0.27724840 1\n C C4 1 0.56662319 0.27332195 0.57243940 1\n C C5 1 1.06666620 0.51087819 0.57216843 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47409000\n_cell_length_b 3.69706000\n_cell_length_c 6.25455000\n_cell_angle_alpha 75.05287000\n_cell_angle_beta 78.54765000\n_cell_angle_gamma 89.94595000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.09688218\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52311694 0.83182415 0.41975705 1\n C C1 1 -0.04910648 0.86197409 0.56324442 1\n C C2 1 0.18120776 0.27967116 0.10377440 1\n C C3 1 0.95091397 0.26927862 0.56270793 1\n C C4 1 0.85785995 0.48555731 0.74723110 1\n C C5 1 0.61420749 0.20812555 0.23749816 1\n C C6 1 0.29031930 0.41742739 0.88123615 1\n C C7 1 0.52222296 0.42401384 0.42114360 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45409000\n_cell_length_b 3.33009000\n_cell_length_c 7.90949000\n_cell_angle_alpha 111.48821000\n_cell_angle_beta 107.47475000\n_cell_angle_gamma 69.22256000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.14611990\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06065913 0.75520421 0.30662517 1\n C C1 1 1.11335476 1.03064871 0.49545511 1\n C C2 1 0.53892238 0.62127600 0.21690691 1\n C C3 1 0.63449653 0.16536843 0.58494681 1\n C C4 1 0.99155420 0.13991475 0.93007304 1\n C C5 1 0.18053337 0.65220813 0.87171220 1\n C C6 1 0.46062120 0.38387388 1.02008447 1\n C C7 1 0.71109232 0.40766989 0.78152309 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33099000\n_cell_length_b 4.61282000\n_cell_length_c 8.91458000\n_cell_angle_alpha 75.09935000\n_cell_angle_beta 79.48632000\n_cell_angle_gamma 45.35070000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 94.16970729\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78372179 0.75281501 0.67564080 1\n C C1 1 0.81398397 -0.16251860 0.82262108 1\n C C2 1 0.47743342 1.10244810 0.41180764 1\n C C3 1 0.47007319 0.42637393 0.31831675 1\n C C4 1 0.32387083 0.52593871 0.57999942 1\n C C5 1 0.48160876 0.98033643 0.16864763 1\n C C6 1 0.81954784 0.58285539 0.96853947 1\n C C7 1 0.81933600 0.24302514 -0.03329122 1\n C C8 1 0.16636024 1.07614553 0.32606588 1\n C C9 1 0.81850032 0.13829491 0.81883939 1\n C C10 1 0.15611560 0.64445057 0.16630701 1\n C C11 1 0.31949523 0.36150557 0.06751340 1\n C C12 1 0.35026499 0.16925268 0.57870350 1\n C C13 1 0.31608016 -0.13604636 0.06879046 1\n C C14 1 0.15446415 0.75324426 0.41257171 1\n C C15 1 0.78297960 0.40274653 0.66626937 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.54466000\n_cell_length_b 3.54441000\n_cell_length_c 7.88260000\n_cell_angle_alpha 74.60032000\n_cell_angle_beta 69.15797000\n_cell_angle_gamma 67.57474000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 84.58374893\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88090949 0.37232320 0.31991819 1\n C C1 1 0.38917722 0.50125410 0.05854676 1\n C C2 1 1.00492630 -0.26389940 0.20835222 1\n C C3 1 0.26103638 0.25288390 0.82023535 1\n C C4 1 0.01008178 0.24108066 0.70834907 1\n C C5 1 0.51899106 0.36884374 0.44562379 1\n C C6 1 -0.19210767 0.72951877 0.63355989 1\n C C7 1 0.69904848 0.75204102 0.98150044 1\n C C8 1 0.17915295 0.96822901 0.28570967 1\n C C9 1 0.13866622 0.48925439 0.94598964 1\n C C10 1 0.59101425 1.01328786 0.13362987 1\n C C11 1 0.39486725 0.00623442 0.55847753 1\n C C12 1 0.22110893 0.77308419 0.48133908 1\n C C13 1 0.69999156 -0.01060087 0.78584822 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47583000\n_cell_length_b 4.18357000\n_cell_length_c 4.79132000\n_cell_angle_alpha 115.85729000\n_cell_angle_beta 90.00387000\n_cell_angle_gamma 89.99439000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.65901585\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67124573 1.00353838 0.67105487 1\n C C1 1 0.67051529 0.63380065 0.67053094 1\n C C2 1 0.17111076 0.05606973 0.51585121 1\n C C3 1 0.17035170 0.87719672 0.15866937 1\n C C4 1 0.16960600 0.24693691 0.15834051 1\n C C5 1 0.66967094 0.30038135 1.00409903 1\n C C6 1 0.17036468 0.42592509 0.51552979 1\n C C7 1 0.67043160 0.66982267 0.00448928 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36778000\n_cell_length_b 2.43258000\n_cell_length_c 7.79062000\n_cell_angle_alpha 108.41082000\n_cell_angle_beta 106.49696000\n_cell_angle_gamma 89.65052000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.81866909\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.22042674 0.32367283 0.46031160 1\n C C1 1 0.72033968 0.07381379 0.71033793 1\n C C2 1 1.05420710 0.73960664 0.37674913 1\n C C3 1 0.05407853 0.23966304 0.87676808 1\n C C4 1 0.55409811 0.48964509 0.62676518 1\n C C5 1 -0.27952733 0.57363773 0.21028428 1\n C C6 1 0.22041545 0.82377324 0.96032274 1\n C C7 1 0.55421723 0.98955224 0.12672987 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47555000\n_cell_length_b 4.84111000\n_cell_length_c 6.89220000\n_cell_angle_alpha 99.63380000\n_cell_angle_beta 100.35254000\n_cell_angle_gamma 120.75564000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.46188530\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21808475 0.21922887 0.61526048 1\n C C1 1 0.15509813 -0.06143568 0.05075641 1\n C C2 1 0.67017577 0.00915160 0.94032713 1\n C C3 1 -0.04880534 0.40093027 0.71851715 1\n C C4 1 0.87577244 0.54759113 0.27281680 1\n C C5 1 0.60944896 0.72963484 0.37666804 1\n C C6 1 0.84698167 0.84875328 0.61524281 1\n C C7 1 0.78138732 0.56443324 0.05074013 1\n C C8 1 0.50627399 0.17850147 0.27287709 1\n C C9 1 0.98013260 0.10015356 0.37667546 1\n C C10 1 1.04533027 0.38341821 -0.05964470 1\n C C11 1 0.31970274 0.76977051 0.71844831 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.21169000\n_cell_length_b 3.98766000\n_cell_length_c 4.57624000\n_cell_angle_alpha 82.99785000\n_cell_angle_beta 79.72010000\n_cell_angle_gamma 71.02371000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.34465717\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42683222 1.01888571 0.40188666 1\n C C1 1 0.62714501 0.61676947 1.00392473 1\n C C2 1 0.02681750 0.81878939 0.20185441 1\n C C3 1 0.82667080 0.21761979 0.60345136 1\n C C4 1 0.95990117 0.61965896 0.00201896 1\n C C5 1 0.56007088 0.41889744 0.80301050 1\n C C6 1 0.15985166 0.22031270 0.60170260 1\n C C7 1 0.35960875 0.82172381 0.20000787 1\n C C8 1 0.75992881 1.02152717 0.40016824 1\n C C9 1 0.22711110 0.41606566 0.80477256 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49070000\n_cell_length_b 3.59253000\n_cell_length_c 4.35367000\n_cell_angle_alpha 84.32333000\n_cell_angle_beta 73.41420000\n_cell_angle_gamma 69.71622000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02014931\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74181916 0.31256219 0.00601546 1\n C C1 1 -0.06920883 0.31252043 0.62994845 1\n C C2 1 0.30007180 0.57262156 0.63011350 1\n C C3 1 0.11242407 0.57235899 1.00593830 1\n C C4 1 0.21704683 0.94246797 0.42419766 1\n C C5 1 0.82269637 0.94235356 0.21199763 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.57279000\n_cell_length_b 7.21436000\n_cell_length_c 4.18698000\n_cell_angle_alpha 95.76750000\n_cell_angle_beta 106.31989000\n_cell_angle_gamma 120.38292000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.51576607\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85290320 0.04426420 0.54222593 1\n C C1 1 0.58978008 0.45313896 0.73272919 1\n C C2 1 0.95073964 0.65457723 0.66122195 1\n C C3 1 0.47235192 0.24106634 0.19103481 1\n C C4 1 0.39523354 0.85205186 0.27545454 1\n C C5 1 0.01111985 0.02044239 -0.10524318 1\n C C6 1 0.33599059 -0.12424176 -0.07288564 1\n C C7 1 1.01268430 0.64844456 0.33680301 1\n C C8 1 0.12105771 0.24856555 0.43254217 1\n C C9 1 0.67369099 0.44436077 0.07205462 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27322000\n_cell_length_b 3.26937000\n_cell_length_c 3.62938000\n_cell_angle_alpha 75.56702000\n_cell_angle_beta 75.53371000\n_cell_angle_gamma 80.85472000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22694694\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69687819 0.43562511 0.49260528 1\n C C1 1 0.75032069 0.16753027 0.87421552 1\n C C2 1 -0.03634073 0.38106550 0.11136433 1\n C C3 1 0.32477725 0.02034831 1.11099214 1\n C C4 1 0.37942285 0.75247779 0.49204101 1\n C C5 1 0.11076455 0.80665143 0.87391381 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47507000\n_cell_length_b 3.72241000\n_cell_length_c 4.24682000\n_cell_angle_alpha 64.04622000\n_cell_angle_beta 89.99941000\n_cell_angle_gamma 89.99887000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18085836\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73781803 0.70475456 0.87680450 1\n C C1 1 0.23758340 0.68572386 0.09966972 1\n C C2 1 0.73786749 0.13957546 0.59893608 1\n C C3 1 0.23780804 0.09370598 0.09975604 1\n C C4 1 0.23782799 0.25079125 0.37760387 1\n C C5 1 0.73790994 0.29682798 0.87680570 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.53673000\n_cell_length_b 4.81595000\n_cell_length_c 5.02736000\n_cell_angle_alpha 51.58081000\n_cell_angle_beta 62.52154000\n_cell_angle_gamma 62.55424000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.62174806\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07794089 0.12185231 1.29320419 1\n C C1 1 0.76577078 -0.01561176 0.16374033 1\n C C2 1 0.08839956 0.63484628 0.18755974 1\n C C3 1 0.16372309 0.27369343 0.51888565 1\n C C4 1 0.71760954 0.24246561 0.77099168 1\n C C5 1 0.53415043 0.71474909 0.90749810 1\n C C6 1 0.56167984 1.10494858 0.64123054 1\n C C7 1 0.39571807 0.59207747 0.74693827 1\n C C8 1 0.31965218 -0.04705085 0.41575593 1\n C C9 1 -0.04986689 0.51210934 0.02674176 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48989000\n_cell_length_b 3.56841000\n_cell_length_c 10.65541000\n_cell_angle_alpha 99.15387000\n_cell_angle_beta 83.91114000\n_cell_angle_gamma 85.90813000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.56366581\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24826838 0.07117823 0.11782965 1\n C C1 1 0.11532378 0.19017249 0.35326635 1\n C C2 1 0.61259835 0.44052688 0.35323633 1\n C C3 1 0.48682163 0.54777224 0.58341854 1\n C C4 1 0.67731011 0.63327689 0.23419069 1\n C C5 1 0.45679198 0.82139522 0.99318410 1\n C C6 1 0.96047931 0.36632952 0.73319515 1\n C C7 1 0.55323811 0.75292631 0.47209448 1\n C C8 1 1.00147379 0.30846935 0.58330723 1\n C C9 1 0.04739644 -0.00638681 0.47207987 1\n C C10 1 1.17033841 0.87998800 0.23422577 1\n C C11 1 -0.37204282 0.44977038 0.99301400 1\n C C12 1 0.71341124 0.32624201 0.11766982 1\n C C13 1 0.58861602 1.08752213 0.89910344 1\n C C14 1 0.13095215 0.04299628 0.81302113 1\n C C15 1 0.37968902 0.64008270 0.73325533 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47690000\n_cell_length_b 5.94256000\n_cell_length_c 4.92704000\n_cell_angle_alpha 65.51543000\n_cell_angle_beta 59.79773000\n_cell_angle_gamma 77.95660000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.04087172\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05853116 0.15074465 0.83221183 1\n C C1 1 0.05794790 0.19125314 0.31285429 1\n C C2 1 1.05880723 0.90650403 0.45398308 1\n C C3 1 0.58312010 0.52830628 0.62008184 1\n C C4 1 0.05760928 0.86551711 0.97594368 1\n C C5 1 0.73178496 0.78487279 0.84213923 1\n C C6 1 0.71584988 0.26208326 0.61967824 1\n C C7 1 0.71555338 0.79439220 0.35352073 1\n C C8 1 -0.26824248 0.27249841 0.09854930 1\n C C9 1 -0.13193570 0.52843603 0.83531468 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48143000\n_cell_length_b 3.68782000\n_cell_length_c 4.22012000\n_cell_angle_alpha 104.96099000\n_cell_angle_beta 89.98397000\n_cell_angle_gamma 70.35485000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97655427\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21056781 0.45951874 0.78449966 1\n C C1 1 0.40946927 0.06219817 0.86038088 1\n C C2 1 -0.01237282 0.90562220 0.99107516 1\n C C3 1 0.53488615 0.81571458 0.48626859 1\n C C4 1 -0.04385253 0.97301033 0.35592714 1\n C C5 1 0.73132182 0.41903158 0.56268276 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.14468000\n_cell_length_b 4.16384000\n_cell_length_c 4.83944000\n_cell_angle_alpha 60.61221000\n_cell_angle_beta 84.90580000\n_cell_angle_gamma 87.78317000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.48218958\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32643733 -0.01899560 0.47241054 1\n C C1 1 0.56918250 0.22471744 0.25859763 1\n C C2 1 0.08333960 0.73924869 0.50007292 1\n C C3 1 0.32529410 0.98277004 0.76827502 1\n C C4 1 0.71606824 0.37462007 0.42324782 1\n C C5 1 0.08213580 0.73953212 -0.01863343 1\n C C6 1 0.56802508 0.22584169 0.73921219 1\n C C7 1 0.67936927 0.33741464 -0.05742883 1\n C C8 1 0.93510733 0.59029993 0.81617993 1\n C C9 1 -0.02812545 0.62720298 0.29704082 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.10547000\n_cell_length_b 4.65957000\n_cell_length_c 4.66886000\n_cell_angle_alpha 58.39402000\n_cell_angle_beta 81.70588000\n_cell_angle_gamma 95.37089000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.73800543\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45123399 0.38547587 0.22482900 1\n C C1 1 0.03017399 0.49100196 0.70341737 1\n C C2 1 0.65344515 0.35141443 0.45612489 1\n C C3 1 1.00850431 0.95734087 0.21213046 1\n C C4 1 0.46579848 0.71757594 0.90214254 1\n C C5 1 0.66764456 0.04127428 0.77563556 1\n C C6 1 -0.09190465 0.14542324 0.91594502 1\n C C7 1 0.88055600 0.61259901 0.42760449 1\n C C8 1 0.24872857 0.06158700 0.35207520 1\n C C9 1 0.26126830 0.75179221 0.67261357 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41111000\n_cell_length_b 3.60809000\n_cell_length_c 8.20749000\n_cell_angle_alpha 60.19053000\n_cell_angle_beta 98.21905000\n_cell_angle_gamma 69.98117000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.74522015\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05775131 0.30019861 0.17043947 1\n C C1 1 0.57236750 0.36694254 0.26609609 1\n C C2 1 0.70932980 0.76959284 0.94162613 1\n C C3 1 0.73694452 0.58993080 0.81491930 1\n C C4 1 0.06712286 0.05249553 0.93835683 1\n C C5 1 0.46912303 0.90586143 0.59393490 1\n C C6 1 0.24592538 0.90368826 0.15064940 1\n C C7 1 0.84321799 0.05331219 0.48952779 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45172000\n_cell_length_b 5.15524000\n_cell_length_c 8.58623000\n_cell_angle_alpha 104.16513000\n_cell_angle_beta 73.41223000\n_cell_angle_gamma 90.03833000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 100.56442745\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95236595 -0.06381791 0.63249055 1\n C C1 1 1.12632038 0.35489160 0.45687314 1\n C C2 1 0.47450983 0.86925599 0.10807438 1\n C C3 1 0.42710740 0.46569869 0.15622146 1\n C C4 1 0.77879973 -0.01172971 0.80847786 1\n C C5 1 0.19279847 1.01560288 0.89457370 1\n C C6 1 -0.04735048 0.41335667 0.63315447 1\n C C7 1 0.36365308 0.45063123 0.72269898 1\n C C8 1 0.59230516 0.56794302 0.99369215 1\n C C9 1 0.00622925 0.02022606 0.07739744 1\n C C10 1 0.71145167 0.32792004 0.37114658 1\n C C11 1 0.19209559 0.50574056 0.89449457 1\n C C12 1 0.30968338 0.76839963 0.27146386 1\n C C13 1 0.71108465 0.82957067 0.37060759 1\n C C14 1 -0.10548393 0.31566323 0.18771275 1\n C C15 1 0.54124489 0.89702525 0.54278623 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47939000\n_cell_length_b 7.61980000\n_cell_length_c 6.70080000\n_cell_angle_alpha 116.43887000\n_cell_angle_beta 99.53489000\n_cell_angle_gamma 80.70814000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 111.23522290\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50714691 0.13426033 0.14499469 1\n C C1 1 -0.14043672 0.77694322 0.43360580 1\n C C2 1 0.98518979 0.88158916 0.82272556 1\n C C3 1 -0.13900793 0.96668405 0.64191895 1\n C C4 1 0.73029316 0.40457494 0.84519946 1\n C C5 1 0.25536602 0.28371310 0.76447483 1\n C C6 1 -0.07922414 0.43776094 0.26986200 1\n C C7 1 0.52909222 -0.06859716 0.97309562 1\n C C8 1 0.76544938 0.71044010 0.20125159 1\n C C9 1 0.63708228 0.76546363 0.03088494 1\n C C10 1 0.31327792 0.08688305 0.67307088 1\n C C11 1 0.61693069 0.59352226 0.80373519 1\n C C12 1 0.04756631 0.64563868 0.70505478 1\n C C13 1 -0.01368235 0.22958955 0.20617659 1\n C C14 1 0.95629347 0.60721028 0.47133094 1\n C C15 1 0.80630718 0.50068536 0.10093179 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42780000\n_cell_length_b 4.16943000\n_cell_length_c 8.29898000\n_cell_angle_alpha 116.36824000\n_cell_angle_beta 107.00848000\n_cell_angle_gamma 90.04444000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.13220139\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48410095 0.41845266 0.27271628 1\n C C1 1 0.83111771 1.01321117 0.61457508 1\n C C2 1 0.27204478 0.46568497 0.55569731 1\n C C3 1 0.06542112 0.76920613 0.85406664 1\n C C4 1 0.06503797 0.39080203 0.35239377 1\n C C5 1 0.64611613 -0.25878579 -0.06644651 1\n C C6 1 0.34779966 0.53728751 0.13239944 1\n C C7 1 0.30441754 0.14645846 0.59035837 1\n C C8 1 0.78988391 0.62374657 0.07459370 1\n C C9 1 -0.13273008 0.69555548 0.65095833 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47805000\n_cell_length_b 2.47804000\n_cell_length_c 6.31130000\n_cell_angle_alpha 78.67529000\n_cell_angle_beta 89.97223000\n_cell_angle_gamma 59.96298000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67865766\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90219230 0.29756818 0.37486170 1\n C C1 1 0.59734964 0.90825624 0.45806037 1\n C C2 1 0.68111380 0.74056951 0.70908821 1\n C C3 1 0.04156681 0.01821548 0.79336605 1\n C C4 1 0.12358809 0.85186305 0.04443995 1\n C C5 1 0.81811576 0.46297074 0.12778832 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43089000\n_cell_length_b 4.08102000\n_cell_length_c 6.51448000\n_cell_angle_alpha 72.24662000\n_cell_angle_beta 71.63948000\n_cell_angle_gamma 92.67919000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.68250333\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19917141 0.39778500 0.49853312 1\n C C1 1 0.94880979 0.89803743 0.24884406 1\n C C2 1 0.28050633 0.56661496 -0.08308251 1\n C C3 1 0.44892194 0.89784557 0.74872277 1\n C C4 1 0.03106288 0.06610335 0.66623398 1\n C C5 1 0.78109339 0.56623663 0.41634148 1\n C C6 1 0.69844700 0.39831038 -0.00072728 1\n C C7 1 0.53061447 0.06652517 0.16674078 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48758000\n_cell_length_b 4.76138000\n_cell_length_c 5.29295000\n_cell_angle_alpha 116.49809000\n_cell_angle_beta 89.97574000\n_cell_angle_gamma 121.50796000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.55392821\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01850719 0.36699595 0.01959150 1\n C C1 1 0.55460920 0.94058758 0.79479578 1\n C C2 1 0.46912205 0.35483562 0.44173170 1\n C C3 1 1.06624286 0.95261614 0.37262837 1\n C C4 1 0.05597644 0.44157519 0.32735550 1\n C C5 1 0.71152419 0.59684322 0.02455001 1\n C C6 1 0.82456471 0.71060945 0.78980595 1\n C C7 1 0.47950674 0.86597585 0.48705317 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48009000\n_cell_length_b 3.68748000\n_cell_length_c 4.84118000\n_cell_angle_alpha 111.42899000\n_cell_angle_beta 104.90554000\n_cell_angle_gamma 109.63047000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98337224\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91092597 0.10519089 0.79885513 1\n C C1 1 -0.10550006 0.86597658 1.00519366 1\n C C2 1 0.59769062 0.04891203 0.22720546 1\n C C3 1 0.58155836 0.80992276 0.43387477 1\n C C4 1 0.87261560 0.52238015 0.30295475 1\n C C5 1 0.62063570 0.39307178 -0.07010388 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48804000\n_cell_length_b 5.55843000\n_cell_length_c 4.30442000\n_cell_angle_alpha 130.20842000\n_cell_angle_beta 90.01268000\n_cell_angle_gamma 77.06109000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.46660199\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27883879 0.65147108 0.42884939 1\n C C1 1 0.84114761 0.52655743 0.49134059 1\n C C2 1 0.52852406 0.15138243 0.67962754 1\n C C3 1 1.02863287 0.15136984 1.17961391 1\n C C4 1 0.34103880 0.52657002 0.99135423 1\n C C5 1 0.09083288 1.02646878 0.74211875 1\n C C6 1 0.77874785 0.65146946 0.92884497 1\n C C7 1 0.59092382 1.02647040 0.24212317 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49857000\n_cell_length_b 5.85917000\n_cell_length_c 8.05532000\n_cell_angle_alpha 65.60995000\n_cell_angle_beta 75.18864000\n_cell_angle_gamma 87.65124000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.55359123\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11973985 0.02012885 0.36710823 1\n C C1 1 -0.09745353 0.19519310 0.56854486 1\n C C2 1 0.11528383 0.27801631 0.35730745 1\n C C3 1 0.30665920 0.84494291 0.84623734 1\n C C4 1 0.72443504 0.91696577 0.92962332 1\n C C5 1 0.63849957 0.64127995 0.46737749 1\n C C6 1 0.70213899 0.42547527 0.60564142 1\n C C7 1 0.36241811 0.55110693 0.92288429 1\n C C8 1 0.53861148 0.89369263 0.47773545 1\n C C9 1 0.80143140 0.18230134 0.08036092 1\n C C10 1 0.79459044 0.44658418 0.05029924 1\n C C11 1 0.46719641 0.36432410 0.80685401 1\n C C12 1 0.77252190 0.66972281 0.26014502 1\n C C13 1 0.39281963 0.01320439 0.63246915 1\n C C14 1 0.69498853 0.42126394 0.25692655 1\n C C15 1 0.37120456 0.81123313 0.15360198 1\n C C16 1 0.88693077 0.19888083 0.88975415 1\n C C17 1 1.25571814 1.04747747 0.17360972 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.86107000\n_cell_length_b 5.12918000\n_cell_length_c 4.80942000\n_cell_angle_alpha 70.85840000\n_cell_angle_beta 69.89752000\n_cell_angle_gamma 64.38984000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.41116761\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84368170 0.73600740 0.63942138 1\n C C1 1 0.97081173 0.89726160 0.34934554 1\n C C2 1 0.84271672 0.18627942 0.18791577 1\n C C3 1 0.16192199 0.18144260 -0.12310834 1\n C C4 1 0.47807497 0.42025043 0.32249960 1\n C C5 1 0.16016582 0.42492939 0.63458436 1\n C C6 1 0.34996226 0.70944026 0.16179207 1\n C C7 1 0.47742681 0.87075370 0.87183542 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48129000\n_cell_length_b 3.68629000\n_cell_length_c 6.24283000\n_cell_angle_alpha 139.28982000\n_cell_angle_beta 78.53119000\n_cell_angle_gamma 109.65811000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.92594290\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73663902 0.75431110 0.26464490 1\n C C1 1 0.15884227 0.72963820 0.39590568 1\n C C2 1 0.61922258 0.14242837 0.89272272 1\n C C3 1 0.93930657 0.07893921 0.19024909 1\n C C4 1 0.19787666 0.16853182 0.76148258 1\n C C5 1 0.42052840 -0.18121871 -0.03218537 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46941000\n_cell_length_b 3.23159000\n_cell_length_c 5.19037000\n_cell_angle_alpha 90.03293000\n_cell_angle_beta 89.98842000\n_cell_angle_gamma 112.44477000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.28214101\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46707333 0.29694776 0.66385129 1\n C C1 1 0.46716266 0.29742568 0.10237100 1\n C C2 1 -0.03312698 0.29723471 0.25509179 1\n C C3 1 0.64904543 0.65888947 -0.11637294 1\n C C4 1 0.28783429 0.93637334 0.88362547 1\n C C5 1 -0.03310492 0.29674633 0.51118870 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49116000\n_cell_length_b 4.35533000\n_cell_length_c 3.59282000\n_cell_angle_alpha 84.31768000\n_cell_angle_beta 69.69173000\n_cell_angle_gamma 73.40880000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.03627794\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94176012 0.23162305 0.93665430 1\n C C1 1 1.04639887 0.64991822 0.30709983 1\n C C2 1 0.65203208 0.43776494 0.30728521 1\n C C3 1 0.75964128 0.85575706 0.67771093 1\n C C4 1 0.57035880 0.23186304 0.67795386 1\n C C5 1 0.12957715 0.85580070 0.93658907 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48532000\n_cell_length_b 4.78194000\n_cell_length_c 6.56079000\n_cell_angle_alpha 45.46554000\n_cell_angle_beta 79.03209000\n_cell_angle_gamma 58.65497000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.47569750\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88440806 -0.04249426 0.36814095 1\n C C1 1 0.30651297 0.41984217 0.59995093 1\n C C2 1 0.78255322 0.23010477 0.02722578 1\n C C3 1 0.36907998 0.70107188 0.91201504 1\n C C4 1 0.40903349 0.14671905 -0.05906934 1\n C C5 1 1.15918802 0.18155901 0.37028264 1\n C C6 1 0.82170878 0.67607194 0.05591087 1\n C C7 1 0.03196487 0.19575455 0.59780892 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46698000\n_cell_length_b 3.71990000\n_cell_length_c 12.62561000\n_cell_angle_alpha 92.51530000\n_cell_angle_beta 89.99690000\n_cell_angle_gamma 89.94106000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 115.75250649\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65062406 0.75076085 1.05818336 1\n C C1 1 0.14786659 0.91061974 0.50788080 1\n C C2 1 0.65004689 0.59320578 0.36790159 1\n C C3 1 0.64966786 0.79632802 0.76087571 1\n C C4 1 0.14970253 0.01232942 0.91331566 1\n C C5 1 0.64779531 0.66067033 0.65018495 1\n C C6 1 0.15088102 0.64487524 0.10500178 1\n C C7 1 0.64909878 0.18501092 0.76176378 1\n C C8 1 0.15139342 0.51373802 0.20504611 1\n C C9 1 0.64705175 0.28736397 0.64923712 1\n C C10 1 0.14975437 0.69888715 0.82430296 1\n C C11 1 0.65132938 0.49973845 0.26145579 1\n C C12 1 0.14923475 0.29914033 0.82736517 1\n C C13 1 0.64993988 -0.03521752 0.97368104 1\n C C14 1 0.64730935 -0.03717877 0.57236922 1\n C C15 1 0.14956596 0.69428507 0.41840385 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27249000\n_cell_length_b 3.63161000\n_cell_length_c 3.27211000\n_cell_angle_alpha 104.48155000\n_cell_angle_beta 99.19057000\n_cell_angle_gamma 75.51176000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25790708\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25116696 0.86036255 0.14640168 1\n C C1 1 0.83653147 0.47869209 0.51745940 1\n C C2 1 0.62275351 0.24236950 0.72910087 1\n C C3 1 0.19755324 0.47829867 0.87834442 1\n C C4 1 0.56893867 0.86040870 0.46277880 1\n C C5 1 0.98317265 0.24223868 0.09100703 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42871000\n_cell_length_b 4.16559000\n_cell_length_c 7.72921000\n_cell_angle_alpha 123.54187000\n_cell_angle_beta 98.97944000\n_cell_angle_gamma 90.04210000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 64.01635399\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30986641 0.81481487 0.62707799 1\n C C1 1 0.45615806 0.69299112 0.89803981 1\n C C2 1 0.33586745 0.50631682 0.66626093 1\n C C3 1 0.78695034 0.25821463 0.56794074 1\n C C4 1 0.67577101 0.06622569 0.33587322 1\n C C5 1 0.01061161 -0.21575556 0.00493782 1\n C C6 1 0.12195560 0.97357676 0.22886797 1\n C C7 1 0.80040882 0.95105706 0.60823922 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46973000\n_cell_length_b 5.43516000\n_cell_length_c 8.89913000\n_cell_angle_alpha 97.31719000\n_cell_angle_beta 73.90309000\n_cell_angle_gamma 90.02762000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 113.76224713\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20940012 0.67399858 0.14053603 1\n C C1 1 0.61777017 1.06413590 0.23590443 1\n C C2 1 0.38226793 0.78012434 0.46947337 1\n C C3 1 0.80909696 0.61139725 0.03990833 1\n C C4 1 0.09939325 0.67659788 0.75256431 1\n C C5 1 0.37879527 0.95211137 0.97265131 1\n C C6 1 0.92200738 0.60999358 0.42969307 1\n C C7 1 0.32183523 0.24285201 0.52680523 1\n C C8 1 0.40406111 0.21998392 0.94427579 1\n C C9 1 0.16383605 0.13552722 0.68513682 1\n C C10 1 -0.35697478 0.33215277 0.20749657 1\n C C11 1 0.09186277 0.48836804 0.25956654 1\n C C12 1 0.80989638 0.41216368 0.53917286 1\n C C13 1 0.20895944 0.86473568 0.64226782 1\n C C14 1 0.19828468 0.94745288 0.15507292 1\n C C15 1 0.44897340 1.02508810 0.40412194 1\n C C16 1 0.63387266 0.51272095 0.71631631 1\n C C17 1 0.93051457 0.79770238 -0.07859927 1\n C C18 1 -0.17515829 0.33718784 1.02351511 1\n C C19 1 0.57766770 0.25130845 0.77126520 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45823000\n_cell_length_b 3.40079000\n_cell_length_c 5.93079000\n_cell_angle_alpha 63.06475000\n_cell_angle_beta 78.02673000\n_cell_angle_gamma 68.77029000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.14632422\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60468060 0.52888294 0.62940806 1\n C C1 1 0.56975941 0.31391934 0.90568648 1\n C C2 1 0.06062727 0.20465859 1.03226860 1\n C C3 1 0.03563820 0.98725837 0.30844898 1\n C C4 1 0.20521120 0.45591356 0.50167275 1\n C C5 1 0.43587772 0.06001270 0.43628742 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42984000\n_cell_length_b 5.03201000\n_cell_length_c 5.83874000\n_cell_angle_alpha 59.88659000\n_cell_angle_beta 82.58311000\n_cell_angle_gamma 71.50716000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.52679059\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13295531 0.87659015 0.29212941 1\n C C1 1 0.63304020 0.87659452 0.79213259 1\n C C2 1 0.38262281 0.37669211 1.04292256 1\n C C3 1 0.29985524 0.54340561 0.45875078 1\n C C4 1 0.88271160 0.37669214 0.54284378 1\n C C5 1 0.79977900 0.54341516 0.95883810 1\n C C6 1 0.54950043 1.04347399 0.20950456 1\n C C7 1 0.04960732 0.04347782 0.70947561 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47255000\n_cell_length_b 5.34849000\n_cell_length_c 6.01504000\n_cell_angle_alpha 107.73302000\n_cell_angle_beta 110.44564000\n_cell_angle_gamma 68.03873000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.72694344\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68069469 0.22701936 0.40048406 1\n C C1 1 0.67486265 0.86576389 1.02822641 1\n C C2 1 1.10333531 0.48745729 0.73983004 1\n C C3 1 0.74926226 0.99625018 0.67359427 1\n C C4 1 0.75066986 0.57158568 0.27167573 1\n C C5 1 0.05440437 0.40701358 0.47048641 1\n C C6 1 0.85304883 0.31522961 0.07110502 1\n C C7 1 0.09239191 0.74238033 0.26992985 1\n C C8 1 0.09851533 0.97324610 0.50676416 1\n C C9 1 0.71768678 0.32385035 0.81551921 1\n C C10 1 0.05827413 0.79585459 0.86245424 1\n C C11 1 0.51277968 0.16685895 0.13109378 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48770000\n_cell_length_b 4.06117000\n_cell_length_c 5.29493000\n_cell_angle_alpha 121.52606000\n_cell_angle_beta 89.98824000\n_cell_angle_gamma 89.98186000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.59886294\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06027610 0.41604218 0.39771069 1\n C C1 1 0.06080568 0.49064604 0.70574064 1\n C C2 1 0.05993887 -0.01046990 0.17242695 1\n C C3 1 1.05995495 0.91506889 0.86504176 1\n C C4 1 0.56024099 0.64607162 0.40264204 1\n C C5 1 0.56078939 0.40447001 0.82051056 1\n C C6 1 0.56000058 0.00182324 0.75087037 1\n C C7 1 0.56008064 0.75972541 0.16781620 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45135000\n_cell_length_b 2.58565000\n_cell_length_c 9.30908000\n_cell_angle_alpha 114.26045000\n_cell_angle_beta 74.82312000\n_cell_angle_gamma 89.84992000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.50833566\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57122923 0.35242800 0.55410957 1\n C C1 1 0.81071831 0.75469218 0.81403278 1\n C C2 1 0.74458143 0.10241249 0.38428303 1\n C C3 1 0.45986065 0.27926052 0.16848955 1\n C C4 1 0.98366758 0.48581027 0.64104784 1\n C C5 1 0.34316322 0.96050010 0.28666358 1\n C C6 1 0.22366571 0.88816463 0.90116191 1\n C C7 1 0.05634798 0.13800551 0.07123555 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48126000\n_cell_length_b 4.48509000\n_cell_length_c 4.57985000\n_cell_angle_alpha 107.46895000\n_cell_angle_beta 122.82597000\n_cell_angle_gamma 56.41972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.68149587\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.21343931 0.82301477 0.15576889 1\n C C1 1 0.52335477 0.58590699 0.15552480 1\n C C2 1 0.49481053 0.31899213 0.86015390 1\n C C3 1 1.22447418 0.08960642 0.86042239 1\n C C4 1 0.93308437 0.58558641 0.56493014 1\n C C5 1 0.19635645 0.82264059 0.56518648 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46601000\n_cell_length_b 3.30981000\n_cell_length_c 6.67699000\n_cell_angle_alpha 106.47038000\n_cell_angle_beta 104.07709000\n_cell_angle_gamma 76.21871000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.84578184\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49771385 0.54720376 0.38044994 1\n C C1 1 1.06137533 0.61159134 0.50918037 1\n C C2 1 0.16537135 0.72579683 0.71953989 1\n C C3 1 0.72947609 0.79151787 0.84846280 1\n C C4 1 0.60086762 0.23176884 0.00780199 1\n C C5 1 0.20606635 0.83564400 0.22122536 1\n C C6 1 0.63060998 0.10732667 0.22123409 1\n C C7 1 0.02570813 0.50518770 1.00827446 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41084000\n_cell_length_b 3.58494000\n_cell_length_c 8.62384000\n_cell_angle_alpha 87.78954000\n_cell_angle_beta 81.99298000\n_cell_angle_gamma 70.14508000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.41632817\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02618273 0.31866061 0.61032956 1\n C C1 1 0.68203683 0.75158663 0.86983865 1\n C C2 1 0.38336066 0.02761726 0.18298518 1\n C C3 1 1.11220837 0.81448013 -0.05357504 1\n C C4 1 0.79192049 0.69601749 0.69920744 1\n C C5 1 0.03388705 0.46531629 0.44606222 1\n C C6 1 0.22789554 -0.10506139 0.62441170 1\n C C7 1 0.26540649 1.09758456 0.35068007 1\n C C8 1 0.95681993 0.95972460 0.10519956 1\n C C9 1 0.39033331 0.74386043 0.45018365 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.99556000\n_cell_length_b 4.49221000\n_cell_length_c 7.08150000\n_cell_angle_alpha 98.46443000\n_cell_angle_beta 107.65556000\n_cell_angle_gamma 101.07928000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.93463789\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62357190 0.94225422 0.79395141 1\n C C1 1 0.61748268 1.15473460 0.95876758 1\n C C2 1 0.62184079 0.69378156 0.48524356 1\n C C3 1 0.62107330 0.48451167 0.96098015 1\n C C4 1 -0.37473080 0.21142398 0.50172320 1\n C C5 1 0.62335424 0.02464709 0.13405477 1\n C C6 1 0.62296648 0.55814615 0.29506516 1\n C C7 1 0.61913027 0.62239921 0.79771501 1\n C C8 1 0.62238942 -0.02867990 0.59272605 1\n C C9 1 0.61915101 0.23788156 0.29919514 1\n C C10 1 -0.38098517 0.69449029 0.13114747 1\n C C11 1 0.62179037 0.48791068 0.60788531 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.14957000\n_cell_length_b 4.65076000\n_cell_length_c 6.28344000\n_cell_angle_alpha 85.24396000\n_cell_angle_beta 98.63143000\n_cell_angle_gamma 72.33122000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.89418406\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25229108 0.73638105 0.00702727 1\n C C1 1 0.42752115 0.47683650 -0.08662439 1\n C C2 1 0.69306404 -0.02047002 0.66680725 1\n C C3 1 0.77574572 0.21275416 1.00688835 1\n C C4 1 0.86595861 0.71953089 0.57386072 1\n C C5 1 0.34320575 0.24308216 0.57367018 1\n C C6 1 0.74421135 0.63676011 0.36731908 1\n C C7 1 0.89257579 -0.02439020 0.88268069 1\n C C8 1 0.22835448 0.48090602 0.69711308 1\n C C9 1 0.04738057 0.32506521 0.36866883 1\n C C10 1 0.37448804 0.81965987 0.21334984 1\n C C11 1 1.07008411 0.13111185 0.21203030 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42973000\n_cell_length_b 2.42980000\n_cell_length_c 8.46647000\n_cell_angle_alpha 86.68164000\n_cell_angle_beta 81.38795000\n_cell_angle_gamma 59.98513000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.78446244\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43844918 0.28515473 0.15074857 1\n C C1 1 1.04960946 0.39453470 0.81556122 1\n C C2 1 0.77183563 0.61824938 0.15087127 1\n C C3 1 0.38349108 0.72711965 0.81513969 1\n C C4 1 0.60328917 0.62740328 0.48224883 1\n C C5 1 0.93644189 -0.03890793 0.48226073 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45221000\n_cell_length_b 4.59168000\n_cell_length_c 6.71041000\n_cell_angle_alpha 120.57190000\n_cell_angle_beta 100.51232000\n_cell_angle_gamma 105.53646000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.86767743\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14964399 0.12191283 0.55874191 1\n C C1 1 0.26618011 0.55372093 0.35865531 1\n C C2 1 0.91313415 0.93234632 0.27645575 1\n C C3 1 0.06692308 0.75398919 0.76140267 1\n C C4 1 0.97554764 0.15098304 0.18266230 1\n C C5 1 0.84042240 0.35471494 0.70571057 1\n C C6 1 -0.04704588 0.35441656 0.93188979 1\n C C7 1 0.76415961 0.99613155 0.91230652 1\n C C8 1 0.94146594 0.73760293 0.52511082 1\n C C9 1 0.24512286 0.68211631 0.19118786 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47267000\n_cell_length_b 3.23103000\n_cell_length_c 6.05331000\n_cell_angle_alpha 58.84478000\n_cell_angle_beta 78.22052000\n_cell_angle_gamma 67.51821000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.23976381\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49103632 0.48337267 0.37606359 1\n C C1 1 1.00211679 0.05650525 0.78495182 1\n C C2 1 0.31603847 1.05377832 0.15728288 1\n C C3 1 0.50250749 -0.09734635 0.93799038 1\n C C4 1 0.67814599 0.33227974 0.15622025 1\n C C5 1 0.99066064 0.33128778 0.52881368 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46737000\n_cell_length_b 3.37719000\n_cell_length_c 5.23632000\n_cell_angle_alpha 89.93544000\n_cell_angle_beta 89.90412000\n_cell_angle_gamma 68.74156000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.66398849\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55315712 1.31919188 0.66697937 1\n C C1 1 1.03051485 0.36565072 0.79169191 1\n C C2 1 0.39958156 0.62372380 0.19100660 1\n C C3 1 0.17956643 0.06949986 0.26704014 1\n C C4 1 0.59089892 0.24687778 0.39204045 1\n C C5 1 -0.01103638 0.44452346 0.06629823 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48095000\n_cell_length_b 4.21518000\n_cell_length_c 3.68743000\n_cell_angle_alpha 104.64466000\n_cell_angle_beta 109.63722000\n_cell_angle_gamma 89.96102000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98851947\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33126618 0.31225199 0.58699742 1\n C C1 1 0.79007606 0.80888795 0.50202200 1\n C C2 1 0.11122240 1.10583678 0.14231587 1\n C C3 1 0.36813770 0.67713279 0.65818657 1\n C C4 1 0.90958457 0.18079190 0.74406189 1\n C C5 1 0.59184520 0.88265299 0.10313115 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47595000\n_cell_length_b 4.18430000\n_cell_length_c 4.79288000\n_cell_angle_alpha 115.87385000\n_cell_angle_beta 90.00864000\n_cell_angle_gamma 89.97274000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.67725121\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06551507 0.86523854 0.37371131 1\n C C1 1 1.06534162 0.67432585 0.73081519 1\n C C2 1 0.06564177 0.49540916 0.37395750 1\n C C3 1 0.56530970 0.25197028 0.88567942 1\n C C4 1 0.56544009 0.62156200 0.88594613 1\n C C5 1 1.06532128 0.04419667 0.73053373 1\n C C6 1 0.56573215 0.28784619 0.21947240 1\n C C7 1 0.56546131 0.91847590 0.21928253 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43924000\n_cell_length_b 4.23253000\n_cell_length_c 7.40351000\n_cell_angle_alpha 61.28105000\n_cell_angle_beta 80.48177000\n_cell_angle_gamma 89.94230000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.83717296\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21647588 0.63808360 0.47014312 1\n C C1 1 1.09889302 0.83306613 0.71798869 1\n C C2 1 0.91655115 0.10995519 1.08265373 1\n C C3 1 0.54761134 0.76740219 0.82118256 1\n C C4 1 0.21141079 0.97397282 0.48727712 1\n C C5 1 0.42240995 0.96329239 0.06947729 1\n C C6 1 -0.27843771 0.49058985 0.45783170 1\n C C7 1 0.43185541 0.62733760 0.05201895 1\n C C8 1 -0.24140673 0.20749885 0.39338346 1\n C C9 1 0.88342551 0.39340809 0.14689798 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53475000\n_cell_length_b 2.40037000\n_cell_length_c 8.38593000\n_cell_angle_alpha 81.77889000\n_cell_angle_beta 89.53823000\n_cell_angle_gamma 89.92179000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.49685985\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.17537065 0.19430133 0.35348878 1\n C C1 1 0.18094042 0.56632134 0.60781780 1\n C C2 1 0.68239489 0.32897429 0.08218396 1\n C C3 1 0.17581048 0.65101291 0.43819284 1\n C C4 1 0.68551275 -0.11237434 -0.03614011 1\n C C5 1 0.18496841 1.02506930 0.69249019 1\n C C6 1 0.18733602 -0.06131238 0.86769903 1\n C C7 1 0.17917326 0.28268684 0.17831351 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46078000\n_cell_length_b 5.90079000\n_cell_length_c 8.15306000\n_cell_angle_alpha 122.70292000\n_cell_angle_beta 83.77357000\n_cell_angle_gamma 100.35396000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 97.98916006\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01574748 0.61664570 0.81262880 1\n C C1 1 1.10671286 1.11579993 0.15878688 1\n C C2 1 0.54890112 0.75547576 0.88476392 1\n C C3 1 0.87350314 0.58995913 0.13565550 1\n C C4 1 0.28898537 -0.08863712 0.58746938 1\n C C5 1 0.37266970 0.58867029 0.13671233 1\n C C6 1 0.38318814 0.19135620 0.66474757 1\n C C7 1 0.13527654 0.35173495 0.34509982 1\n C C8 1 1.59472960 1.00621740 1.06220384 1\n C C9 1 0.66385375 0.48597603 0.42491567 1\n C C10 1 -0.06965899 0.33173582 0.70483440 1\n C C11 1 -0.25674950 0.77046072 0.54465079 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42767000\n_cell_length_b 3.29648000\n_cell_length_c 6.17466000\n_cell_angle_alpha 60.18390000\n_cell_angle_beta 100.71127000\n_cell_angle_gamma 89.29003000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.80661533\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.19599689 0.37080549 0.81421787 1\n C C1 1 0.69254847 0.81488424 0.59107774 1\n C C2 1 0.47060215 0.70382942 0.14705165 1\n C C3 1 0.35961085 0.15001683 -0.07466543 1\n C C4 1 0.13705515 1.03592423 0.48010245 1\n C C5 1 1.02617497 0.48150780 0.25797731 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.66405000\n_cell_length_b 2.48166000\n_cell_length_c 5.57368000\n_cell_angle_alpha 77.13238000\n_cell_angle_beta 70.73285000\n_cell_angle_gamma 90.02352000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.49037175\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17052168 0.51580756 0.08256468 1\n C C1 1 0.30998972 0.39190833 0.32420479 1\n C C2 1 0.78344137 0.12639176 0.85766685 1\n C C3 1 0.69756256 0.78249320 0.54863129 1\n C C4 1 0.54866765 0.89198787 0.32409840 1\n C C5 1 0.54362834 0.62593138 0.85805400 1\n C C6 1 -0.06899683 1.01573897 0.08270810 1\n C C7 1 0.93619500 0.28282153 0.54835510 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42639000\n_cell_length_b 5.53143000\n_cell_length_c 6.32525000\n_cell_angle_alpha 95.49729000\n_cell_angle_beta 78.60701000\n_cell_angle_gamma 78.06826000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.59242099\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19428693 0.75645767 0.07678726 1\n C C1 1 0.38391708 0.50334550 0.93312885 1\n C C2 1 0.44771816 -0.08385008 0.40759580 1\n C C3 1 -0.39276710 0.82412493 0.18403955 1\n C C4 1 0.50616312 0.49244550 0.69284096 1\n C C5 1 0.92051432 0.35795814 -0.00187518 1\n C C6 1 0.70929094 0.03966392 0.74482732 1\n C C7 1 0.22210954 0.39586003 0.35112382 1\n C C8 1 1.12142850 0.10544295 0.85346055 1\n C C9 1 0.78949299 0.37126686 0.23923673 1\n C C10 1 0.87208356 -0.05486489 0.52159150 1\n C C11 1 1.07238496 0.46670227 0.58121364 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.98265000\n_cell_length_b 3.10812000\n_cell_length_c 4.54221000\n_cell_angle_alpha 116.53374000\n_cell_angle_beta 121.28786000\n_cell_angle_gamma 71.47485000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.71701654\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37453563 1.13214256 0.23424458 1\n C C1 1 0.03885008 0.12958167 0.90054268 1\n C C2 1 0.70806467 0.46569332 0.90097562 1\n C C3 1 0.04109862 0.79877931 0.56754878 1\n C C4 1 0.70580871 0.79651736 0.23395425 1\n C C5 1 0.37235779 0.46293128 0.56729608 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.39265000\n_cell_length_b 4.88167000\n_cell_length_c 6.52055000\n_cell_angle_alpha 103.44011000\n_cell_angle_beta 102.90193000\n_cell_angle_gamma 116.91764000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 137.77197027\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10092051 0.43573845 0.50769597 1\n C C1 1 0.85950917 0.81546971 0.04870749 1\n C C2 1 0.75642751 0.39898483 0.68464425 1\n C C3 1 0.22027464 0.13120617 0.68418973 1\n C C4 1 0.21976379 0.61323848 0.67599381 1\n C C5 1 0.50781119 0.44110902 0.19209295 1\n C C6 1 0.82607452 1.11760984 0.36109095 1\n C C7 1 0.74908391 0.87733357 0.67556161 1\n C C8 1 0.50845698 0.63621540 0.04089337 1\n C C9 1 0.90857984 0.76412140 0.82760449 1\n C C10 1 0.90181101 0.93720931 0.50737873 1\n C C11 1 0.43419098 0.25246144 0.57589965 1\n C C12 1 0.23737155 -0.07476585 0.82025664 1\n C C13 1 0.50711405 -0.07594462 0.18430767 1\n C C14 1 0.29314533 0.80299233 0.29289166 1\n C C15 1 0.30142487 0.48248416 0.30909089 1\n C C16 1 0.81962054 0.29014865 1.04106725 1\n C C17 1 0.86776553 0.23874345 0.81962437 1\n C C18 1 -0.02093694 0.17693926 0.19284603 1\n C C19 1 0.82866323 0.61906187 0.36069309 1\n C C20 1 0.42586579 0.57137240 0.55852413 1\n C C21 1 0.21869765 0.41896088 0.82785595 1\n C C22 1 0.49126106 0.12989267 0.04834630 1\n C C23 1 0.97076199 0.65497098 0.18329642 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39417000\n_cell_length_b 4.37860000\n_cell_length_c 4.13829000\n_cell_angle_alpha 72.27125000\n_cell_angle_beta 75.35035000\n_cell_angle_gamma 80.68759000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.43632181\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85118263 0.58811709 0.18216920 1\n C C1 1 0.26856597 1.05383544 0.18045141 1\n C C2 1 0.21334176 0.45452843 0.62245384 1\n C C3 1 0.77084142 0.51762241 -0.12503974 1\n C C4 1 0.54752917 0.81638425 0.71070662 1\n C C5 1 1.05011841 0.28006668 0.40463962 1\n C C6 1 0.51294264 0.27242543 0.87461073 1\n C C7 1 0.46907063 0.74586533 0.40235347 1\n C C8 1 0.80652090 1.06123602 0.71113698 1\n C C9 1 0.10539675 0.87939632 0.96311546 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43142000\n_cell_length_b 6.03935000\n_cell_length_c 4.53756000\n_cell_angle_alpha 69.36899000\n_cell_angle_beta 83.49866000\n_cell_angle_gamma 71.60206000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.16994307\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30516378 0.80785072 0.69079713 1\n C C1 1 1.05553524 0.55710269 0.44166939 1\n C C2 1 0.55558503 1.05709318 -0.05831515 1\n C C3 1 -0.11099281 0.72352948 0.60799973 1\n C C4 1 0.38899246 0.22354956 0.10796429 1\n C C5 1 0.80514282 0.30787516 0.19075340 1\n C C6 1 0.63844107 0.47434969 0.35702337 1\n C C7 1 1.13848652 -0.02565438 0.85703325 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.29820000\n_cell_length_b 3.75356000\n_cell_length_c 4.30154000\n_cell_angle_alpha 115.80450000\n_cell_angle_beta 121.57594000\n_cell_angle_gamma 64.35965000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.29642397\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42268828 0.40578937 0.93444037 1\n C C1 1 0.80867499 0.22285878 0.56321079 1\n C C2 1 0.80822311 0.82812979 0.56364694 1\n C C3 1 0.47811294 0.19779641 0.57775092 1\n C C4 1 -0.22524409 0.41031587 0.29792002 1\n C C5 1 0.09256764 0.37884578 0.94856682 1\n C C6 1 0.12598873 0.19284186 0.21435367 1\n C C7 1 0.09228120 0.77427904 0.94874976 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55201000\n_cell_length_b 4.57089000\n_cell_length_c 6.77795000\n_cell_angle_alpha 95.24245000\n_cell_angle_beta 112.18947000\n_cell_angle_gamma 80.97575000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.25815583\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45105847 -0.00224304 0.71877283 1\n C C1 1 0.48866320 0.73703408 0.58218303 1\n C C2 1 0.27648117 0.73010015 0.37243456 1\n C C3 1 -0.02437352 0.26496613 0.32597987 1\n C C4 1 0.06863583 1.04679476 0.86372411 1\n C C5 1 0.22476974 0.27175596 0.57366848 1\n C C6 1 0.02668089 0.37934701 0.87940838 1\n C C7 1 0.37358416 0.44229454 0.26319039 1\n C C8 1 0.75833141 0.44142784 0.65479121 1\n C C9 1 0.93882371 0.95626070 0.21307336 1\n C C10 1 0.29587037 0.88364601 0.07075843 1\n C C11 1 0.23444809 0.55284497 0.04702296 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46942000\n_cell_length_b 6.59497000\n_cell_length_c 6.46599000\n_cell_angle_alpha 91.87043000\n_cell_angle_beta 101.01038000\n_cell_angle_gamma 79.20529000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 101.53551005\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39506390 0.66935399 0.61422799 1\n C C1 1 0.78034343 0.56748543 0.27696867 1\n C C2 1 0.28510134 0.22406625 -0.04722683 1\n C C3 1 0.61807839 0.22603377 0.61427321 1\n C C4 1 0.24382740 0.88310755 0.52283346 1\n C C5 1 0.89440133 0.32981318 0.27654380 1\n C C6 1 0.39972403 0.22798482 0.18632097 1\n C C7 1 0.67976683 0.01287694 0.52307787 1\n C C8 1 0.51334901 0.67241783 0.84888156 1\n C C9 1 1.18446133 0.67004010 0.18656647 1\n C C10 1 0.11909853 0.88395155 0.27569211 1\n C C11 1 1.02187822 0.32870108 0.52387138 1\n C C12 1 0.55331377 0.01384205 0.27593398 1\n C C13 1 0.73300304 0.22310994 0.84878382 1\n C C14 1 1.06465833 0.67274403 0.95279243 1\n C C15 1 0.90153622 0.56671680 0.52404530 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.18873000\n_cell_length_b 2.43142000\n_cell_length_c 8.73845000\n_cell_angle_alpha 91.52594000\n_cell_angle_beta 111.27708000\n_cell_angle_gamma 110.22847000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.33523777\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73112290 0.08454231 0.21017768 1\n C C1 1 0.23101146 0.33441704 -0.03983634 1\n C C2 1 0.90085310 1.16929145 0.79318283 1\n C C3 1 0.40017517 0.91897699 0.04343577 1\n C C4 1 0.40125352 0.41954479 0.54322637 1\n C C5 1 0.23200215 0.83486268 0.45988594 1\n C C6 1 0.73191373 0.58473570 0.70987893 1\n C C7 1 -0.09949282 0.66931835 0.29345372 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.92269000\n_cell_length_b 3.83942000\n_cell_length_c 7.17226000\n_cell_angle_alpha 101.95594000\n_cell_angle_beta 85.45312000\n_cell_angle_gamma 67.74324000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.75652246\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30663433 0.83308803 0.03391723 1\n C C1 1 0.55695179 0.57789837 0.15542556 1\n C C2 1 0.32694834 0.81445276 0.34539868 1\n C C3 1 0.73957076 0.40478862 0.52440308 1\n C C4 1 0.38350339 0.75526373 0.52429295 1\n C C5 1 0.93213192 0.21048255 0.15554442 1\n C C6 1 0.78090454 0.35884330 0.71382450 1\n C C7 1 0.97171131 0.16500884 0.34520928 1\n C C8 1 0.15746811 -0.00917066 0.71402756 1\n C C9 1 0.40792020 0.73595226 0.83647815 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.07869000\n_cell_length_b 3.37588000\n_cell_length_c 3.79142000\n_cell_angle_alpha 107.04532000\n_cell_angle_beta 108.54964000\n_cell_angle_gamma 100.25635000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.14911448\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85690063 0.74303283 0.70015737 1\n C C1 1 0.79807355 0.63450284 0.02526163 1\n C C2 1 0.51123495 0.17704793 0.87858049 1\n C C3 1 0.98588938 0.37209912 0.51016335 1\n C C4 1 0.66847944 0.00479140 0.21515114 1\n C C5 1 0.14348596 0.20026868 0.84659433 1\n C C6 1 0.50890361 0.85732315 0.48286523 1\n C C7 1 0.14568617 0.51996235 0.24231856 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37467000\n_cell_length_b 3.48656000\n_cell_length_c 6.74597000\n_cell_angle_alpha 58.32283000\n_cell_angle_beta 74.31826000\n_cell_angle_gamma 87.32586000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.59251435\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96266984 0.38916199 0.87566909 1\n C C1 1 0.66014786 0.68491865 0.87524970 1\n C C2 1 0.19693578 0.62390328 0.44175881 1\n C C3 1 0.56044810 0.08011378 0.69162287 1\n C C4 1 0.51158395 0.42335835 0.14760592 1\n C C5 1 0.83718557 0.10521699 0.14784631 1\n C C6 1 0.85864997 0.32001888 0.44174011 1\n C C7 1 0.09678648 0.10960485 0.30343109 1\n C C8 1 0.60791964 0.63484428 0.27846070 1\n C C9 1 0.24658860 0.36167855 0.69208180 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.66480000\n_cell_length_b 5.36888000\n_cell_length_c 6.22017000\n_cell_angle_alpha 56.05460000\n_cell_angle_beta 35.62898000\n_cell_angle_gamma 63.50978000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.99996093\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92151063 0.81362563 0.65014783 1\n C C1 1 0.30541824 0.62139853 1.05508780 1\n C C2 1 0.92142453 0.12208958 0.49632917 1\n C C3 1 0.53974553 0.62160072 0.43752763 1\n C C4 1 0.30414781 0.31413910 0.70881342 1\n C C5 1 0.53916556 0.31381894 0.09147125 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44828000\n_cell_length_b 3.50001000\n_cell_length_c 7.79006000\n_cell_angle_alpha 73.83055000\n_cell_angle_beta 99.01599000\n_cell_angle_gamma 110.51436000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.91690803\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85089311 1.17700081 0.84542378 1\n C C1 1 0.39988465 0.71183917 0.41494161 1\n C C2 1 0.64027314 0.86738461 0.73972240 1\n C C3 1 0.81128962 0.91536408 0.03172170 1\n C C4 1 0.17702881 0.64902221 0.02849881 1\n C C5 1 0.02223634 0.21221417 0.15516486 1\n C C6 1 1.05704818 0.61379940 0.82658652 1\n C C7 1 0.54697958 0.14874506 0.26998645 1\n C C8 1 0.60751434 -0.00714215 0.54491217 1\n C C9 1 0.75626072 0.42181134 0.41511660 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42842000\n_cell_length_b 3.96464000\n_cell_length_c 5.67158000\n_cell_angle_alpha 53.23708000\n_cell_angle_beta 98.83956000\n_cell_angle_gamma 87.59713000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.60259789\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42596826 0.05620638 0.74876340 1\n C C1 1 0.31397719 0.50031621 0.52502619 1\n C C2 1 0.64658513 0.16666394 0.19103539 1\n C C3 1 1.09216603 0.38914173 0.08155253 1\n C C4 1 0.75931920 0.72273826 0.41506091 1\n C C5 1 -0.01982860 0.83311247 0.85755278 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51126000\n_cell_length_b 3.76216000\n_cell_length_c 4.43946000\n_cell_angle_alpha 92.86816000\n_cell_angle_beta 90.68773000\n_cell_angle_gamma 93.17918000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.47489216\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12936541 0.75380327 0.41967206 1\n C C1 1 0.35750877 0.25682857 0.18684046 1\n C C2 1 0.90091207 0.25928392 0.65028239 1\n C C3 1 0.35597472 0.88337149 0.18652019 1\n C C4 1 0.75019161 0.57310797 0.79915041 1\n C C5 1 0.50542257 0.57143873 0.03741267 1\n C C6 1 0.12934316 0.38921457 0.41830715 1\n C C7 1 0.89960938 0.88590278 0.64973008 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29737000\n_cell_length_b 4.00741000\n_cell_length_c 6.58522000\n_cell_angle_alpha 72.26860000\n_cell_angle_beta 85.21820000\n_cell_angle_gamma 90.00259000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.56464450\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11535980 0.47942831 0.26175639 1\n C C1 1 0.45125813 0.57079358 0.07341957 1\n C C2 1 1.18520690 0.12905927 0.96225282 1\n C C3 1 0.88837790 1.05676585 0.81502305 1\n C C4 1 0.58208608 0.57080149 0.50245588 1\n C C5 1 0.95622031 0.75600660 0.34856054 1\n C C6 1 0.84986838 1.03228247 0.15039990 1\n C C7 1 0.25862407 0.85862704 0.49806390 1\n C C8 1 0.73339197 0.32696334 0.21792870 1\n C C9 1 0.04351144 0.74365624 0.72623862 1\n C C10 1 0.34631272 0.49128714 0.87558079 1\n C C11 1 0.41325392 0.26000037 0.40951012 1\n C C12 1 0.56699986 0.93245552 1.00630919 1\n C C13 1 0.72091254 0.46108978 0.72183971 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.24920000\n_cell_length_b 4.43147000\n_cell_length_c 3.42783000\n_cell_angle_alpha 74.24820000\n_cell_angle_beta 113.73411000\n_cell_angle_gamma 103.88115000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.00453657\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43955232 0.15958242 0.83654526 1\n C C1 1 0.38359618 0.66052962 0.27592489 1\n C C2 1 0.65151538 -0.02983252 0.23863137 1\n C C3 1 0.59412613 0.47108651 0.67849816 1\n C C4 1 0.03541884 0.96832125 0.62288130 1\n C C5 1 -0.00254195 0.66234962 0.89321182 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44561000\n_cell_length_b 5.29105000\n_cell_length_c 7.71993000\n_cell_angle_alpha 94.25732000\n_cell_angle_beta 82.17943000\n_cell_angle_gamma 91.76528000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 98.67083310\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54249897 0.62000277 0.17831651 1\n C C1 1 -0.07392832 0.72875725 0.46129051 1\n C C2 1 -0.03196839 -0.00423304 0.40248407 1\n C C3 1 0.58262277 1.16313774 0.16419761 1\n C C4 1 0.19759830 0.05381114 0.88158644 1\n C C5 1 1.00513643 0.63379690 0.26797222 1\n C C6 1 0.62146617 0.69461884 0.00168293 1\n C C7 1 1.12080930 0.15094872 0.07420128 1\n C C8 1 0.32665552 0.44182788 0.64063397 1\n C C9 1 0.15331322 0.78646047 0.93987606 1\n C C10 1 0.38496680 0.64141972 0.54103551 1\n C C11 1 0.79581857 0.33129267 0.69454532 1\n C C12 1 0.50111835 0.08766972 0.34046897 1\n C C13 1 0.73746431 0.13863003 0.80022861 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43189000\n_cell_length_b 4.33173000\n_cell_length_c 6.79911000\n_cell_angle_alpha 103.40979000\n_cell_angle_beta 92.11837000\n_cell_angle_gamma 122.02992000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.94328178\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90334125 0.87991772 0.47105402 1\n C C1 1 -0.09692967 0.37964577 0.22125112 1\n C C2 1 0.57101726 1.04676868 0.55411079 1\n C C3 1 0.57094165 0.54667694 -0.19585731 1\n C C4 1 0.57067753 0.04643388 1.05439901 1\n C C5 1 0.90314593 0.87973750 0.97121922 1\n C C6 1 0.90341005 0.37998056 0.72096291 1\n C C7 1 0.57074634 0.54649672 0.30430789 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43836000\n_cell_length_b 4.23162000\n_cell_length_c 6.53338000\n_cell_angle_alpha 89.97958000\n_cell_angle_beta 79.26499000\n_cell_angle_gamma 90.00557000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.23302045\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71252180 0.34233874 0.33646178 1\n C C1 1 0.37720228 0.22830081 0.01292033 1\n C C2 1 0.03909052 0.73307908 0.68620557 1\n C C3 1 0.34915465 0.88923854 0.07740698 1\n C C4 1 -0.15595551 0.73176563 0.08892510 1\n C C5 1 1.04535961 0.38303121 0.67162311 1\n C C6 1 0.16039497 0.34237771 0.44098076 1\n C C7 1 0.83082960 0.38194541 0.10596763 1\n C C8 1 0.49922603 0.22925315 0.76483995 1\n C C9 1 0.53346835 -0.10948298 0.69912441 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38261000\n_cell_length_b 4.26739000\n_cell_length_c 5.08882000\n_cell_angle_alpha 103.11379000\n_cell_angle_beta 116.92826000\n_cell_angle_gamma 105.51166000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.69732624\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40221957 0.68151001 0.13393478 1\n C C1 1 0.19519655 0.23380125 0.36934701 1\n C C2 1 0.64701182 0.39486763 0.66107083 1\n C C3 1 0.64466072 0.20863033 0.84833925 1\n C C4 1 0.09725208 0.68415642 0.82179428 1\n C C5 1 0.88965455 0.92276597 0.37561757 1\n C C6 1 0.19426217 0.91918590 0.68711238 1\n C C7 1 0.09674214 0.36970310 0.13992460 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48717000\n_cell_length_b 4.53245000\n_cell_length_c 6.31655000\n_cell_angle_alpha 86.46973000\n_cell_angle_beta 101.36099000\n_cell_angle_gamma 105.99676000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.10577084\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77586312 0.15282774 0.21127817 1\n C C1 1 0.46176809 0.16964800 0.56768224 1\n C C2 1 0.27343525 0.62111640 0.73781975 1\n C C3 1 0.28338604 0.43084935 0.94714022 1\n C C4 1 0.07747057 1.07213083 0.89856545 1\n C C5 1 1.06605668 0.69562746 0.25458073 1\n C C6 1 0.86547186 0.45073677 0.09167870 1\n C C7 1 0.47013656 0.97894805 0.77751782 1\n C C8 1 0.66004978 0.52680289 0.60792593 1\n C C9 1 0.15578555 0.99307136 0.13382279 1\n C C10 1 0.64938948 0.71774970 0.39893413 1\n C C11 1 0.85496123 1.07559935 0.44675158 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26724000\n_cell_length_b 3.68674000\n_cell_length_c 5.18059000\n_cell_angle_alpha 61.38247000\n_cell_angle_beta 71.59251000\n_cell_angle_gamma 63.65849000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.66665275\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09767579 0.85317951 0.14313046 1\n C C1 1 0.66347134 0.09293805 0.77193424 1\n C C2 1 0.47906076 0.15905725 0.50800157 1\n C C3 1 0.96827554 0.35288499 0.64352189 1\n C C4 1 0.71559170 0.78731727 0.40699028 1\n C C5 1 -0.08388130 0.65841189 0.00868551 1\n C C6 1 0.53406991 0.59333085 0.27139822 1\n C C7 1 0.15310206 0.28755079 0.90635492 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43239000\n_cell_length_b 4.63620000\n_cell_length_c 4.00395000\n_cell_angle_alpha 84.19826000\n_cell_angle_beta 90.32010000\n_cell_angle_gamma 74.23791000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.20654550\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39223568 0.81877081 0.89251713 1\n C C1 1 1.05969446 0.48332641 0.56251863 1\n C C2 1 -0.05269835 0.70839233 0.78009208 1\n C C3 1 0.61453829 0.37312713 0.44936308 1\n C C4 1 0.28135823 1.04013498 0.11569984 1\n C C5 1 0.72623048 0.15053253 0.22807634 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47775000\n_cell_length_b 4.28777000\n_cell_length_c 8.02421000\n_cell_angle_alpha 79.73408000\n_cell_angle_beta 128.13216000\n_cell_angle_gamma 90.01458000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.31550677\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12999744 0.18965225 0.43192856 1\n C C1 1 -0.04036536 0.13563063 0.09708157 1\n C C2 1 0.95668514 0.71914851 0.84634822 1\n C C3 1 0.62852962 0.27402457 0.18120114 1\n C C4 1 0.79668315 0.99499170 0.51559725 1\n C C5 1 0.12852962 0.77402457 0.18120114 1\n C C6 1 0.78977716 0.41335473 0.76277501 1\n C C7 1 1.29668315 0.49499170 0.51559725 1\n C C8 1 0.28977716 0.91335473 0.76277501 1\n C C9 1 0.62999744 0.68965225 0.43192856 1\n C C10 1 0.45668514 0.21914851 0.84634822 1\n C C11 1 0.45963464 0.63563063 0.09708157 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64194000\n_cell_length_b 4.70230000\n_cell_length_c 6.24957000\n_cell_angle_alpha 67.82473000\n_cell_angle_beta 82.87120000\n_cell_angle_gamma 70.75016000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.56928934\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36130811 0.70697629 0.82268509 1\n C C1 1 0.52469406 -0.01510797 0.20522136 1\n C C2 1 0.55134387 0.32957870 0.20529133 1\n C C3 1 0.98417547 0.14896841 0.95824890 1\n C C4 1 0.98448116 0.90188766 0.45077868 1\n C C5 1 -0.01021856 0.44041364 0.42581793 1\n C C6 1 0.35294388 0.67300047 0.59386212 1\n C C7 1 0.70154366 -0.02265089 0.96990537 1\n C C8 1 0.70196735 0.74126905 0.44038598 1\n C C9 1 1.16348805 -0.07649279 0.20494719 1\n C C10 1 0.36171727 0.32476403 0.58609956 1\n C C11 1 0.35288489 1.06250389 0.81513349 1\n C C12 1 0.74688668 0.46508963 -0.02429294 1\n C C13 1 0.18187263 0.57296961 0.20492652 1\n C C14 1 -0.01028459 0.66212502 0.98343882 1\n C C15 1 0.74731765 0.23485025 0.43436230 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50513000\n_cell_length_b 4.71576000\n_cell_length_c 9.52461000\n_cell_angle_alpha 112.77138000\n_cell_angle_beta 78.68265000\n_cell_angle_gamma 118.97152000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.76114554\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38577642 0.22703513 0.08594575 1\n C C1 1 0.69030912 1.22494004 0.31218621 1\n C C2 1 0.81816748 0.50594669 0.73962871 1\n C C3 1 0.36362180 0.84423646 0.24122457 1\n C C4 1 1.05693112 0.33467157 0.01915469 1\n C C5 1 0.05086378 0.11821482 0.84737760 1\n C C6 1 0.71623335 0.74392151 0.30835836 1\n C C7 1 0.56321135 0.23076849 0.47593962 1\n C C8 1 0.36887545 0.36258861 0.26248523 1\n C C9 1 0.83943969 1.00115371 0.47614628 1\n C C10 1 0.93150221 0.78280612 0.86079173 1\n C C11 1 0.36561276 0.71328139 0.07120080 1\n C C12 1 0.64829021 0.15404922 0.75525254 1\n C C13 1 0.54527969 0.82945490 0.60062971 1\n C C14 1 0.02670032 0.84556396 0.02000518 1\n C C15 1 -0.15602254 0.59131489 0.59789741 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26591000\n_cell_length_b 3.63069000\n_cell_length_c 3.27530000\n_cell_angle_alpha 104.50251000\n_cell_angle_beta 99.16619000\n_cell_angle_gamma 75.56890000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.21813549\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13482007 0.92566152 0.68251525 1\n C C1 1 0.54917769 0.30785028 0.31163802 1\n C C2 1 0.40171894 0.54394175 0.73699904 1\n C C3 1 0.76301719 0.54420454 0.09824777 1\n C C4 1 0.81806238 0.92594485 0.36483936 1\n C C5 1 0.18864483 0.30760196 0.95112935 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46917000\n_cell_length_b 5.20181000\n_cell_length_c 5.67660000\n_cell_angle_alpha 83.38308000\n_cell_angle_beta 71.90029000\n_cell_angle_gamma 86.75476000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.82491269\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76929666 1.02645015 0.47501012 1\n C C1 1 1.04865782 0.34506701 0.09614576 1\n C C2 1 0.22259413 0.19666131 0.47446025 1\n C C3 1 0.69062969 1.02393106 0.89407768 1\n C C4 1 0.41009227 0.67740773 0.34701998 1\n C C5 1 0.93646900 0.84341053 0.28048875 1\n C C6 1 1.08702889 0.03587621 0.05047917 1\n C C7 1 0.85938165 0.28181348 0.73134319 1\n C C8 1 0.26082861 0.42273626 0.80728264 1\n C C9 1 0.27023951 0.68110100 0.66282686 1\n C C10 1 0.43865201 0.40583477 0.24698431 1\n C C11 1 0.73068948 0.83789949 0.70120009 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42918000\n_cell_length_b 3.18990000\n_cell_length_c 6.62589000\n_cell_angle_alpha 72.41953000\n_cell_angle_beta 68.44526000\n_cell_angle_gamma 67.73407000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.39367460\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23542800 0.80700932 0.54530106 1\n C C1 1 0.34756807 1.02911620 0.32289861 1\n C C2 1 0.57008598 0.47133324 0.87815101 1\n C C3 1 0.90112669 0.14192986 0.21169825 1\n C C4 1 1.01746136 0.35803137 -0.01145327 1\n C C5 1 0.68319359 0.69311061 0.65572914 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44414000\n_cell_length_b 6.26429000\n_cell_length_c 8.27352000\n_cell_angle_alpha 98.86748000\n_cell_angle_beta 81.38198000\n_cell_angle_gamma 89.95861000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 123.71021154\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69973320 0.14583389 0.51024294 1\n C C1 1 0.65113074 0.74054177 0.59406345 1\n C C2 1 0.72191376 0.36343813 0.46358425 1\n C C3 1 1.08857082 0.48562468 0.72667624 1\n C C4 1 0.49912205 1.00712652 0.91862306 1\n C C5 1 0.00382094 0.54913570 0.90258359 1\n C C6 1 0.63601786 0.51916621 0.62977896 1\n C C7 1 0.16296056 0.83830807 0.57222297 1\n C C8 1 0.87646013 1.10426830 0.16355081 1\n C C9 1 -0.13709784 0.62635833 0.19443065 1\n C C10 1 0.18917528 0.04734532 0.53058242 1\n C C11 1 0.03720404 0.31357637 0.84051149 1\n C C12 1 -0.05694360 0.71259612 0.03588048 1\n C C13 1 0.95644392 0.94384997 1.00398067 1\n C C14 1 0.33050952 0.56272490 0.25602580 1\n C C15 1 0.34596668 0.18631449 0.22494020 1\n C C16 1 0.27660468 0.38275930 0.35902248 1\n C C17 1 0.53023683 0.19277923 0.85624713 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48482000\n_cell_length_b 4.08520000\n_cell_length_c 4.68039000\n_cell_angle_alpha 96.66288000\n_cell_angle_beta 74.61774000\n_cell_angle_gamma 90.00516000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.47587728\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75047049 0.38559508 0.18991998 1\n C C1 1 0.69341130 0.74130067 0.30578561 1\n C C2 1 0.42193174 0.68030122 0.84771997 1\n C C3 1 1.03766569 0.14827589 0.61719202 1\n C C4 1 0.53659833 0.92236714 0.61966281 1\n C C5 1 0.20743953 0.21660547 0.27625860 1\n C C6 1 0.26536247 0.86096519 0.16150159 1\n C C7 1 0.92085535 0.45477343 0.84962312 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45654000\n_cell_length_b 3.65934000\n_cell_length_c 8.03813000\n_cell_angle_alpha 66.05026000\n_cell_angle_beta 52.28214000\n_cell_angle_gamma 70.34616000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.84827895\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27439916 0.69409508 1.10745020 1\n C C1 1 0.87675570 0.18549204 0.68354338 1\n C C2 1 0.32532379 0.94110418 0.77036991 1\n C C3 1 0.82605965 0.93768852 1.02065177 1\n C C4 1 0.90296842 0.49197294 0.34326438 1\n C C5 1 0.24730494 0.38586177 0.44753675 1\n C C6 1 0.70730934 0.38513740 0.96876390 1\n C C7 1 0.44612940 0.49344058 0.82251182 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50828000\n_cell_length_b 6.23008000\n_cell_length_c 7.58078000\n_cell_angle_alpha 109.05798000\n_cell_angle_beta 119.69522000\n_cell_angle_gamma 90.02108000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 95.35037582\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.13230254 0.73417644 0.45787466 1\n C C1 1 0.05730125 0.39158323 0.25259549 1\n C C2 1 0.23292264 0.01911627 0.03606216 1\n C C3 1 0.04054953 0.60723113 0.90669662 1\n C C4 1 0.22621306 0.81139633 0.69758694 1\n C C5 1 0.74118356 0.47731477 0.37506123 1\n C C6 1 0.71261137 0.34863824 1.02250995 1\n C C7 1 0.72870154 0.15232797 0.69920324 1\n C C8 1 0.83008597 0.15404292 0.10091427 1\n C C9 1 0.02040818 0.39597330 0.55960782 1\n C C10 1 0.85736268 -0.04871019 0.78490199 1\n C C11 1 -0.29039429 -0.11116087 0.35243544 1\n C C12 1 1.01584552 0.14830104 0.55651734 1\n C C13 1 0.35892712 0.82482417 0.11907019 1\n C C14 1 0.33141023 0.60518265 0.76730178 1\n C C15 1 1.05027999 0.37160949 0.91395469 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43070000\n_cell_length_b 3.12858000\n_cell_length_c 6.45127000\n_cell_angle_alpha 75.40241000\n_cell_angle_beta 71.31252000\n_cell_angle_gamma 74.14542000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.97083063\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03021637 0.04248991 0.34322635 1\n C C1 1 0.36290635 0.71109623 0.67638053 1\n C C2 1 0.25150700 0.48601247 0.89812403 1\n C C3 1 0.91610698 -0.17567840 0.56586055 1\n C C4 1 0.58435903 0.15410915 0.23214813 1\n C C5 1 0.69709906 0.37404984 1.00963200 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.55062000\n_cell_length_b 2.99611000\n_cell_length_c 3.63568000\n_cell_angle_alpha 90.64018000\n_cell_angle_beta 113.32026000\n_cell_angle_gamma 103.59633000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.94155970\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51577922 0.82323352 0.49049896 1\n C C1 1 0.32387332 0.63080833 0.70390916 1\n C C2 1 0.82571621 0.12498466 0.14598336 1\n C C3 1 0.51613431 -0.17779005 0.10993379 1\n C C4 1 0.01808806 0.31458574 0.55218058 1\n C C5 1 0.82553678 1.12398881 0.76507085 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.43172000\n_cell_length_b 3.44034000\n_cell_length_c 6.23478000\n_cell_angle_alpha 65.04135000\n_cell_angle_beta 77.48461000\n_cell_angle_gamma 69.88180000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.63715784\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44718105 1.03278470 0.93443632 1\n C C1 1 0.77225350 0.76462481 0.59659534 1\n C C2 1 0.77169195 0.04289873 0.93553453 1\n C C3 1 0.31014219 -0.28594573 0.10985008 1\n C C4 1 -0.08562586 0.35312881 0.75857521 1\n C C5 1 0.30778519 0.72379486 0.50702777 1\n C C6 1 0.44919268 1.02408969 0.53722241 1\n C C7 1 0.27227437 0.27919779 0.71444025 1\n C C8 1 0.98487060 0.98207393 0.44655656 1\n C C9 1 0.84316239 0.39384753 0.28443048 1\n C C10 1 -0.01412142 0.70387727 1.10856712 1\n C C11 1 0.48508767 0.46865210 0.32927062 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.82645000\n_cell_length_b 4.82159000\n_cell_length_c 2.97345000\n_cell_angle_alpha 108.10524000\n_cell_angle_beta 90.22802000\n_cell_angle_gamma 119.99128000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.88616478\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88140222 0.35383979 0.75572274 1\n C C1 1 0.52933898 0.65054127 0.40303251 1\n C C2 1 0.36732912 0.82680765 0.36919027 1\n C C3 1 0.38105993 0.35372341 0.50736883 1\n C C4 1 1.04326560 0.17804848 0.54346793 1\n C C5 1 -0.13291596 0.82668606 0.36834561 1\n C C6 1 0.54312593 0.17795827 0.54336323 1\n C C7 1 1.02920448 0.65081847 0.15805908 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31717000\n_cell_length_b 3.33561000\n_cell_length_c 4.68063000\n_cell_angle_alpha 110.90562000\n_cell_angle_beta 89.77745000\n_cell_angle_gamma 90.04417000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.38041746\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22108746 0.71221140 0.79294807 1\n C C1 1 0.47028880 -0.08540751 0.30984091 1\n C C2 1 0.57451902 0.39486333 0.80635736 1\n C C3 1 0.08977296 0.88384898 0.13705502 1\n C C4 1 0.79593355 0.25661333 0.28870643 1\n C C5 1 0.73597504 0.55179868 0.12274325 1\n C C6 1 0.51508632 0.93222914 0.64051242 1\n C C7 1 0.84058794 0.57074154 0.61908333 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56411000\n_cell_length_b 2.47938000\n_cell_length_c 5.72927000\n_cell_angle_alpha 102.42905000\n_cell_angle_beta 89.76137000\n_cell_angle_gamma 90.00038000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.56931307\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70753040 0.15056366 0.88976468 1\n C C1 1 0.70925350 0.57414838 0.73563484 1\n C C2 1 0.20690919 0.80321620 0.19491565 1\n C C3 1 0.20628022 0.23054458 1.05046408 1\n C C4 1 0.21173150 0.49557514 0.57514707 1\n C C5 1 0.21202559 0.92352014 0.43018568 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46953000\n_cell_length_b 5.13262000\n_cell_length_c 8.18800000\n_cell_angle_alpha 84.63769000\n_cell_angle_beta 81.34089000\n_cell_angle_gamma 90.00201000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 102.14171920\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71763008 1.04751051 0.93914405 1\n C C1 1 0.47081934 0.30174183 0.42111038 1\n C C2 1 0.29205615 0.42882021 0.79344110 1\n C C3 1 0.40316651 0.07019616 0.56330171 1\n C C4 1 0.78431331 0.83735692 0.81124039 1\n C C5 1 0.28405729 0.68365979 0.81257511 1\n C C6 1 0.16986901 0.05495708 0.03480804 1\n C C7 1 -0.14589779 0.06472448 0.66629895 1\n C C8 1 0.08913831 0.09517674 0.19411248 1\n C C9 1 0.54039586 0.09821122 0.29003813 1\n C C10 1 -0.02880785 0.45544235 0.41915104 1\n C C11 1 0.96487071 0.71080144 0.43397208 1\n C C12 1 0.46446233 0.86296765 0.43613313 1\n C C13 1 0.79282424 0.27640262 0.79084963 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47402000\n_cell_length_b 4.28092000\n_cell_length_c 4.80415000\n_cell_angle_alpha 116.49227000\n_cell_angle_beta 104.92484000\n_cell_angle_gamma 89.99940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61213949\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.40544893 0.37080074 0.13177162 1\n C C1 1 1.09455107 0.87080074 0.13177162 1\n C C2 1 0.28173141 0.05776102 0.50581210 1\n C C3 1 0.84467130 0.95404446 0.63176528 1\n C C4 1 0.34467130 0.45404446 0.63176528 1\n C C5 1 0.78173141 0.55776102 0.50581210 1\n C C6 1 0.53159432 0.64128869 0.00580485 1\n C C7 1 0.03159432 1.14128869 0.00580485 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41987000\n_cell_length_b 3.43176000\n_cell_length_c 5.73274000\n_cell_angle_alpha 75.32166000\n_cell_angle_beta 90.40090000\n_cell_angle_gamma 95.74254000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.74623625\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80876022 0.44799403 0.58038646 1\n C C1 1 0.50686472 0.78275781 0.19077529 1\n C C2 1 -0.02744745 0.37074609 0.97459917 1\n C C3 1 0.29793115 -0.08151218 0.60531205 1\n C C4 1 0.66723098 0.07414352 -0.03486036 1\n C C5 1 0.87719402 0.65163838 0.32942029 1\n C C6 1 0.56838624 0.12812331 0.71378608 1\n C C7 1 0.05143388 0.59929546 0.73492620 1\n C C8 1 0.22387972 -0.00878668 0.33950499 1\n C C9 1 0.15857232 0.42765075 0.19686054 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46081000\n_cell_length_b 4.71080000\n_cell_length_c 6.95344000\n_cell_angle_alpha 99.48079000\n_cell_angle_beta 79.92408000\n_cell_angle_gamma 121.48637000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.41987807\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40332790 0.71014654 0.52673496 1\n C C1 1 0.07550287 0.56452047 0.89169494 1\n C C2 1 0.39401998 0.36736951 0.86019618 1\n C C3 1 0.73218644 0.51729275 0.48407566 1\n C C4 1 1.15088283 0.73960986 0.09328115 1\n C C5 1 0.11484325 0.05123427 0.78837016 1\n C C6 1 0.69423832 0.82529610 0.17914369 1\n C C7 1 0.44402586 -0.14106520 0.74514488 1\n C C8 1 0.45486641 0.20163294 0.41003983 1\n C C9 1 0.77326624 1.00403885 0.37939897 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44551000\n_cell_length_b 6.19877000\n_cell_length_c 6.66611000\n_cell_angle_alpha 100.72946000\n_cell_angle_beta 99.20614000\n_cell_angle_gamma 88.46831000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 98.00653067\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45889727 0.41007981 0.46408137 1\n C C1 1 1.10750631 0.42038574 0.79857202 1\n C C2 1 0.56267116 0.45319908 0.70221708 1\n C C3 1 0.46656822 0.16279919 0.45518211 1\n C C4 1 0.18304937 0.27620189 -0.05534987 1\n C C5 1 0.71269932 0.93092819 -0.02845694 1\n C C6 1 0.25334138 0.85226248 1.05254189 1\n C C7 1 0.98882140 1.06532815 0.49207258 1\n C C8 1 0.06375730 0.91938139 0.63704679 1\n C C9 1 0.31803593 0.71048778 0.18280738 1\n C C10 1 0.85513063 0.63348858 0.25576121 1\n C C11 1 0.70502886 0.17860674 0.98147015 1\n C C12 1 0.60866010 0.88622670 0.73338354 1\n C C13 1 0.91882907 0.48849856 0.38319077 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48787000\n_cell_length_b 4.30430000\n_cell_length_c 4.30503000\n_cell_angle_alpha 80.39823000\n_cell_angle_beta 90.01584000\n_cell_angle_gamma 73.21764000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.46143699\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02747724 0.44926328 0.61416462 1\n C C1 1 0.52747724 0.44926328 0.11416462 1\n C C2 1 0.77720625 -0.05073682 0.86414227 1\n C C3 1 0.27720625 0.94926318 0.36414227 1\n C C4 1 0.83950818 0.82422209 0.55197574 1\n C C5 1 0.58977917 0.32422218 0.80199809 1\n C C6 1 0.08977917 0.32422218 0.30199809 1\n C C7 1 0.33950818 0.82422209 0.05197574 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47807000\n_cell_length_b 2.47817000\n_cell_length_c 6.77839000\n_cell_angle_alpha 68.55207000\n_cell_angle_beta 111.44818000\n_cell_angle_gamma 120.02818000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67046853\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81665730 0.36755069 0.13475864 1\n C C1 1 0.53937781 0.64753859 0.71648237 1\n C C2 1 0.26253608 -0.07470868 0.80042014 1\n C C3 1 -0.01831152 0.20289799 0.38206527 1\n C C4 1 0.42839754 0.75685959 0.05142440 1\n C C5 1 0.37089649 0.81390122 0.46546168 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.66456000\n_cell_length_b 2.48183000\n_cell_length_c 5.57212000\n_cell_angle_alpha 77.10369000\n_cell_angle_beta 70.78321000\n_cell_angle_gamma 89.99389000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.49821199\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37741608 0.76714570 0.70468167 1\n C C1 1 0.61083242 -0.00274922 0.23801105 1\n C C2 1 -0.01617284 0.11217347 0.01353694 1\n C C3 1 0.75103804 0.87654503 0.48014885 1\n C C4 1 0.98968605 0.37659498 0.47995439 1\n C C5 1 0.37148335 0.49715896 0.23833827 1\n C C6 1 0.22303947 0.61195970 0.01365786 1\n C C7 1 0.13910572 0.26755447 0.70438879 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.30424000\n_cell_length_b 5.77239000\n_cell_length_c 5.35829000\n_cell_angle_alpha 111.78170000\n_cell_angle_beta 73.19181000\n_cell_angle_gamma 103.75037000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 117.06423532\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47615687 0.80722133 0.84429640 1\n C C1 1 1.01803359 0.89895174 0.42437471 1\n C C2 1 0.14121902 0.79913998 0.86970965 1\n C C3 1 0.28329769 0.45824167 0.19452993 1\n C C4 1 0.94868322 0.45056859 0.21899409 1\n C C5 1 0.07339266 1.04481864 0.03164498 1\n C C6 1 0.58033354 0.13881504 0.46391973 1\n C C7 1 0.35184554 0.21323715 1.02989900 1\n C C8 1 0.63158352 0.07896803 0.90841518 1\n C C9 1 0.84491012 0.11861874 0.60005435 1\n C C10 1 0.48894283 0.67886263 0.29737854 1\n C C11 1 0.34952685 0.90129694 0.40271524 1\n C C12 1 0.93581662 0.57872296 0.76615324 1\n C C13 1 0.81398537 0.67199549 0.31435691 1\n C C14 1 0.07541514 0.35593701 0.65989322 1\n C C15 1 0.40630490 0.35795943 0.64069602 1\n C C16 1 0.61001228 0.58561033 0.75072674 1\n C C17 1 0.79374292 0.17921739 0.15546087 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48090000\n_cell_length_b 5.95997000\n_cell_length_c 5.96072000\n_cell_angle_alpha 119.49335000\n_cell_angle_beta 78.01255000\n_cell_angle_gamma 77.99691000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.88339659\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76851059 0.12162547 0.40126575 1\n C C1 1 0.90834749 0.35737958 0.88143906 1\n C C2 1 -0.04218059 0.73829929 0.40274527 1\n C C3 1 0.76883010 0.73643639 0.78607355 1\n C C4 1 0.69904017 0.33378582 0.32619908 1\n C C5 1 1.16516874 0.15412335 0.57438866 1\n C C6 1 0.69897586 0.66177530 0.99841794 1\n C C7 1 0.04627750 0.51289569 0.45237727 1\n C C8 1 0.04613706 0.78803845 0.17755914 1\n C C9 1 0.30572307 -0.10961051 0.55493601 1\n C C10 1 0.16550110 0.90952652 0.81850646 1\n C C11 1 0.90852321 0.21665634 0.02194271 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47821000\n_cell_length_b 3.53396000\n_cell_length_c 8.87592000\n_cell_angle_alpha 108.84128000\n_cell_angle_beta 73.77851000\n_cell_angle_gamma 110.54734000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.66946030\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54760187 0.81841009 0.13201430 1\n C C1 1 0.43883959 0.38017836 0.02314327 1\n C C2 1 0.38455907 0.47317093 0.62436718 1\n C C3 1 -0.05765293 0.99942312 0.83032925 1\n C C4 1 0.43217665 0.25458540 0.46900071 1\n C C5 1 -0.00466208 -0.09110944 0.22964690 1\n C C6 1 0.81012623 0.12015206 0.02108754 1\n C C7 1 0.95555116 1.13304384 0.38443855 1\n C C8 1 -0.16866486 0.56130812 0.72163265 1\n C C9 1 0.56941611 0.25905922 0.83225774 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41445000\n_cell_length_b 3.41743000\n_cell_length_c 6.54873000\n_cell_angle_alpha 104.90522000\n_cell_angle_beta 104.87388000\n_cell_angle_gamma 90.89026000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.09670698\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20429260 0.41401145 0.95108615 1\n C C1 1 0.39613706 0.97479340 0.69987729 1\n C C2 1 0.82821771 0.72437634 0.21797307 1\n C C3 1 0.42527043 0.82015133 0.07900068 1\n C C4 1 0.17395568 0.56879263 0.57160294 1\n C C5 1 0.67415921 0.06852066 0.57142951 1\n C C6 1 0.43650920 0.33146746 0.43173950 1\n C C7 1 0.08068460 0.29036636 0.69993499 1\n C C8 1 0.16101771 0.05712548 0.21812166 1\n C C9 1 0.52006683 0.09853981 0.95108705 1\n C C10 1 0.76951013 0.66451851 0.43186994 1\n C C11 1 0.92556532 0.32048417 0.07916111 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68163000\n_cell_length_b 3.68639000\n_cell_length_c 5.18114000\n_cell_angle_alpha 78.46349000\n_cell_angle_beta 61.38989000\n_cell_angle_gamma 52.61528000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.63404689\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86656625 0.40973420 0.68490338 1\n C C1 1 0.61332236 0.35651200 0.31950655 1\n C C2 1 0.74773125 0.59318432 0.42124168 1\n C C3 1 0.68512187 0.15677407 0.92136425 1\n C C4 1 0.06077428 0.97478006 0.05643454 1\n C C5 1 0.43167846 1.10355548 0.55598422 1\n C C6 1 0.55081711 0.91992414 0.81947658 1\n C C7 1 0.23755123 0.53820253 0.18440679 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51217000\n_cell_length_b 6.28275000\n_cell_length_c 5.54837000\n_cell_angle_alpha 43.13797000\n_cell_angle_beta 85.06310000\n_cell_angle_gamma 89.86809000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.42002984\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70880196 0.19786563 0.22484108 1\n C C1 1 0.28640476 0.67601604 0.35702178 1\n C C2 1 0.82715682 0.31620226 0.89823362 1\n C C3 1 -0.03409076 1.13901100 0.81723611 1\n C C4 1 0.69754755 0.87743370 0.55112911 1\n C C5 1 0.63670128 0.42914287 0.23014676 1\n C C6 1 0.44035401 0.93603994 -0.04126099 1\n C C7 1 1.12002458 0.39916968 0.41895506 1\n C C8 1 0.76980238 0.64609756 0.54598585 1\n C C9 1 0.57863363 0.75860713 0.87768793 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49697000\n_cell_length_b 3.27188000\n_cell_length_c 9.16195000\n_cell_angle_alpha 111.02907000\n_cell_angle_beta 97.64748000\n_cell_angle_gamma 67.71046000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.64511730\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22677025 0.47560655 0.30472131 1\n C C1 1 0.72274694 -0.02427368 0.80539505 1\n C C2 1 0.04017422 0.56080302 0.03065761 1\n C C3 1 0.04653061 0.95356840 0.42396696 1\n C C4 1 0.21990144 0.32138938 0.14891131 1\n C C5 1 0.22173248 0.06780240 0.89741888 1\n C C6 1 0.72341034 0.82295754 0.64995265 1\n C C7 1 0.40111359 0.84402269 1.03055341 1\n C C8 1 0.40809797 0.23629399 0.42376086 1\n C C9 1 0.22498287 0.72969090 0.55751674 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48118000\n_cell_length_b 3.68954000\n_cell_length_c 4.84467000\n_cell_angle_alpha 122.65997000\n_cell_angle_beta 104.80746000\n_cell_angle_gamma 70.32994000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00584617\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65729837 0.46732178 0.85327544 1\n C C1 1 0.23567033 0.17964208 0.72234744 1\n C C2 1 0.43750071 0.70583928 0.64654577 1\n C C3 1 0.91833199 0.52282825 0.42477894 1\n C C4 1 0.69571398 0.76157760 0.21849503 1\n C C5 1 0.11723941 1.04938111 0.34956068 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42627000\n_cell_length_b 2.43141000\n_cell_length_c 9.10285000\n_cell_angle_alpha 84.03974000\n_cell_angle_beta 111.73488000\n_cell_angle_gamma 119.95620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.99861756\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07779788 0.69755884 0.61883091 1\n C C1 1 0.56072390 0.53084560 0.29203801 1\n C C2 1 0.69246487 0.78889580 0.95830640 1\n C C3 1 0.74457270 1.03041780 0.61902296 1\n C C4 1 0.02699918 0.45611929 0.95885566 1\n C C5 1 -0.10596423 0.19815198 0.29196247 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.46225000\n_cell_length_b 3.77698000\n_cell_length_c 6.71864000\n_cell_angle_alpha 91.26095000\n_cell_angle_beta 100.30066000\n_cell_angle_gamma 90.03609000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 111.38162337\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02548321 0.44940653 0.57650843 1\n C C1 1 0.30838036 0.21507497 0.33887979 1\n C C2 1 0.68988345 0.83286631 0.53204438 1\n C C3 1 0.41503940 0.22371136 0.85988669 1\n C C4 1 1.05714591 0.81879607 0.89796391 1\n C C5 1 0.69005375 0.45067415 0.62072046 1\n C C6 1 0.48026213 0.14512039 0.53901640 1\n C C7 1 0.67065590 0.81316965 0.30086327 1\n C C8 1 -0.13500684 0.60714294 0.20922657 1\n C C9 1 0.43042180 1.01664954 0.20328592 1\n C C10 1 0.23359205 0.15079734 0.66072128 1\n C C11 1 0.05952761 0.42513058 0.35415585 1\n C C12 1 0.66431407 0.43190247 0.84376244 1\n C C13 1 0.30693589 0.01854792 0.99404246 1\n C C14 1 1.02544110 -0.16304989 0.66789745 1\n C C15 1 -0.13254018 0.61144438 0.98910161 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46606000\n_cell_length_b 6.14490000\n_cell_length_c 7.48094000\n_cell_angle_alpha 69.49696000\n_cell_angle_beta 80.49713000\n_cell_angle_gamma 90.01978000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 104.51772448\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.17420001 0.03466215 0.42733970 1\n C C1 1 0.51355658 0.21198666 0.05812323 1\n C C2 1 0.82130975 0.66016317 0.43360663 1\n C C3 1 0.26075429 0.62225700 0.55656426 1\n C C4 1 0.71456408 0.90278180 0.65138498 1\n C C5 1 0.46057200 0.95242927 0.16006019 1\n C C6 1 0.24354034 0.36233631 0.58406284 1\n C C7 1 0.53816834 0.84318674 0.00765561 1\n C C8 1 0.63643063 0.02388695 0.80218537 1\n C C9 1 0.80605988 0.39967175 0.45987390 1\n C C10 1 0.19321206 0.74264847 0.69744325 1\n C C11 1 0.07486769 0.29311459 0.93393739 1\n C C12 1 1.14795850 0.17986295 0.77845131 1\n C C13 1 0.53701282 0.59461903 1.01564718 1\n C C14 1 0.89279805 0.89557238 0.29232621 1\n C C15 1 -0.11702463 0.29086773 0.31514293 1\n C C16 1 1.09411402 0.56274481 0.90149375 1\n C C17 1 0.44885051 0.35599464 0.18704065 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42845000\n_cell_length_b 5.30947000\n_cell_length_c 5.88481000\n_cell_angle_alpha 98.08847000\n_cell_angle_beta 66.71594000\n_cell_angle_gamma 90.11085000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.88404083\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11517871 0.03286418 0.45780787 1\n C C1 1 0.30679569 0.84649555 0.77846959 1\n C C2 1 1.17545046 0.11006335 0.91754397 1\n C C3 1 0.64705209 0.15378250 0.42313901 1\n C C4 1 0.63841835 0.42390845 0.43267606 1\n C C5 1 0.10617414 0.55404181 0.46632371 1\n C C6 1 0.16883877 0.62989929 0.92315619 1\n C C7 1 0.64224947 0.24029018 0.95113833 1\n C C8 1 0.97217348 0.81789066 0.60549309 1\n C C9 1 -0.36422826 0.50969184 -0.04150250 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51775000\n_cell_length_b 4.80982000\n_cell_length_c 6.61346000\n_cell_angle_alpha 68.78776000\n_cell_angle_beta 76.85493000\n_cell_angle_gamma 72.81815000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.67398005\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46541027 0.43531464 0.33836514 1\n C C1 1 0.24432011 0.61830601 0.48890312 1\n C C2 1 0.93321825 0.91429270 0.78675535 1\n C C3 1 0.55796625 1.10121320 0.40621233 1\n C C4 1 0.62219140 0.42838439 0.86869951 1\n C C5 1 0.80133497 0.08065404 0.95782120 1\n C C6 1 0.63147577 0.61429142 0.14115757 1\n C C7 1 0.32536339 -0.05041613 0.10003190 1\n C C8 1 0.49875735 0.92919544 0.65010226 1\n C C9 1 0.67412332 0.60373377 0.62559177 1\n C C10 1 0.16743648 0.96533197 0.33242040 1\n C C11 1 0.98205114 0.57080016 0.93742325 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43111000\n_cell_length_b 3.54712000\n_cell_length_c 6.02402000\n_cell_angle_alpha 100.43441000\n_cell_angle_beta 83.62841000\n_cell_angle_gamma 121.94660000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34374923\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25451688 0.19353827 0.21453078 1\n C C1 1 0.81000831 0.30540531 0.32589859 1\n C C2 1 0.58742403 -0.14026412 0.88128374 1\n C C3 1 0.14237974 0.97097137 0.99280268 1\n C C4 1 -0.07809499 0.52762973 0.54770114 1\n C C5 1 0.47669673 0.63869214 0.65924446 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58152000\n_cell_length_b 4.22640000\n_cell_length_c 6.44206000\n_cell_angle_alpha 114.99331000\n_cell_angle_beta 102.93859000\n_cell_angle_gamma 76.91215000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.39166592\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08812436 0.91918034 0.71306306 1\n C C1 1 0.20794483 0.49749899 0.90985134 1\n C C2 1 0.26358765 0.13784014 0.13195831 1\n C C3 1 0.38249560 0.08770033 0.34295277 1\n C C4 1 1.11425373 0.86225298 0.92797964 1\n C C5 1 0.52908602 0.36351635 0.54687085 1\n C C6 1 0.43633429 0.72845456 0.56549164 1\n C C7 1 0.29107004 0.46814776 0.13563068 1\n C C8 1 0.35582718 0.75760080 0.33962394 1\n C C9 1 0.73157922 0.30676665 0.76192046 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42339000\n_cell_length_b 5.80445000\n_cell_length_c 4.20430000\n_cell_angle_alpha 46.09974000\n_cell_angle_beta 90.02686000\n_cell_angle_gamma 90.00829000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.61288308\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21046396 0.22804668 0.23008732 1\n C C1 1 0.21045468 0.57507806 0.82419927 1\n C C2 1 0.71048515 0.72736426 0.82559517 1\n C C3 1 0.71041617 0.66695088 0.23158144 1\n C C4 1 0.21048199 0.63528333 0.41790037 1\n C C5 1 0.71053235 0.07423119 0.41877134 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27057000\n_cell_length_b 4.83901000\n_cell_length_c 3.57669000\n_cell_angle_alpha 100.21140000\n_cell_angle_beta 103.66451000\n_cell_angle_gamma 108.42948000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.19574241\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20758836 0.71410085 0.67418898 1\n C C1 1 -0.08532821 0.68393411 0.27802532 1\n C C2 1 0.31969643 0.22805345 0.37376309 1\n C C3 1 0.92816150 -0.02402406 0.19478553 1\n C C4 1 0.59706478 -0.03306548 0.85503130 1\n C C5 1 0.45317461 0.42567484 0.11928034 1\n C C6 1 0.61094777 0.25867339 0.77025388 1\n C C7 1 0.07419696 0.51715490 0.92911276 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48365000\n_cell_length_b 5.01182000\n_cell_length_c 4.32444000\n_cell_angle_alpha 109.50337000\n_cell_angle_beta 113.28922000\n_cell_angle_gamma 94.43158000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.22421523\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83851509 0.23400177 0.39471262 1\n C C1 1 0.15751063 0.75978484 0.34712585 1\n C C2 1 0.71521743 0.51813828 0.95731686 1\n C C3 1 0.62983503 0.23389709 1.00484843 1\n C C4 1 1.03757689 0.51823611 0.72645327 1\n C C5 1 0.24270104 1.04326428 0.29926106 1\n C C6 1 0.83639825 0.75979736 0.57814743 1\n C C7 1 0.03504623 0.04328558 0.90967418 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36717000\n_cell_length_b 3.91304000\n_cell_length_c 3.63110000\n_cell_angle_alpha 110.02305000\n_cell_angle_beta 81.86512000\n_cell_angle_gamma 82.55317000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.67570917\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45564522 0.45611121 0.25011616 1\n C C1 1 0.95355541 0.95532639 0.19076287 1\n C C2 1 0.95391131 0.95557834 0.80916255 1\n C C3 1 0.64834725 0.26350553 0.46313559 1\n C C4 1 0.64823471 0.26330530 0.84453927 1\n C C5 1 1.14633390 0.76256993 0.40354705 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47624000\n_cell_length_b 4.86230000\n_cell_length_c 5.39578000\n_cell_angle_alpha 124.58919000\n_cell_angle_beta 62.67944000\n_cell_angle_gamma 120.62282000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.68283910\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64418534 0.61919360 0.29740026 1\n C C1 1 0.01542262 -0.01052257 0.29756305 1\n C C2 1 -0.06282929 0.56657524 0.45230622 1\n C C3 1 0.56777133 0.19711790 0.45250232 1\n C C4 1 0.82323260 0.44110167 0.94067956 1\n C C5 1 0.27088389 0.23346120 0.78574030 1\n C C6 1 0.90148451 0.86400386 0.78593639 1\n C C7 1 1.19446988 0.81138550 -0.05915765 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48034000\n_cell_length_b 4.84780000\n_cell_length_c 9.18738000\n_cell_angle_alpha 106.59599000\n_cell_angle_beta 102.01874000\n_cell_angle_gamma 92.58965000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 102.90071772\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95911875 1.10136531 0.44394086 1\n C C1 1 0.88579136 1.04009697 0.09899588 1\n C C2 1 0.12626706 0.64155583 0.58180151 1\n C C3 1 0.28776465 0.73170657 0.88384000 1\n C C4 1 0.03492939 0.40611700 0.41725608 1\n C C5 1 0.87225373 0.53319616 0.09167492 1\n C C6 1 0.78901521 0.05920245 0.76673835 1\n C C7 1 0.61221041 0.90602260 0.29243635 1\n C C8 1 0.71330398 0.23143741 0.00954043 1\n C C9 1 0.43907687 0.09757625 0.20278151 1\n C C10 1 0.48884486 0.40145296 0.31357376 1\n C C11 1 0.64801407 0.82930985 0.60479446 1\n C C12 1 0.53540776 0.08104242 0.53555442 1\n C C13 1 0.36506689 0.03769877 0.85785937 1\n C C14 1 0.19692772 0.49870032 0.72018574 1\n C C15 1 0.83296483 0.73572602 0.98783133 1\n C C16 1 0.67477721 0.31100141 0.69750807 1\n C C17 1 0.45261448 0.60419019 0.21006426 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42537000\n_cell_length_b 3.84332000\n_cell_length_c 5.54390000\n_cell_angle_alpha 84.23028000\n_cell_angle_beta 64.13003000\n_cell_angle_gamma 71.78200000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.12882377\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69207194 0.96379480 0.31393026 1\n C C1 1 0.58141456 0.74123919 0.53649177 1\n C C2 1 -0.08525041 0.40791311 0.86983120 1\n C C3 1 0.35873690 0.29712089 -0.01940917 1\n C C4 1 1.02548831 0.63035495 0.64721339 1\n C C5 1 0.24799819 0.07467904 0.20320864 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48061000\n_cell_length_b 5.09060000\n_cell_length_c 4.84144000\n_cell_angle_alpha 98.10666000\n_cell_angle_beta 104.80551000\n_cell_angle_gamma 136.97374000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99813416\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08507191 0.82774346 0.22935111 1\n C C1 1 0.71418050 0.77125936 0.65768070 1\n C C2 1 0.08197503 0.11545553 0.36031494 1\n C C3 1 0.46191870 0.24446921 0.73328253 1\n C C4 1 0.82971322 0.58866537 0.43591676 1\n C C5 1 0.45882181 0.53218128 0.86424635 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50399000\n_cell_length_b 3.29774000\n_cell_length_c 6.51456000\n_cell_angle_alpha 93.70882000\n_cell_angle_beta 80.15337000\n_cell_angle_gamma 112.20244000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.07176373\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18038710 0.39503604 1.00878493 1\n C C1 1 1.02774982 0.39461860 0.33918232 1\n C C2 1 0.63143127 0.03470718 0.70455720 1\n C C3 1 -0.10967122 0.39362528 0.54665284 1\n C C4 1 0.92462266 1.03609762 0.18121152 1\n C C5 1 -0.00771546 0.75118842 0.70448470 1\n C C6 1 0.73623812 0.39376407 0.87798114 1\n C C7 1 0.28576311 0.75279748 0.18112734 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43158000\n_cell_length_b 6.10976000\n_cell_length_c 6.68903000\n_cell_angle_alpha 135.98102000\n_cell_angle_beta 112.10212000\n_cell_angle_gamma 89.59741000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.37481784\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14240532 0.35615112 0.17643975 1\n C C1 1 0.39172203 -0.14417438 0.92571296 1\n C C2 1 0.05745109 0.18820088 0.59125129 1\n C C3 1 0.80758148 0.68826323 0.84138622 1\n C C4 1 -0.10819906 0.85585572 0.42581607 1\n C C5 1 0.30830426 0.68861342 0.34213997 1\n C C6 1 0.64110830 0.35553696 0.67509548 1\n C C7 1 0.55840898 0.18867495 0.09226515 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35164000\n_cell_length_b 4.34583000\n_cell_length_c 4.92196000\n_cell_angle_alpha 100.78745000\n_cell_angle_beta 102.56438000\n_cell_angle_gamma 118.57412000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.79659544\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37306456 0.50226054 0.50079901 1\n C C1 1 0.45453282 0.72640491 0.07182354 1\n C C2 1 0.23992357 0.43765479 0.77105884 1\n C C3 1 0.05659725 0.52228146 0.23445932 1\n C C4 1 -0.17891981 0.86099677 0.57777188 1\n C C5 1 0.38657827 0.16865198 0.36164055 1\n C C6 1 0.69048047 0.15516234 0.63476587 1\n C C7 1 0.34186661 0.12667513 0.80460991 1\n C C8 1 0.91835871 0.81197384 0.29335802 1\n C C9 1 0.55478454 0.13259553 0.10387947 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47529000\n_cell_length_b 4.43794000\n_cell_length_c 5.96580000\n_cell_angle_alpha 90.87552000\n_cell_angle_beta 78.00539000\n_cell_angle_gamma 56.15992000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.54818493\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28414520 0.96334590 0.68248436 1\n C C1 1 0.68346502 0.32651658 0.15880795 1\n C C2 1 0.83449608 0.07950453 0.34929884 1\n C C3 1 0.24412161 0.67188644 0.34643276 1\n C C4 1 0.32636559 0.25075310 0.02420296 1\n C C5 1 0.13326465 0.20931870 0.49158882 1\n C C6 1 0.63942881 1.04061681 -0.18314097 1\n C C7 1 0.72393903 0.61735584 0.49538257 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47477000\n_cell_length_b 4.80630000\n_cell_length_c 4.65571000\n_cell_angle_alpha 79.32863000\n_cell_angle_beta 95.93394000\n_cell_angle_gamma 104.22805000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.92865391\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74999042 0.86732900 0.44718594 1\n C C1 1 -0.00463694 -0.03786787 0.68964418 1\n C C2 1 -0.00334157 0.26891874 0.68756127 1\n C C3 1 1.24238184 0.36170965 0.93061481 1\n C C4 1 -0.24639927 0.35983446 0.44765033 1\n C C5 1 0.36392009 0.61396226 0.05564750 1\n C C6 1 0.23806390 0.86916652 0.92953223 1\n C C7 1 0.61489434 0.11252814 0.31196965 1\n C C8 1 0.62858095 0.61496822 0.32193463 1\n C C9 1 0.37504734 1.11547367 0.06619177 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46044000\n_cell_length_b 3.86398000\n_cell_length_c 9.03630000\n_cell_angle_alpha 93.26430000\n_cell_angle_beta 82.23272000\n_cell_angle_gamma 89.95038000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 84.97943491\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84464074 0.12132775 0.38423509 1\n C C1 1 0.38503295 0.57568519 0.29358501 1\n C C2 1 -0.02655929 0.17144708 0.10915457 1\n C C3 1 0.08677449 0.63532232 0.88584752 1\n C C4 1 0.69690943 0.37908705 0.67377411 1\n C C5 1 0.34565839 -0.08505258 0.38251867 1\n C C6 1 0.55823006 0.77053263 0.94094322 1\n C C7 1 0.15822962 0.43206787 0.74791669 1\n C C8 1 0.50127079 1.03836058 0.05458517 1\n C C9 1 0.78090208 0.41678817 0.50958681 1\n C C10 1 0.30232041 0.59792255 0.46474894 1\n C C11 1 0.90501253 0.37914871 0.25228040 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51409000\n_cell_length_b 4.74641000\n_cell_length_c 6.46054000\n_cell_angle_alpha 80.07373000\n_cell_angle_beta 77.10468000\n_cell_angle_gamma 70.71323000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.52206435\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80605415 0.74368742 0.56651470 1\n C C1 1 0.79971839 0.69462463 0.13795444 1\n C C2 1 -0.11389525 0.78857588 0.89585415 1\n C C3 1 0.93876681 0.36834872 0.22775450 1\n C C4 1 0.09433555 0.15395127 1.05467669 1\n C C5 1 0.15422166 0.85920787 0.19882113 1\n C C6 1 0.65160702 0.36659515 0.72561546 1\n C C7 1 1.19314578 0.41657912 0.58003016 1\n C C8 1 0.67393785 0.13422162 0.91633805 1\n C C9 1 0.79125981 -0.04870340 0.40524737 1\n C C10 1 0.50449526 0.69132571 0.78847402 1\n C C11 1 0.43515606 0.27681081 0.36927703 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47505000\n_cell_length_b 3.72206000\n_cell_length_c 4.24818000\n_cell_angle_alpha 64.02253000\n_cell_angle_beta 90.00515000\n_cell_angle_gamma 90.00874000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18144628\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55222650 1.11135437 0.62591304 1\n C C1 1 0.05213912 0.31415557 0.40319784 1\n C C2 1 1.05228782 0.15707273 0.12527369 1\n C C3 1 0.55222164 0.26786051 0.90392026 1\n C C4 1 0.55225061 0.70268955 0.62603035 1\n C C5 1 0.05221331 0.72265847 0.40300122 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.81086000\n_cell_length_b 4.68742000\n_cell_length_c 3.92523000\n_cell_angle_alpha 83.74416000\n_cell_angle_beta 102.38668000\n_cell_angle_gamma 58.27004000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.13450957\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20271638 0.49607946 0.09443659 1\n C C1 1 0.86787228 0.82809838 0.09667245 1\n C C2 1 0.61809408 0.32797554 0.34643852 1\n C C3 1 0.36787228 0.82809838 0.59667245 1\n C C4 1 -0.04658064 0.99626552 0.34414313 1\n C C5 1 0.11809408 0.32797554 0.84643852 1\n C C6 1 0.45341936 0.99626552 0.84414313 1\n C C7 1 0.70271638 0.49607946 0.59443659 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46552000\n_cell_length_b 3.38834000\n_cell_length_c 5.26162000\n_cell_angle_alpha 88.38927000\n_cell_angle_beta 90.00270000\n_cell_angle_gamma 111.38352000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.91117183\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01603880 0.12199544 0.97000033 1\n C C1 1 0.57542293 0.30417959 0.84395175 1\n C C2 1 0.16974903 0.48846692 0.16827812 1\n C C3 1 0.13230258 0.41551769 0.44326963 1\n C C4 1 0.61274734 0.37526824 0.56922924 1\n C C5 1 0.76195772 0.67242941 0.04360343 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48011000\n_cell_length_b 3.60034000\n_cell_length_c 8.35396000\n_cell_angle_alpha 68.98719000\n_cell_angle_beta 63.53570000\n_cell_angle_gamma 69.84277000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.79387919\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04748721 0.38259024 0.60663569 1\n C C1 1 0.79911978 0.12944201 0.18892954 1\n C C2 1 0.42558355 0.60300055 0.94693916 1\n C C3 1 -0.15539112 0.68900917 0.30653081 1\n C C4 1 0.53629213 0.52957347 0.23157642 1\n C C5 1 0.22125207 0.91395280 0.64698650 1\n C C6 1 0.46873165 0.16272904 0.06451437 1\n C C7 1 0.57929126 0.60067231 0.51286428 1\n C C8 1 0.69123101 0.69471280 0.74035429 1\n C C9 1 0.73258215 0.76182091 1.02234623 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46700000\n_cell_length_b 5.70419000\n_cell_length_c 6.65644000\n_cell_angle_alpha 70.45225000\n_cell_angle_beta 92.76872000\n_cell_angle_gamma 86.14646000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.82252165\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.14859428 0.20785766 0.46681520 1\n C C1 1 0.56937089 0.43554629 0.89891579 1\n C C2 1 -0.04678528 0.46600118 0.43419881 1\n C C3 1 0.23293687 0.76749548 0.14486914 1\n C C4 1 0.65418858 0.35741615 0.13272171 1\n C C5 1 0.22240314 0.91024681 0.90984525 1\n C C6 1 0.75143024 0.59402925 0.20579921 1\n C C7 1 1.04651776 0.48439235 0.79444511 1\n C C8 1 0.74291021 0.85939270 0.44678451 1\n C C9 1 0.70811886 0.96109602 0.80239260 1\n C C10 1 0.68701069 0.05561556 0.56490615 1\n C C11 1 -0.08093075 0.59347278 0.56645016 1\n C C12 1 0.17606599 0.21018327 0.23502269 1\n C C13 1 0.21926513 0.92551551 0.29733617 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46110000\n_cell_length_b 3.63231000\n_cell_length_c 4.48912000\n_cell_angle_alpha 106.32040000\n_cell_angle_beta 95.40234000\n_cell_angle_gamma 116.56202000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.29979798\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72205274 0.62111687 0.08476575 1\n C C1 1 -0.15315507 1.03472154 0.64066922 1\n C C2 1 0.41442186 0.89495435 0.08500829 1\n C C3 1 0.88271971 0.28091751 0.40652925 1\n C C4 1 0.45271604 0.14098294 0.85124214 1\n C C5 1 0.57490130 0.55440429 0.40651475 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.58231000\n_cell_length_b 4.33945000\n_cell_length_c 4.64040000\n_cell_angle_alpha 93.14371000\n_cell_angle_beta 98.86522000\n_cell_angle_gamma 122.24174000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.46799466\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34266155 0.39822961 0.20044059 1\n C C1 1 -0.12711686 0.48883124 0.72275758 1\n C C2 1 0.87366603 0.16461836 0.72195798 1\n C C3 1 0.11505146 0.78505936 -0.03179637 1\n C C4 1 0.11350997 0.10875458 -0.03050535 1\n C C5 1 0.65063760 0.55184624 0.48787789 1\n C C6 1 0.65109936 0.87828846 0.48739744 1\n C C7 1 0.34335598 0.72445584 0.19982575 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43763000\n_cell_length_b 3.43667000\n_cell_length_c 4.91499000\n_cell_angle_alpha 56.78377000\n_cell_angle_beta 79.11279000\n_cell_angle_gamma 86.86147000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.61998172\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49328151 0.33974033 0.65208773 1\n C C1 1 0.02647208 -0.25252111 0.23106205 1\n C C2 1 1.01455788 0.86050315 0.65240550 1\n C C3 1 0.12322245 0.03038345 0.85327805 1\n C C4 1 0.79839146 0.26586849 0.42054694 1\n C C5 1 0.68961013 0.09553858 0.21990459 1\n C C6 1 0.31814069 0.78697802 0.42074140 1\n C C7 1 0.78587630 0.37883860 0.84195004 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48043000\n_cell_length_b 3.68852000\n_cell_length_c 4.21530000\n_cell_angle_alpha 75.24540000\n_cell_angle_beta 89.92565000\n_cell_angle_gamma 70.38860000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98079352\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49229699 -0.00684478 0.78723103 1\n C C1 1 0.27177738 0.43813636 0.58123234 1\n C C2 1 0.23200693 0.51049605 0.21599010 1\n C C3 1 1.01171886 -0.04470485 0.00987521 1\n C C4 1 0.69338211 0.59475921 0.71243450 1\n C C5 1 0.81053562 0.35354460 0.08496403 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43877000\n_cell_length_b 5.19357000\n_cell_length_c 4.68967000\n_cell_angle_alpha 123.63687000\n_cell_angle_beta 74.87744000\n_cell_angle_gamma 90.03076000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.96874078\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86618180 1.05770858 0.67538288 1\n C C1 1 1.26409856 0.79020660 -0.12216407 1\n C C2 1 0.36639240 0.23474849 0.67552557 1\n C C3 1 0.46571972 0.58814424 0.47316876 1\n C C4 1 0.52357388 0.26409795 0.36113207 1\n C C5 1 0.01878605 0.69738582 0.36920039 1\n C C6 1 0.20782530 0.57831116 -0.01009980 1\n C C7 1 0.71195809 0.00378606 -0.01799170 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51411000\n_cell_length_b 4.83329000\n_cell_length_c 3.51881000\n_cell_angle_alpha 68.68183000\n_cell_angle_beta 60.01713000\n_cell_angle_gamma 43.34351000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53189735\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58878814 0.66367413 0.10323220 1\n C C1 1 0.61765688 0.32990941 0.10300817 1\n C C2 1 0.19050542 0.83011791 0.56691985 1\n C C3 1 0.55222094 0.16354864 0.56710666 1\n C C4 1 0.21940564 0.49675036 0.87075170 1\n C C5 1 0.25512288 0.99677555 0.79942102 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48195000\n_cell_length_b 4.89723000\n_cell_length_c 3.68806000\n_cell_angle_alpha 113.04102000\n_cell_angle_beta 70.34245000\n_cell_angle_gamma 120.48681000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00690881\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66465694 0.55427792 -0.22552109 1\n C C1 1 0.35091381 0.98265812 0.25901000 1\n C C2 1 0.64106405 0.85183444 0.41618700 1\n C C3 1 0.36685160 0.77609561 0.81358502 1\n C C4 1 0.39008775 0.47856193 0.17239076 1\n C C5 1 0.68140946 0.34780009 0.32870800 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41897000\n_cell_length_b 4.59935000\n_cell_length_c 14.73729000\n_cell_angle_alpha 48.50410000\n_cell_angle_beta 89.99132000\n_cell_angle_gamma 74.75040000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 114.99333047\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65988723 0.77874177 -0.09003092 1\n C C1 1 0.88042824 0.34250938 0.36361182 1\n C C2 1 0.78243446 0.53243507 0.70202497 1\n C C3 1 0.35890772 1.38205057 0.49767865 1\n C C4 1 0.59511699 -0.08213689 -0.02082920 1\n C C5 1 0.42519767 0.26674958 0.12559626 1\n C C6 1 0.36255247 0.37751985 0.87705042 1\n C C7 1 0.22044667 0.65532397 0.89682022 1\n C C8 1 0.87527442 0.34956597 0.45734306 1\n C C9 1 -0.20056356 0.49354287 0.61509814 1\n C C10 1 0.31760617 0.45710413 0.57570312 1\n C C11 1 0.29615351 0.50446653 0.75522245 1\n C C12 1 0.35405861 0.39792592 0.30512564 1\n C C13 1 1.02045376 0.07558848 0.14484310 1\n C C14 1 0.20443883 0.70110246 0.06926557 1\n C C15 1 1.20566242 0.69899495 0.16903881 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48465000\n_cell_length_b 4.08697000\n_cell_length_c 4.67830000\n_cell_angle_alpha 96.69096000\n_cell_angle_beta 105.43495000\n_cell_angle_gamma 89.99133000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45774601\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62251970 0.12983361 0.70779524 1\n C C1 1 0.73602533 0.43590943 0.93907452 1\n C C2 1 0.90777449 0.36789444 0.27996260 1\n C C3 1 0.23511013 0.66268576 0.93756646 1\n C C4 1 0.45141329 0.19748035 0.36602910 1\n C C5 1 0.39249832 0.84163153 0.25198577 1\n C C6 1 -0.03483021 0.72344618 0.39622341 1\n C C7 1 0.12381115 -0.09523229 0.71061911 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46025000\n_cell_length_b 6.66705000\n_cell_length_c 5.62000000\n_cell_angle_alpha 86.45906000\n_cell_angle_beta 90.00063000\n_cell_angle_gamma 90.01219000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.00668089\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88311482 0.62862909 0.12738928 1\n C C1 1 0.38332649 -0.02332536 0.08748555 1\n C C2 1 0.88337215 0.39832823 0.07275185 1\n C C3 1 0.38322066 0.60542080 0.54758024 1\n C C4 1 -0.11667448 0.02834773 0.23300902 1\n C C5 1 0.88305023 0.89007353 0.67268386 1\n C C6 1 -0.11690252 0.87932110 0.42272608 1\n C C7 1 0.88340128 0.28294002 0.55664361 1\n C C8 1 0.38311867 0.76678875 0.74881051 1\n C C9 1 -0.11683414 0.66452988 0.39378157 1\n C C10 1 0.38341538 0.34658384 0.92539647 1\n C C11 1 0.38331679 0.12491723 0.88315479 1\n C C12 1 0.88323777 0.24567599 0.29513702 1\n C C13 1 0.38312009 0.73916718 0.02083244 1\n C C14 1 0.88329984 0.09909586 0.73698257 1\n C C15 1 0.38330778 0.39561554 0.64518984 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44845000\n_cell_length_b 5.51003000\n_cell_length_c 5.75826000\n_cell_angle_alpha 123.98626000\n_cell_angle_beta 77.73961000\n_cell_angle_gamma 102.79795000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.43623605\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20086832 0.51457018 0.80651765 1\n C C1 1 0.91646955 1.07730139 -0.06564816 1\n C C2 1 0.63612547 0.94966687 0.36279743 1\n C C3 1 1.06633302 -0.11056910 0.44158160 1\n C C4 1 0.47664658 0.26831580 0.00361318 1\n C C5 1 0.92129099 0.79319757 0.64449754 1\n C C6 1 0.35489377 0.32812065 0.31403316 1\n C C7 1 0.35187731 0.61188737 0.60400761 1\n C C8 1 0.79283203 0.13659714 0.24475486 1\n C C9 1 0.63037046 0.45434074 0.88523433 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55569000\n_cell_length_b 4.61689000\n_cell_length_c 7.96035000\n_cell_angle_alpha 84.84338000\n_cell_angle_beta 80.59757000\n_cell_angle_gamma 56.70930000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.45833300\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46451533 0.55971432 0.66411415 1\n C C1 1 0.86979155 1.07199864 0.83053739 1\n C C2 1 0.28209847 0.93285087 0.27839852 1\n C C3 1 0.29492766 0.56066291 1.00304770 1\n C C4 1 0.86993124 0.43712220 0.09757179 1\n C C5 1 0.24957980 1.05731781 0.09761002 1\n C C6 1 0.65490671 0.56135575 0.27829643 1\n C C7 1 0.92115147 -0.06603021 0.00310261 1\n C C8 1 0.51955165 0.42291476 0.83048276 1\n C C9 1 0.82862637 0.24750103 0.55779939 1\n C C10 1 -0.08313683 0.24704623 0.38183681 1\n C C11 1 0.08799037 0.93546408 0.66421142 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.21518000\n_cell_length_b 4.34372000\n_cell_length_c 5.40558000\n_cell_angle_alpha 66.34178000\n_cell_angle_beta 62.53084000\n_cell_angle_gamma 65.67279000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.91417077\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84073484 0.42968573 0.56890880 1\n C C1 1 -0.15143382 -0.00890253 0.09112656 1\n C C2 1 -0.15216955 0.60626877 0.86117714 1\n C C3 1 0.84413266 0.37024730 0.33730229 1\n C C4 1 0.84603612 0.66521318 0.09236434 1\n C C5 1 0.83565873 0.75651398 0.57041269 1\n C C6 1 0.85309073 0.27938417 0.85961519 1\n C C7 1 0.84157230 1.04435950 0.33845518 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43143000\n_cell_length_b 3.12283000\n_cell_length_c 7.97503000\n_cell_angle_alpha 86.85306000\n_cell_angle_beta 84.66332000\n_cell_angle_gamma 75.69941000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.39123603\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02807374 0.71715430 0.47113757 1\n C C1 1 1.02843829 1.05051533 0.13762554 1\n C C2 1 0.52807699 -0.03298631 0.22113282 1\n C C3 1 0.02791889 0.21787840 -0.02876554 1\n C C4 1 0.52827834 0.30131741 0.88769060 1\n C C5 1 0.52783092 0.46802481 0.72123773 1\n C C6 1 0.52857472 0.80010105 0.38757224 1\n C C7 1 1.02838352 0.55096142 0.63765053 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45451000\n_cell_length_b 4.84306000\n_cell_length_c 6.28397000\n_cell_angle_alpha 112.69884000\n_cell_angle_beta 89.97635000\n_cell_angle_gamma 90.00274000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.91388000\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03867744 0.93796679 0.40561116 1\n C C1 1 -0.03810928 0.56425317 0.65885526 1\n C C2 1 0.46149737 -0.20395785 0.25424748 1\n C C3 1 0.46141922 0.46194449 0.16912061 1\n C C4 1 0.46183234 0.32426238 0.89501256 1\n C C5 1 -0.03871500 0.32058763 0.22901334 1\n C C6 1 0.96181274 0.86160335 0.61595431 1\n C C7 1 -0.03844288 0.02636348 0.03206016 1\n C C8 1 -0.03876816 0.27802213 0.44794932 1\n C C9 1 0.46185503 0.57316352 0.81031102 1\n C C10 1 0.96186692 0.12338467 0.83482044 1\n C C11 1 0.46153875 0.85507285 0.03218484 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43563000\n_cell_length_b 3.45784000\n_cell_length_c 5.76745000\n_cell_angle_alpha 104.74738000\n_cell_angle_beta 126.62032000\n_cell_angle_gamma 93.96774000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.97805980\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30701460 0.57923312 0.95640178 1\n C C1 1 0.10010311 0.18031065 0.43566359 1\n C C2 1 -0.09626930 0.32326182 0.61251094 1\n C C3 1 0.69702023 0.92436384 1.09167636 1\n C C4 1 0.45177681 0.52259525 0.44549679 1\n C C5 1 0.21284747 0.41865314 0.11837268 1\n C C6 1 0.55197550 0.98058120 0.60244919 1\n C C7 1 0.79269247 0.08368469 0.92962557 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42386000\n_cell_length_b 4.18583000\n_cell_length_c 5.71945000\n_cell_angle_alpha 133.17924000\n_cell_angle_beta 89.94463000\n_cell_angle_gamma 90.04677000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.31552433\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63404478 0.29940835 0.51793130 1\n C C1 1 1.13391384 0.70586942 0.42363919 1\n C C2 1 0.13380185 0.89398243 1.01703142 1\n C C3 1 0.63397685 0.89360467 0.45790023 1\n C C4 1 0.63381380 0.70441083 0.86425547 1\n C C5 1 0.13423248 0.29994750 0.36286090 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42936000\n_cell_length_b 4.39322000\n_cell_length_c 8.56911000\n_cell_angle_alpha 40.92774000\n_cell_angle_beta 93.79062000\n_cell_angle_gamma 103.12204000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.54681346\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12873534 0.57187346 0.70583268 1\n C C1 1 0.21176405 0.32258906 0.12166557 1\n C C2 1 0.37874021 0.82187765 -0.04411839 1\n C C3 1 0.96177126 0.07256725 0.87166212 1\n C C4 1 0.46176351 0.57259891 0.37162976 1\n C C5 1 0.62873589 0.07188711 0.20587611 1\n C C6 1 0.71176658 0.82258557 0.62161195 1\n C C7 1 0.87872965 0.32188458 0.45583451 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47512000\n_cell_length_b 3.72190000\n_cell_length_c 4.24882000\n_cell_angle_alpha 63.99898000\n_cell_angle_beta 89.98928000\n_cell_angle_gamma 90.00399000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17917859\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80960448 0.90434124 0.71185902 1\n C C1 1 0.80968430 0.33917659 0.43392392 1\n C C2 1 0.30970863 0.44953895 0.21268947 1\n C C3 1 0.30955625 0.29268464 0.93467416 1\n C C4 1 0.81015850 0.49558685 0.71201433 1\n C C5 1 0.30920214 0.88403433 0.93482951 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42639000\n_cell_length_b 4.87527000\n_cell_length_c 4.45426000\n_cell_angle_alpha 96.33508000\n_cell_angle_beta 113.45913000\n_cell_angle_gamma 97.60803000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.55891576\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27120777 0.59645979 0.71182284 1\n C C1 1 0.12366564 0.71726869 0.19166154 1\n C C2 1 -0.21608808 0.49351241 0.46453252 1\n C C3 1 0.35547752 0.82972735 0.98457366 1\n C C4 1 0.85524862 0.43055758 1.14047444 1\n C C5 1 0.77206317 -0.00419347 0.55611086 1\n C C6 1 0.50439077 0.70944488 0.50566117 1\n C C7 1 0.53322802 0.23839660 0.51008272 1\n C C8 1 0.84293539 0.93231863 0.23179841 1\n C C9 1 0.17246552 0.09210759 0.87722278 1\n C C10 1 0.09269096 0.18704496 0.18572115 1\n C C11 1 0.45503230 0.33478220 0.81918541 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44299000\n_cell_length_b 5.62913000\n_cell_length_c 7.30702000\n_cell_angle_alpha 115.21405000\n_cell_angle_beta 90.06579000\n_cell_angle_gamma 102.32012000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 88.33494110\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82292455 0.75711324 0.86264564 1\n C C1 1 0.39187187 0.89663236 -0.01205196 1\n C C2 1 0.66649747 0.43500222 1.02436610 1\n C C3 1 0.24286046 0.59084508 0.15321318 1\n C C4 1 0.04040252 0.17473428 0.50259001 1\n C C5 1 0.81538504 0.74552191 0.65785597 1\n C C6 1 0.29344335 0.69941081 0.55626930 1\n C C7 1 0.67064956 0.43932057 0.81936290 1\n C C8 1 0.38135257 0.86806559 0.18363609 1\n C C9 1 0.11261165 0.32052957 0.70328591 1\n C C10 1 0.20699376 0.51671623 0.33627600 1\n C C11 1 0.54412364 0.19283751 1.06334461 1\n C C12 1 0.61834731 0.33475184 0.28801503 1\n C C13 1 0.51547545 0.12478550 0.37664551 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43882000\n_cell_length_b 4.22642000\n_cell_length_c 6.52930000\n_cell_angle_alpha 89.87154000\n_cell_angle_beta 100.73542000\n_cell_angle_gamma 89.98938000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.12252826\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62079147 0.69740460 0.86905071 1\n C C1 1 0.29019392 0.09462211 0.21909590 1\n C C2 1 1.11543029 0.54024185 0.85710953 1\n C C3 1 0.07906878 0.20119386 0.79149114 1\n C C4 1 0.41268836 0.69850730 0.46299529 1\n C C5 1 0.40572384 1.04996084 0.44986061 1\n C C6 1 0.62579294 1.04828146 0.88499605 1\n C C7 1 0.91994064 0.54162419 0.47778321 1\n C C8 1 0.73807433 1.09364014 0.11474141 1\n C C9 1 0.95338391 0.20186374 0.54390935 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42963000\n_cell_length_b 2.43018000\n_cell_length_c 8.47889000\n_cell_angle_alpha 96.26243000\n_cell_angle_beta 87.16325000\n_cell_angle_gamma 120.01217000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.09114934\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47037103 0.28708056 0.67985221 1\n C C1 1 0.53214246 0.14676613 0.34717535 1\n C C2 1 0.39850749 0.44857831 0.01239148 1\n C C3 1 0.80402548 0.95373810 0.67989462 1\n C C4 1 0.19972032 0.48016730 0.34677534 1\n C C5 1 0.06556172 0.78239099 0.01243480 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.11560000\n_cell_length_b 4.26447000\n_cell_length_c 4.87268000\n_cell_angle_alpha 102.02816000\n_cell_angle_beta 112.53873000\n_cell_angle_gamma 76.89796000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.70520492\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86035002 0.64916963 0.11917909 1\n C C1 1 0.54904209 0.65520949 0.80804566 1\n C C2 1 0.17693819 0.33784750 0.12437654 1\n C C3 1 0.54619463 0.20246863 0.35825467 1\n C C4 1 0.86208673 0.89114560 0.36257849 1\n C C5 1 0.17475425 0.88507984 0.67506060 1\n C C6 1 1.04802831 0.17644591 0.83578017 1\n C C7 1 0.67506427 0.36358249 0.64718179 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47761000\n_cell_length_b 6.96288000\n_cell_length_c 8.17438000\n_cell_angle_alpha 84.19439000\n_cell_angle_beta 84.08175000\n_cell_angle_gamma 88.12882000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 139.51241622\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08295984 0.04264537 0.26384938 1\n C C1 1 -0.14393983 0.73387632 0.41716661 1\n C C2 1 0.58874048 0.41905424 0.91371442 1\n C C3 1 0.31529008 0.40797144 0.51901177 1\n C C4 1 0.31246260 0.63711472 0.50100920 1\n C C5 1 -0.54647257 0.26529513 0.39305549 1\n C C6 1 0.98739178 0.95781555 0.43932533 1\n C C7 1 -0.80434239 0.64184773 0.70382295 1\n C C8 1 0.58543164 0.00565824 0.00527848 1\n C C9 1 0.50104997 0.06172723 0.50083256 1\n C C10 1 1.00057690 0.37542159 0.13338719 1\n C C11 1 0.68557023 0.51724234 0.74605225 1\n C C12 1 -0.25160015 0.35540645 0.62644175 1\n C C13 1 0.12153651 0.81289387 0.82294332 1\n C C14 1 1.08747763 0.10159599 0.93442858 1\n C C15 1 0.84065161 0.75484848 0.21486909 1\n C C16 1 0.42264313 0.69114642 0.11738618 1\n C C17 1 0.56968311 0.81025120 0.93889447 1\n C C18 1 0.49316088 0.48944846 1.08865538 1\n C C19 1 0.63443102 0.97209373 0.18590794 1\n C C20 1 1.11474228 0.04430895 0.76218417 1\n C C21 1 0.00136382 0.25299874 0.28948391 1\n C C22 1 0.62740006 0.12224326 0.67040976 1\n C C23 1 1.07453348 0.30416927 -0.04174221 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43099000\n_cell_length_b 3.97691000\n_cell_length_c 8.41047000\n_cell_angle_alpha 134.73249000\n_cell_angle_beta 89.99991000\n_cell_angle_gamma 90.03629000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.76333827\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86850291 0.68708171 0.62229724 1\n C C1 1 0.36851555 0.69063315 0.54010645 1\n C C2 1 0.36856515 0.68665435 0.87196849 1\n C C3 1 0.36836012 0.68884001 0.37286935 1\n C C4 1 0.36842771 -0.30977871 1.03979375 1\n C C5 1 0.86836561 0.69115011 0.29029015 1\n C C6 1 -0.13156472 0.68850261 1.12256634 1\n C C7 1 0.86856687 0.68957498 0.78957203 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48125000\n_cell_length_b 5.23310000\n_cell_length_c 5.23859000\n_cell_angle_alpha 97.80265000\n_cell_angle_beta 109.71614000\n_cell_angle_gamma 109.68620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.85473210\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79585586 0.39138849 1.05479474 1\n C C1 1 0.40756386 0.63538393 0.77516964 1\n C C2 1 0.50951107 0.08078199 0.03654059 1\n C C3 1 0.79708424 0.10012154 0.34704565 1\n C C4 1 0.48166506 0.28162781 0.45229482 1\n C C5 1 0.40928518 0.82126167 0.59215999 1\n C C6 1 0.77311801 0.81402143 0.42374165 1\n C C7 1 0.48177627 0.49782014 1.23664508 1\n C C8 1 0.79259286 -0.05631463 0.90011256 1\n C C9 1 0.77122579 0.46664512 0.76717638 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26614000\n_cell_length_b 3.42810000\n_cell_length_c 4.73993000\n_cell_angle_alpha 114.68500000\n_cell_angle_beta 89.99069000\n_cell_angle_gamma 90.05217000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.22154623\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30654489 0.49621272 0.22633632 1\n C C1 1 0.08729912 1.15931565 0.69513766 1\n C C2 1 0.80623403 0.96478050 0.86121042 1\n C C3 1 0.23746146 0.96450384 0.36108148 1\n C C4 1 0.45925056 0.30147657 0.89243227 1\n C C5 1 0.95906260 0.15938234 0.19499269 1\n C C6 1 0.58740500 0.30173579 0.39234203 1\n C C7 1 0.73788254 0.49635798 0.72643043 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44342000\n_cell_length_b 6.29840000\n_cell_length_c 8.19944000\n_cell_angle_alpha 74.90790000\n_cell_angle_beta 87.64291000\n_cell_angle_gamma 102.64350000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 118.23317216\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12439923 0.57653501 0.70883047 1\n C C1 1 0.72050476 0.13824829 0.45890734 1\n C C2 1 0.49195380 0.83950373 0.87468171 1\n C C3 1 -0.37321449 0.52151616 0.02751694 1\n C C4 1 0.01673875 0.78184327 0.55544780 1\n C C5 1 0.29633132 0.44029648 0.73154166 1\n C C6 1 0.60520197 0.74753862 0.06936432 1\n C C7 1 1.04482735 0.39137678 0.05925138 1\n C C8 1 1.30931073 0.04269695 0.13823665 1\n C C9 1 0.16998905 0.20564927 0.78027322 1\n C C10 1 0.99469761 0.61311757 0.33202865 1\n C C11 1 1.12658747 0.79567144 0.16149446 1\n C C12 1 0.59895386 0.08581256 0.80983680 1\n C C13 1 0.28982238 0.25703442 0.43478601 1\n C C14 1 0.88365776 0.15874156 0.11863194 1\n C C15 1 0.42410808 0.49254980 0.37187942 1\n C C16 1 0.90099013 0.70432833 0.85322302 1\n C C17 1 0.58792819 0.90161777 0.51864951 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44417000\n_cell_length_b 4.78386000\n_cell_length_c 6.91081000\n_cell_angle_alpha 123.96606000\n_cell_angle_beta 100.17815000\n_cell_angle_gamma 90.00947000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.47675083\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19731755 0.75669082 0.54148756 1\n C C1 1 0.30373200 0.41656941 0.76395020 1\n C C2 1 0.09273904 0.71942504 0.33337892 1\n C C3 1 0.75921031 0.77480882 0.66626673 1\n C C4 1 0.50201582 0.97322522 0.16264220 1\n C C5 1 0.52936598 0.70064875 0.20829760 1\n C C6 1 0.77980577 0.50214914 0.71169412 1\n C C7 1 0.39299378 0.33439221 0.94535856 1\n C C8 1 0.97421493 1.05834093 0.11003416 1\n C C9 1 0.88467892 0.14073575 0.92889895 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.94997000\n_cell_length_b 3.38052000\n_cell_length_c 4.81517000\n_cell_angle_alpha 80.67868000\n_cell_angle_beta 104.47462000\n_cell_angle_gamma 107.87336000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.99709201\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55512704 0.85685138 0.67901014 1\n C C1 1 0.46296958 1.29746926 0.15635807 1\n C C2 1 0.22979967 0.52921816 0.67915222 1\n C C3 1 0.78719031 0.62382562 0.15755959 1\n C C4 1 0.07509439 0.68679782 0.39164079 1\n C C5 1 0.16961072 0.24209797 -0.08822374 1\n C C6 1 0.40033330 0.01457009 0.39185844 1\n C C7 1 0.84447118 -0.08418670 0.91011029 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48858000\n_cell_length_b 4.30508000\n_cell_length_c 4.30372000\n_cell_angle_alpha 80.39897000\n_cell_angle_beta 90.00847000\n_cell_angle_gamma 73.21869000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.46914301\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91723847 0.53206118 0.08757814 1\n C C1 1 0.22883702 0.90718277 0.52488433 1\n C C2 1 0.47918388 0.40715006 0.27481617 1\n C C3 1 0.41720409 0.53210338 0.58757951 1\n C C4 1 0.66689161 0.03209389 0.33764630 1\n C C5 1 0.72887140 0.90714057 1.02488296 1\n C C6 1 -0.02082693 0.40715635 0.77481396 1\n C C7 1 1.16690242 1.03208759 0.83764851 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.16343000\n_cell_length_b 4.66864000\n_cell_length_c 4.67039000\n_cell_angle_alpha 103.72880000\n_cell_angle_beta 116.26751000\n_cell_angle_gamma 73.71408000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.85612747\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67494487 0.68409355 0.82913626 1\n C C1 1 0.67750684 0.44614415 0.27588576 1\n C C2 1 0.67601732 0.68863337 0.51749120 1\n C C3 1 0.67668263 -0.02622757 0.99020208 1\n C C4 1 0.67293529 0.00120461 0.51200078 1\n C C5 1 -0.32069564 0.45070421 -0.03564392 1\n C C6 1 0.67852362 0.13453466 0.28090494 1\n C C7 1 0.67575527 0.16138061 0.80289199 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50114000\n_cell_length_b 6.81314000\n_cell_length_c 6.66857000\n_cell_angle_alpha 58.65760000\n_cell_angle_beta 84.99504000\n_cell_angle_gamma 80.13537000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 95.61888286\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41091301 0.92203393 0.20721491 1\n C C1 1 0.92178705 0.87209127 0.10280380 1\n C C2 1 0.36577987 0.50865341 0.34899101 1\n C C3 1 1.22291493 0.37177001 0.76834297 1\n C C4 1 0.39290318 0.11537211 0.41087641 1\n C C5 1 -0.08582294 1.00487991 0.83968040 1\n C C6 1 0.90357973 0.61117574 0.18568093 1\n C C7 1 0.16206687 0.58635534 0.52989473 1\n C C8 1 0.40070264 0.26229115 0.48766340 1\n C C9 1 0.48645099 0.86898492 0.60390851 1\n C C10 1 -0.02248241 0.82352899 0.75828537 1\n C C11 1 0.30795989 0.15267569 0.19007677 1\n C C12 1 0.36704464 0.16110695 0.74353822 1\n C C13 1 0.18081832 0.37356144 -0.02240865 1\n C C14 1 0.56992103 0.73803311 0.47733261 1\n C C15 1 0.01783848 0.58578723 -0.02342299 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43225000\n_cell_length_b 3.10661000\n_cell_length_c 6.40375000\n_cell_angle_alpha 98.34620000\n_cell_angle_beta 100.74018000\n_cell_angle_gamma 110.28281000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.42125521\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88992724 0.15872495 0.09636148 1\n C C1 1 0.22336180 0.15798885 0.76281991 1\n C C2 1 0.66722987 1.15881365 0.65123546 1\n C C3 1 0.00056308 0.15954358 0.31838653 1\n C C4 1 0.55528039 0.15646281 0.42906268 1\n C C5 1 0.33443851 0.16055757 0.98504504 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.59274000\n_cell_length_b 5.50324000\n_cell_length_c 3.64735000\n_cell_angle_alpha 70.61201000\n_cell_angle_beta 90.09803000\n_cell_angle_gamma 118.57802000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.32777534\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58377808 0.57708430 0.10532665 1\n C C1 1 0.08474177 0.07844321 0.54652460 1\n C C2 1 0.39313583 0.38649910 0.89321286 1\n C C3 1 0.08494628 0.07854626 0.16182782 1\n C C4 1 0.39309687 0.38650868 0.50860059 1\n C C5 1 0.89422457 0.88775725 0.94985417 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42712000\n_cell_length_b 6.29244000\n_cell_length_c 4.22893000\n_cell_angle_alpha 129.27813000\n_cell_angle_beta 89.97042000\n_cell_angle_gamma 112.71405000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34302410\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83310888 0.95848443 0.19286383 1\n C C1 1 -0.10010670 0.52628195 0.32927127 1\n C C2 1 0.31169808 0.93667473 0.32819075 1\n C C3 1 0.25109889 0.87635615 0.61807562 1\n C C4 1 0.89365608 0.01913660 0.90364823 1\n C C5 1 0.24347706 0.36916875 0.19348520 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49586000\n_cell_length_b 4.26657000\n_cell_length_c 5.15268000\n_cell_angle_alpha 61.11141000\n_cell_angle_beta 90.03836000\n_cell_angle_gamma 90.00564000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.04170830\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44299515 -0.07707319 0.74150558 1\n C C1 1 -0.05694959 0.43538163 0.79511279 1\n C C2 1 0.44323531 0.51453722 -0.07869718 1\n C C3 1 0.94311252 0.42691663 0.37626125 1\n C C4 1 0.44283775 0.93962685 0.42901066 1\n C C5 1 -0.05711258 0.72860325 0.45582935 1\n C C6 1 0.44285948 0.34782213 0.25025392 1\n C C7 1 0.94291055 0.13377757 0.71518812 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.50697000\n_cell_length_b 3.63601000\n_cell_length_c 4.82283000\n_cell_angle_alpha 112.08926000\n_cell_angle_beta 97.45020000\n_cell_angle_gamma 122.05717000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.84493903\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44335851 0.19012561 0.11392565 1\n C C1 1 0.44559883 0.84656950 0.42333488 1\n C C2 1 0.44705367 0.25154058 0.61391968 1\n C C3 1 0.44438878 0.80851468 0.11490306 1\n C C4 1 0.44293394 0.40354361 0.92431826 1\n C C5 1 0.44662909 0.46495858 0.42431229 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43191000\n_cell_length_b 6.41950000\n_cell_length_c 7.95403000\n_cell_angle_alpha 46.66612000\n_cell_angle_beta 73.50491000\n_cell_angle_gamma 78.97664000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.60274331\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02828585 0.48245744 0.27904307 1\n C C1 1 -0.12934016 0.76340883 0.78203483 1\n C C2 1 0.20323856 0.09633064 0.78280456 1\n C C3 1 0.47159728 0.59272091 0.28056017 1\n C C4 1 0.13849313 0.25995876 0.27971059 1\n C C5 1 0.31407637 0.87377021 0.78349667 1\n C C6 1 0.53682543 0.42986584 0.78244361 1\n C C7 1 0.69489241 0.14945677 0.27861074 1\n C C8 1 0.36106704 0.81551710 0.27956726 1\n C C9 1 0.64716184 0.20700856 0.78351507 1\n C C10 1 0.80512254 0.92637438 0.27994249 1\n C C11 1 -0.01914517 0.54064125 0.78300274 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48132000\n_cell_length_b 3.53568000\n_cell_length_c 6.29385000\n_cell_angle_alpha 86.63674000\n_cell_angle_beta 89.88166000\n_cell_angle_gamma 69.87825000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.74771154\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07803634 0.99316782 0.53622752 1\n C C1 1 0.89852655 0.34765482 0.67825842 1\n C C2 1 0.06443172 1.02175413 0.28464078 1\n C C3 1 0.69268409 -0.23744249 0.28309264 1\n C C4 1 0.70525396 0.73516989 0.53377117 1\n C C5 1 0.37159919 0.40690952 1.01340451 1\n C C6 1 0.87001766 0.40989713 0.14190364 1\n C C7 1 0.39559119 0.35283289 0.80720583 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35056000\n_cell_length_b 3.77567000\n_cell_length_c 6.94876000\n_cell_angle_alpha 70.09048000\n_cell_angle_beta 66.61125000\n_cell_angle_gamma 72.98993000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.58891729\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58729320 0.08565979 0.14072991 1\n C C1 1 0.28577786 0.14730561 0.35233106 1\n C C2 1 0.35215136 0.19035576 -0.03505147 1\n C C3 1 0.88519730 0.40334035 0.04109580 1\n C C4 1 0.05423246 0.96269753 0.75270740 1\n C C5 1 0.66898529 0.57077692 0.54247708 1\n C C6 1 0.72680298 0.35080661 0.75488553 1\n C C7 1 0.35444184 0.90130426 0.54095664 1\n C C8 1 -0.02903059 0.47773991 0.35090582 1\n C C9 1 -0.08622851 0.69755184 0.13863605 1\n C C10 1 0.75779020 0.64476331 0.85183575 1\n C C11 1 0.28944062 0.85781051 -0.07151897 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52452000\n_cell_length_b 4.75520000\n_cell_length_c 4.36725000\n_cell_angle_alpha 102.79041000\n_cell_angle_beta 94.11749000\n_cell_angle_gamma 112.48582000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.52153593\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02148662 -0.00867294 0.30877811 1\n C C1 1 0.59447513 0.60577442 0.60170763 1\n C C2 1 0.69315366 0.62574033 0.24196702 1\n C C3 1 0.06929127 0.46483081 1.06235594 1\n C C4 1 0.71354115 0.93653427 0.75291350 1\n C C5 1 0.97589451 0.44985420 0.69428604 1\n C C6 1 0.65115205 0.10082480 0.51567517 1\n C C7 1 -0.04971189 0.12080451 0.04049819 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43096000\n_cell_length_b 3.96813000\n_cell_length_c 6.25945000\n_cell_angle_alpha 71.33212000\n_cell_angle_beta 90.05197000\n_cell_angle_gamma 89.91588000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.20416973\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23574275 0.02526224 0.33355017 1\n C C1 1 0.23574149 0.52614320 0.83305197 1\n C C2 1 0.73591173 0.27540514 0.58347760 1\n C C3 1 0.73591061 0.77567027 0.08329401 1\n C C4 1 0.73576445 0.43956744 0.75098798 1\n C C5 1 0.23595679 0.68894781 0.00125519 1\n C C6 1 1.23595011 0.18813929 0.50171367 1\n C C7 1 0.73574936 0.93894071 0.25127210 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47664000\n_cell_length_b 4.84846000\n_cell_length_c 5.39591000\n_cell_angle_alpha 95.81992000\n_cell_angle_beta 117.28947000\n_cell_angle_gamma 120.25385000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.83473087\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80083531 0.18211890 0.15445413 1\n C C1 1 0.66163149 0.05608225 0.64282531 1\n C C2 1 0.03333307 0.75962521 0.31000788 1\n C C3 1 0.03271489 0.42572604 0.64312368 1\n C C4 1 0.26414299 1.00330943 0.79790640 1\n C C5 1 0.66227483 0.38995406 0.30968151 1\n C C6 1 -0.10589154 0.63350789 0.79826599 1\n C C7 1 0.43063205 0.81225842 0.15484810 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43056000\n_cell_length_b 4.00610000\n_cell_length_c 6.76077000\n_cell_angle_alpha 105.98936000\n_cell_angle_beta 66.98312000\n_cell_angle_gamma 87.20793000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.32789175\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79213161 0.60745004 0.78818969 1\n C C1 1 0.46066718 0.27200597 0.12054807 1\n C C2 1 0.54209081 0.85767563 0.53827300 1\n C C3 1 0.71066329 0.02200995 0.37059640 1\n C C4 1 0.96075224 0.77173203 0.62043725 1\n C C5 1 0.04211392 0.35771146 1.03828598 1\n C C6 1 0.21077123 0.52171735 0.87041915 1\n C C7 1 0.29196741 0.10790836 0.28840395 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.83900000\n_cell_length_b 4.66887000\n_cell_length_c 6.12153000\n_cell_angle_alpha 126.80664000\n_cell_angle_beta 110.67469000\n_cell_angle_gamma 87.86103000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.11587535\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.15162802 0.41719579 0.04255461 1\n C C1 1 1.17685527 0.92052285 1.06796111 1\n C C2 1 0.85876899 0.28844512 0.75238361 1\n C C3 1 0.86332921 0.60512207 0.75777959 1\n C C4 1 0.31180329 0.28894373 0.20436738 1\n C C5 1 0.34066010 0.79214260 0.22956034 1\n C C6 1 -0.37406907 0.60450750 0.51460113 1\n C C7 1 0.63103170 0.92123165 0.51987734 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49036000\n_cell_length_b 4.35772000\n_cell_length_c 6.73143000\n_cell_angle_alpha 90.00021000\n_cell_angle_beta 90.00582000\n_cell_angle_gamma 73.42102000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.01449653\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17445887 0.77134046 0.45158928 1\n C C1 1 0.38135537 0.35343487 0.76606646 1\n C C2 1 0.38145207 0.35333751 0.13626965 1\n C C3 1 0.67397044 0.77135879 0.95162232 1\n C C4 1 0.78074804 0.55922850 0.45155715 1\n C C5 1 0.06776189 0.97781321 0.26608760 1\n C C6 1 0.56834312 0.97769832 0.76610644 1\n C C7 1 0.28032027 0.55927303 0.95160080 1\n C C8 1 0.06833237 -0.02230985 0.63633599 1\n C C9 1 0.88144469 0.35351966 0.26598535 1\n C C10 1 0.88142184 0.35328486 0.63630751 1\n C C11 1 0.56766663 -0.02222787 1.13632974 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48393000\n_cell_length_b 3.82422000\n_cell_length_c 5.22855000\n_cell_angle_alpha 98.81919000\n_cell_angle_beta 89.93683000\n_cell_angle_gamma 71.04370000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.34864174\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80764860 1.14308255 0.97700250 1\n C C1 1 0.08355206 0.59095870 0.47723667 1\n C C2 1 0.59535788 0.57120340 1.03303915 1\n C C3 1 0.84568481 0.06902649 0.25588999 1\n C C4 1 0.29737767 0.16348463 0.42124091 1\n C C5 1 0.47144468 0.81425056 0.58339494 1\n C C6 1 0.04707173 0.66586778 0.19848740 1\n C C7 1 0.41944337 0.92078969 0.87050213 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35786000\n_cell_length_b 3.45680000\n_cell_length_c 5.37258000\n_cell_angle_alpha 98.14978000\n_cell_angle_beta 81.11152000\n_cell_angle_gamma 89.26250000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.95224235\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10001337 0.92551633 -0.09543295 1\n C C1 1 1.01123313 -0.01903251 0.20274558 1\n C C2 1 0.13611362 0.35585649 0.34514055 1\n C C3 1 0.76131936 0.54595983 0.51116363 1\n C C4 1 0.42552422 0.24205949 0.51426336 1\n C C5 1 0.43006800 0.60084173 0.92488264 1\n C C6 1 0.32997396 0.66988997 0.20870413 1\n C C7 1 0.63025426 0.86334552 0.36665409 1\n C C8 1 0.18963870 0.28795397 0.78843981 1\n C C9 1 0.84399508 0.60699019 0.78494025 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47330000\n_cell_length_b 3.28879000\n_cell_length_c 6.08845000\n_cell_angle_alpha 89.99764000\n_cell_angle_beta 90.00002000\n_cell_angle_gamma 67.85150000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.87003489\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94545788 0.51937501 0.01818251 1\n C C1 1 0.26620231 0.88055352 0.33813217 1\n C C2 1 0.44569532 0.51950696 0.51817867 1\n C C3 1 0.76619347 -0.11951066 0.19863974 1\n C C4 1 0.58458318 0.24061971 1.01819696 1\n C C5 1 0.26591618 0.88053615 0.69864339 1\n C C6 1 0.76585974 0.88045691 0.83813745 1\n C C7 1 0.08483751 0.24075299 0.51820130 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44394000\n_cell_length_b 3.36970000\n_cell_length_c 9.87892000\n_cell_angle_alpha 80.65893000\n_cell_angle_beta 111.79179000\n_cell_angle_gamma 111.22465000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.38168997\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10398079 0.16721521 1.02504694 1\n C C1 1 0.25073978 -0.09095931 0.54192290 1\n C C2 1 0.37762415 0.73033393 0.68588220 1\n C C3 1 0.79514507 0.32647750 0.09981965 1\n C C4 1 -0.00700895 0.25228010 0.25702619 1\n C C5 1 -0.30429028 0.00616021 0.47281953 1\n C C6 1 0.82777432 0.72579313 -0.01115613 1\n C C7 1 0.94318153 0.64931450 0.75673924 1\n C C8 1 0.56211401 0.17798153 0.32802412 1\n C C9 1 0.13551149 0.56740269 0.91343545 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43178000\n_cell_length_b 6.86579000\n_cell_length_c 4.60762000\n_cell_angle_alpha 93.73989000\n_cell_angle_beta 104.91196000\n_cell_angle_gamma 100.85877000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.48146348\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72292685 0.85991114 0.35943433 1\n C C1 1 0.72257567 0.19475412 0.02429287 1\n C C2 1 0.52614006 1.06111397 0.75895870 1\n C C3 1 0.92397032 0.66012110 -0.04082623 1\n C C4 1 0.12492514 0.46083080 0.55890118 1\n C C5 1 -0.07382519 -0.00722449 0.62643244 1\n C C6 1 0.52569346 0.39422532 0.42545010 1\n C C7 1 0.12363261 0.79247349 0.22652422 1\n C C8 1 0.32397834 0.59350722 0.82531516 1\n C C9 1 0.32227324 0.26234963 0.15715953 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48168000\n_cell_length_b 3.68752000\n_cell_length_c 4.21810000\n_cell_angle_alpha 104.99347000\n_cell_angle_beta 89.97966000\n_cell_angle_gamma 70.35599000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.95444444\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94187541 0.79704852 0.34218578 1\n C C1 1 1.13852984 0.40005054 0.41811442 1\n C C2 1 0.26497254 0.15284893 0.04370256 1\n C C3 1 0.46273749 0.75595972 0.11982246 1\n C C4 1 0.68660567 0.30985500 0.91324266 1\n C C5 1 0.71692355 0.24320249 0.54863091 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46609000\n_cell_length_b 8.36935000\n_cell_length_c 5.73434000\n_cell_angle_alpha 50.26175000\n_cell_angle_beta 77.51083000\n_cell_angle_gamma 72.80480000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.88343968\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90479072 0.41337449 0.23072381 1\n C C1 1 0.42828771 1.01016501 1.00161492 1\n C C2 1 0.36144560 0.22907503 0.69508977 1\n C C3 1 0.87825914 0.72354309 0.66710607 1\n C C4 1 0.65610978 0.16596560 0.22669792 1\n C C5 1 1.02003994 0.89098369 1.05681965 1\n C C6 1 0.13994523 0.67964919 0.23050530 1\n C C7 1 0.71813979 0.55307090 0.32698524 1\n C C8 1 0.33054381 0.82711445 0.55542969 1\n C C9 1 0.25928420 1.04362813 0.26727394 1\n C C10 1 0.47010007 0.27321256 0.38103097 1\n C C11 1 0.60271288 0.38258901 0.90284990 1\n C C12 1 0.75066946 0.35290834 0.66749618 1\n C C13 1 -0.00929173 0.49131231 0.90664665 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45937000\n_cell_length_b 6.14657000\n_cell_length_c 10.86192000\n_cell_angle_alpha 57.62007000\n_cell_angle_beta 76.88164000\n_cell_angle_gamma 78.40093000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 134.41496330\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.27153205 0.17964800 0.78487987 1\n C C1 1 0.15266787 0.08682666 0.41194561 1\n C C2 1 0.15228547 0.81477638 0.54575745 1\n C C3 1 0.67207051 0.45149391 0.21403698 1\n C C4 1 0.87752518 0.98259114 0.24076976 1\n C C5 1 1.44108011 0.40917645 0.46580202 1\n C C6 1 0.87238794 0.49257744 0.49189342 1\n C C7 1 0.37795825 0.44391596 0.01114636 1\n C C8 1 1.04989785 0.52468607 0.79302320 1\n C C9 1 0.57874056 0.72197641 0.17284255 1\n C C10 1 -0.36370466 0.45017303 0.74343345 1\n C C11 1 0.00585766 -0.17383486 0.68845691 1\n C C12 1 1.01840248 0.82674021 0.18098136 1\n C C13 1 0.93623094 0.45659311 -0.05379906 1\n C C14 1 0.43111008 -0.08070273 0.71670038 1\n C C15 1 0.71480287 0.64991058 0.56613916 1\n C C16 1 0.25961051 0.37711166 0.16423172 1\n C C17 1 0.29010903 0.07561881 0.77611058 1\n C C18 1 0.30217728 0.07530786 0.26923396 1\n C C19 1 0.59239861 0.25179059 0.39146114 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51339000\n_cell_length_b 4.11259000\n_cell_length_c 4.18886000\n_cell_angle_alpha 119.42179000\n_cell_angle_beta 107.47637000\n_cell_angle_gamma 90.02368000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.39829664\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76827839 0.49911216 0.86539830 1\n C C1 1 0.76821168 0.86850483 0.86531396 1\n C C2 1 0.57105045 0.15474205 0.47667379 1\n C C3 1 0.37929077 0.11116401 0.08860051 1\n C C4 1 0.37917000 0.47953914 1.08844345 1\n C C5 1 0.57116441 0.82412120 0.47660938 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48986000\n_cell_length_b 3.93979000\n_cell_length_c 5.94824000\n_cell_angle_alpha 97.65260000\n_cell_angle_beta 102.09116000\n_cell_angle_gamma 90.00996000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.52309352\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82739397 0.82348731 0.07151261 1\n C C1 1 0.44335195 0.49117776 0.29941221 1\n C C2 1 1.28194582 -0.03249838 -0.01978885 1\n C C3 1 0.54198985 0.26801796 0.50132420 1\n C C4 1 0.63940863 0.57062510 0.70102703 1\n C C5 1 0.14549983 0.80971450 0.71303896 1\n C C6 1 0.30699354 0.33346292 0.03223293 1\n C C7 1 0.04664969 1.03295704 0.51128717 1\n C C8 1 0.76210717 0.47780055 0.94155537 1\n C C9 1 0.94944215 0.73034655 0.31173237 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43590000\n_cell_length_b 4.17738000\n_cell_length_c 3.43576000\n_cell_angle_alpha 79.77180000\n_cell_angle_beta 86.81962000\n_cell_angle_gamma 100.18215000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.57319273\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41028370 0.12498114 0.29282169 1\n C C1 1 0.92992167 0.12488262 0.81270864 1\n C C2 1 0.62633047 0.89272790 0.11852571 1\n C C3 1 0.63845335 0.31466863 0.58419388 1\n C C4 1 0.39804111 0.70386338 0.82586660 1\n C C5 1 0.73564914 0.69185577 0.48826750 1\n C C6 1 0.30119108 0.32566214 0.92138852 1\n C C7 1 0.10529198 0.89284263 0.59711276 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48705000\n_cell_length_b 4.69685000\n_cell_length_c 4.05991000\n_cell_angle_alpha 73.97991000\n_cell_angle_beta 89.99913000\n_cell_angle_gamma 89.98461000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.58327658\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62296053 -0.05792028 0.22699641 1\n C C1 1 0.62325168 0.47592844 0.19491008 1\n C C2 1 0.62310267 1.16771584 0.42754919 1\n C C3 1 0.12309644 0.17284393 0.65331249 1\n C C4 1 1.12317616 0.59062079 0.99355982 1\n C C5 1 1.12296781 0.93710360 1.00174190 1\n C C6 1 0.62324994 0.63453520 0.46057233 1\n C C7 1 0.12332746 0.51960157 0.66175758 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.91168000\n_cell_length_b 3.41183000\n_cell_length_c 3.41568000\n_cell_angle_alpha 90.68651000\n_cell_angle_beta 108.50871000\n_cell_angle_gamma 111.40078000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.00381892\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94321134 0.32674375 0.91270596 1\n C C1 1 -0.05684727 -0.00240840 0.58363447 1\n C C2 1 0.29732882 0.20522431 0.73035594 1\n C C3 1 0.79740718 0.53437593 0.55943644 1\n C C4 1 0.29738743 0.53437647 1.05942744 1\n C C5 1 0.44313298 0.99759214 0.08362546 1\n C C6 1 0.79731743 0.20518496 0.23036330 1\n C C7 1 0.44322273 0.32678311 0.41269860 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.77704000\n_cell_length_b 4.75979000\n_cell_length_c 4.75940000\n_cell_angle_alpha 48.43789000\n_cell_angle_beta 66.90290000\n_cell_angle_gamma 66.89811000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.79523761\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74904793 0.59879331 1.00028388 1\n C C1 1 0.35979766 0.61067126 1.01239805 1\n C C2 1 0.78227858 0.06495000 0.02655235 1\n C C3 1 -0.03669095 0.19148027 0.16135591 1\n C C4 1 0.72865348 0.66543686 0.28880511 1\n C C5 1 0.32586268 0.58478558 0.54616011 1\n C C6 1 0.14551290 0.44953031 0.41967640 1\n C C7 1 0.11114248 0.03011438 0.72499736 1\n C C8 1 -0.00247931 0.88644455 0.58102826 1\n C C9 1 0.37961546 0.32232987 0.94569317 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32429000\n_cell_length_b 3.32080000\n_cell_length_c 7.03568000\n_cell_angle_alpha 64.46158000\n_cell_angle_beta 64.44737000\n_cell_angle_gamma 78.95720000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.22436135\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74117647 0.62444812 0.52096156 1\n C C1 1 0.75734847 0.67932814 0.15847170 1\n C C2 1 0.08407957 0.65940598 0.95258965 1\n C C3 1 0.37864528 0.98722824 0.52090250 1\n C C4 1 0.75240048 0.36080300 0.38432515 1\n C C5 1 0.41295847 0.33035398 0.95263568 1\n C C6 1 0.73742007 0.30747149 0.74676673 1\n C C7 1 1.06157241 0.98375265 0.74668583 1\n C C8 1 0.43326243 1.00330078 0.15847059 1\n C C9 1 0.11489394 0.99806282 0.38437811 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47964000\n_cell_length_b 3.68624000\n_cell_length_c 4.89628000\n_cell_angle_alpha 93.18083000\n_cell_angle_beta 120.36578000\n_cell_angle_gamma 109.59984000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.95531349\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49949586 0.91820455 0.92993219 1\n C C1 1 0.62164274 0.31487434 0.85347872 1\n C C2 1 0.67184740 0.40578918 0.35835058 1\n C C3 1 0.24158177 -0.04059680 0.15140804 1\n C C4 1 1.11947481 0.56241855 0.22774549 1\n C C5 1 0.06972081 0.47201317 0.72301389 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44896000\n_cell_length_b 5.04888000\n_cell_length_c 5.01631000\n_cell_angle_alpha 91.07829000\n_cell_angle_beta 87.98969000\n_cell_angle_gamma 69.06814000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.86264508\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50928345 0.18123901 0.22757530 1\n C C1 1 0.37660947 0.35190741 0.77337903 1\n C C2 1 0.25469771 0.51651940 0.23478362 1\n C C3 1 1.06474893 0.11321792 0.39655105 1\n C C4 1 0.26550209 0.60224028 -0.03955600 1\n C C5 1 0.87470536 0.35547812 0.59884952 1\n C C6 1 0.66461887 0.59472176 0.41225031 1\n C C7 1 0.31187078 0.86002655 0.55221387 1\n C C8 1 0.56416636 0.07479230 0.93620828 1\n C C9 1 0.19281148 0.89143694 -0.14758478 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.93122000\n_cell_length_b 4.17502000\n_cell_length_c 4.85224000\n_cell_angle_alpha 71.39628000\n_cell_angle_beta 73.84123000\n_cell_angle_gamma 84.95344000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.49624158\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54903012 0.82284002 0.87484999 1\n C C1 1 0.43475200 0.71195020 0.67188142 1\n C C2 1 0.43612035 0.71195888 0.18939789 1\n C C3 1 -0.19518877 1.07777882 0.74683674 1\n C C4 1 0.95208410 0.22621717 -0.08578440 1\n C C5 1 0.83976191 0.11432510 0.22919283 1\n C C6 1 0.58472610 0.85883034 0.35708760 1\n C C7 1 0.95327457 0.22567609 0.43241744 1\n C C8 1 1.19372481 0.46939183 0.70145937 1\n C C9 1 0.19249992 0.47039104 0.40153672 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.45227000\n_cell_length_b 3.16132000\n_cell_length_c 5.11348000\n_cell_angle_alpha 85.21820000\n_cell_angle_beta 122.21580000\n_cell_angle_gamma 106.36087000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.22812603\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81762678 0.03582360 0.07457145 1\n C C1 1 0.68725822 0.19290570 0.78246430 1\n C C2 1 0.00363034 0.75327851 0.54639660 1\n C C3 1 0.00601442 0.50471191 0.78774653 1\n C C4 1 0.68990059 0.74745939 0.23615638 1\n C C5 1 0.32243060 0.06320470 0.55174358 1\n C C6 1 0.31970110 0.51136788 0.09846477 1\n C C7 1 0.19196184 0.22405621 0.26050719 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47644000\n_cell_length_b 4.25690000\n_cell_length_c 5.94393000\n_cell_angle_alpha 69.00595000\n_cell_angle_beta 77.96098000\n_cell_angle_gamma 89.99892000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.02257559\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65889837 0.11312547 0.45976194 1\n C C1 1 0.62482463 0.73537612 0.53046825 1\n C C2 1 0.11873784 0.24650225 0.54086301 1\n C C3 1 0.18129778 0.63485713 0.41881469 1\n C C4 1 0.98878135 0.25353600 0.79685205 1\n C C5 1 -0.13699967 -0.00919899 1.05309641 1\n C C6 1 1.32204864 0.77639171 0.13403692 1\n C C7 1 0.80154929 0.25719075 0.17484204 1\n C C8 1 0.35857108 0.46986006 0.06274228 1\n C C9 1 0.48909129 0.46897460 0.79664761 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46325000\n_cell_length_b 3.80163000\n_cell_length_c 8.26632000\n_cell_angle_alpha 104.67400000\n_cell_angle_beta 107.34199000\n_cell_angle_gamma 108.91478000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.43777431\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.19764113 0.60145237 0.18508138 1\n C C1 1 0.84482048 0.29359163 -0.01357531 1\n C C2 1 0.33479170 0.42613857 0.91064224 1\n C C3 1 0.45640214 1.25551322 0.61917216 1\n C C4 1 0.68713846 0.26533785 0.34278208 1\n C C5 1 0.33532550 -0.04224165 0.14421225 1\n C C6 1 -0.16439426 0.64404641 0.30195617 1\n C C7 1 0.69758742 -0.08494544 0.02758351 1\n C C8 1 0.07126751 0.30452659 0.70984011 1\n C C9 1 0.19591123 0.13250186 0.41841052 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44723000\n_cell_length_b 4.19319000\n_cell_length_c 8.40670000\n_cell_angle_alpha 56.97148000\n_cell_angle_beta 72.99470000\n_cell_angle_gamma 89.96962000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.79235129\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23198781 0.56129572 0.17730125 1\n C C1 1 0.67248432 0.98782038 0.24190588 1\n C C2 1 0.09083096 0.58023716 0.82582613 1\n C C3 1 0.26248745 0.23761977 1.15206878 1\n C C4 1 0.84422724 0.13460820 0.57273736 1\n C C5 1 0.87811809 0.48379604 0.53871680 1\n C C6 1 0.49011534 0.45540491 0.92542724 1\n C C7 1 0.72418306 0.70783124 0.18593058 1\n C C8 1 0.31259955 0.91086080 0.60369078 1\n C C9 1 0.43273688 0.71885518 0.48447021 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47985000\n_cell_length_b 2.56416000\n_cell_length_c 5.73095000\n_cell_angle_alpha 90.40454000\n_cell_angle_beta 77.55898000\n_cell_angle_gamma 89.98867000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.58492358\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53930790 0.79283739 0.08343320 1\n C C1 1 0.19309569 0.29161857 0.77837496 1\n C C2 1 0.77067493 0.28872414 0.62329433 1\n C C3 1 0.42227324 0.78397233 0.31831728 1\n C C4 1 1.11200016 0.79396621 0.93911518 1\n C C5 1 0.85038678 0.78457626 0.46270186 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43082000\n_cell_length_b 3.94390000\n_cell_length_c 6.26554000\n_cell_angle_alpha 108.81786000\n_cell_angle_beta 89.93228000\n_cell_angle_gamma 89.91400000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.85635719\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67793936 0.75822098 0.54509328 1\n C C1 1 0.67786804 0.42185588 0.87727826 1\n C C2 1 0.67794898 0.25835794 0.04514840 1\n C C3 1 0.17787720 0.67190423 0.62728721 1\n C C4 1 0.67794224 0.92212211 0.37740830 1\n C C5 1 0.17797658 0.00854895 0.29526064 1\n C C6 1 0.17790142 0.17225294 0.12743560 1\n C C7 1 1.17790079 0.50812627 0.79508920 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43015000\n_cell_length_b 2.42999000\n_cell_length_c 8.78440000\n_cell_angle_alpha 105.13186000\n_cell_angle_beta 88.18134000\n_cell_angle_gamma 120.01831000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.05424119\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29692452 0.85496784 0.83401912 1\n C C1 1 0.30796804 0.02690843 0.50000516 1\n C C2 1 -0.03617184 0.18819432 0.83397511 1\n C C3 1 0.78649630 0.97876044 0.16688427 1\n C C4 1 0.45245468 0.31101141 0.16627281 1\n C C5 1 -0.02516420 0.36037616 0.49988982 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44141000\n_cell_length_b 4.18873000\n_cell_length_c 6.65428000\n_cell_angle_alpha 110.61265000\n_cell_angle_beta 100.46957000\n_cell_angle_gamma 90.01199000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.48013009\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76638756 0.70533466 0.37596381 1\n C C1 1 0.45705410 0.65741946 0.76265117 1\n C C2 1 0.44008896 -0.01860279 0.72437691 1\n C C3 1 0.10645021 0.35070022 0.05544723 1\n C C4 1 0.66031889 0.46120870 0.16243788 1\n C C5 1 -0.01630807 0.18431204 0.81397328 1\n C C6 1 1.31973798 0.81606295 0.48252296 1\n C C7 1 0.96288017 0.50640077 0.77300716 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43973000\n_cell_length_b 4.23036000\n_cell_length_c 7.75387000\n_cell_angle_alpha 122.73019000\n_cell_angle_beta 80.89849000\n_cell_angle_gamma 90.02755000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.12401880\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68749736 0.69445521 0.65525914 1\n C C1 1 0.19540592 0.15859433 0.62668556 1\n C C2 1 0.85823233 0.78127050 0.29177334 1\n C C3 1 0.19486656 0.52346209 0.64119340 1\n C C4 1 0.64728477 0.09854899 0.72048444 1\n C C5 1 0.96994743 0.92725269 1.04720894 1\n C C6 1 0.30536365 0.88645470 0.39616056 1\n C C7 1 0.47717144 0.07135433 1.03398052 1\n C C8 1 -0.03094394 0.59063390 1.06106073 1\n C C9 1 0.51688960 0.34478345 0.96791577 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48716000\n_cell_length_b 4.97296000\n_cell_length_c 5.55927000\n_cell_angle_alpha 77.08475000\n_cell_angle_beta 102.92123000\n_cell_angle_gamma 90.00715000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.23350661\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04911419 0.84905995 0.77995980 1\n C C1 1 0.71565695 0.51576544 0.11329602 1\n C C2 1 0.29885656 0.47413987 0.27971563 1\n C C3 1 0.96564307 0.14076659 0.61308422 1\n C C4 1 0.29865070 0.97410830 0.27979165 1\n C C5 1 0.63210794 0.30740281 -0.05354457 1\n C C6 1 0.38212182 0.68240166 0.44666723 1\n C C7 1 0.38238298 0.18244754 0.44666291 1\n C C8 1 0.96538192 0.64072072 0.61308854 1\n C C9 1 0.04890833 0.34902838 0.78003581 1\n C C10 1 0.63231656 0.80744111 0.94638407 1\n C C11 1 0.71544833 1.01572715 0.11336737 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50666000\n_cell_length_b 3.42067000\n_cell_length_c 6.83305000\n_cell_angle_alpha 89.85836000\n_cell_angle_beta 111.45552000\n_cell_angle_gamma 111.54431000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.12802092\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66421038 0.53278082 0.35470673 1\n C C1 1 0.66415660 0.86043458 0.19103083 1\n C C2 1 0.66368876 0.85996812 0.69105454 1\n C C3 1 0.37204231 0.06834125 0.79525102 1\n C C4 1 0.37223899 0.74082252 0.95906033 1\n C C5 1 0.66362325 0.53211856 -0.14522575 1\n C C6 1 0.37259500 1.06901238 0.29517638 1\n C C7 1 0.37268671 0.74130286 0.45902942 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48793000\n_cell_length_b 4.30481000\n_cell_length_c 4.97329000\n_cell_angle_alpha 125.27434000\n_cell_angle_beta 90.00838000\n_cell_angle_gamma 89.99296000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.48474756\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00157357 0.50412422 0.17333518 1\n C C1 1 0.00161429 0.75413634 0.04832004 1\n C C2 1 1.00157357 0.50412422 0.67333518 1\n C C3 1 0.50160172 0.25414957 0.54818090 1\n C C4 1 0.50156100 0.00413746 0.67319604 1\n C C5 1 0.00161429 0.75413634 0.54832004 1\n C C6 1 0.50160172 0.25414957 0.04818090 1\n C C7 1 0.50156100 1.00413746 0.17319604 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27357000\n_cell_length_b 3.26945000\n_cell_length_c 4.23743000\n_cell_angle_alpha 95.19180000\n_cell_angle_beta 123.98725000\n_cell_angle_gamma 99.14742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22406297\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28032118 0.54650779 0.93317984 1\n C C1 1 0.71573875 0.81537778 0.31470844 1\n C C2 1 0.16571362 0.60188229 0.55158011 1\n C C3 1 0.07647138 0.17578352 0.31442984 1\n C C4 1 0.96277833 0.23007801 -0.06700237 1\n C C5 1 0.52682424 0.96372820 0.55148134 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47381000\n_cell_length_b 4.11779000\n_cell_length_c 4.28196000\n_cell_angle_alpha 89.99505000\n_cell_angle_beta 90.00058000\n_cell_angle_gamma 89.99625000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61874228\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34392777 0.72464420 0.68756980 1\n C C1 1 0.84443236 0.35025391 0.18751841 1\n C C2 1 -0.15561235 0.22463182 0.52083259 1\n C C3 1 0.34442225 0.35024050 0.68752372 1\n C C4 1 0.34418749 0.85026194 0.02086978 1\n C C5 1 -0.15610616 0.85023495 0.52085773 1\n C C6 1 0.84416693 0.72464310 0.18756332 1\n C C7 1 0.34444991 0.22464278 0.02084074 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48164000\n_cell_length_b 3.68853000\n_cell_length_c 4.21645000\n_cell_angle_alpha 75.13025000\n_cell_angle_beta 89.94984000\n_cell_angle_gamma 70.37114000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98076379\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58739689 0.61847974 0.24013561 1\n C C1 1 0.78611296 0.22042111 0.16479481 1\n C C2 1 0.32775711 0.13360636 0.66888116 1\n C C3 1 0.90624190 0.97630903 0.53823671 1\n C C4 1 0.10725026 0.57866054 0.46272190 1\n C C5 1 0.36436368 1.06399433 1.03382562 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45525000\n_cell_length_b 6.42712000\n_cell_length_c 5.55382000\n_cell_angle_alpha 109.89496000\n_cell_angle_beta 89.95103000\n_cell_angle_gamma 101.03651000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.68915475\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38303929 0.46690319 0.89897250 1\n C C1 1 0.07524022 0.85158307 1.09029106 1\n C C2 1 1.37789561 0.45695925 0.63107280 1\n C C3 1 0.57913900 0.86181651 0.67020049 1\n C C4 1 0.80098231 0.30314881 0.26810938 1\n C C5 1 0.15433326 1.01502586 0.37250130 1\n C C6 1 1.27663672 0.25301064 0.39799256 1\n C C7 1 0.46282248 0.62625128 0.49362195 1\n C C8 1 -0.05318259 0.59219104 0.05742629 1\n C C9 1 0.25422986 0.20891453 0.87203821 1\n C C10 1 -0.39244660 0.91427512 0.96231723 1\n C C11 1 0.14090380 -0.01285732 0.62467519 1\n C C12 1 0.73166067 0.16550039 1.00380227 1\n C C13 1 0.92849698 0.55553451 0.31817886 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31657000\n_cell_length_b 3.31846000\n_cell_length_c 4.88233000\n_cell_angle_alpha 107.18231000\n_cell_angle_beta 72.85840000\n_cell_angle_gamma 82.66724000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.67998906\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75110694 -0.04216355 0.77695871 1\n C C1 1 0.46283121 0.79113935 0.61053155 1\n C C2 1 0.45188946 0.25776149 0.09397931 1\n C C3 1 0.63984259 0.61504691 0.26029258 1\n C C4 1 0.28552980 0.96894469 0.25986412 1\n C C5 1 1.09388940 0.61415821 1.09388140 1\n C C6 1 0.10813038 0.59930213 0.77660495 1\n C C7 1 0.10855391 0.14540036 0.61045529 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48131000\n_cell_length_b 3.68752000\n_cell_length_c 4.89795000\n_cell_angle_alpha 113.03607000\n_cell_angle_beta 120.49788000\n_cell_angle_gamma 70.37631000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99971142\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59850089 0.64196658 -0.11641446 1\n C C1 1 0.62100514 1.00066787 0.58567560 1\n C C2 1 0.63709694 0.55486954 0.37918240 1\n C C3 1 0.30721512 0.48477864 1.01415965 1\n C C4 1 0.32319567 1.03926502 0.80733080 1\n C C5 1 0.34692764 0.39883093 0.51069950 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45651000\n_cell_length_b 4.76998000\n_cell_length_c 4.95997000\n_cell_angle_alpha 86.31844000\n_cell_angle_beta 117.32589000\n_cell_angle_gamma 89.79040000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.45129135\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09489899 0.54346654 0.28922137 1\n C C1 1 0.30530812 0.28817918 0.74952420 1\n C C2 1 0.91084325 0.64724088 0.99757335 1\n C C3 1 0.44099314 0.67295623 0.50763683 1\n C C4 1 0.33824477 1.08978772 -0.01576830 1\n C C5 1 0.99214431 0.30049868 0.42841332 1\n C C6 1 1.01301886 0.89142600 0.85934984 1\n C C7 1 0.56471614 0.51803910 0.77931833 1\n C C8 1 0.66703906 0.10213967 0.30393394 1\n C C9 1 0.70079276 0.90204772 0.53770703 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54353000\n_cell_length_b 4.22871000\n_cell_length_c 5.56542000\n_cell_angle_alpha 90.03110000\n_cell_angle_beta 90.12951000\n_cell_angle_gamma 90.03049000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.86065660\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88509414 0.05117806 0.71629370 1\n C C1 1 0.88608243 0.57989841 0.47763947 1\n C C2 1 0.38475217 0.91859648 0.84710213 1\n C C3 1 -0.11318834 0.89337285 0.47736485 1\n C C4 1 0.38475756 0.42052177 0.09394924 1\n C C5 1 -0.11395369 0.41865100 0.24801023 1\n C C6 1 0.88471214 0.42300587 0.71641554 1\n C C7 1 0.38504565 0.05428064 0.09375243 1\n C C8 1 0.38440507 0.55573854 0.84723902 1\n C C9 1 0.88647947 0.05533527 0.24783789 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46534000\n_cell_length_b 5.81204000\n_cell_length_c 3.38326000\n_cell_angle_alpha 97.67819000\n_cell_angle_beta 111.34169000\n_cell_angle_gamma 64.86475000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.86497926\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84869117 0.63896692 0.74076012 1\n C C1 1 0.80302402 0.23860032 0.85360520 1\n C C2 1 0.11764966 0.96348093 0.92685471 1\n C C3 1 1.13255453 0.76408561 0.55846302 1\n C C4 1 0.15738918 0.36382108 -0.18799265 1\n C C5 1 0.83381683 0.83852804 0.10925340 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41684000\n_cell_length_b 4.95179000\n_cell_length_c 7.76142000\n_cell_angle_alpha 113.47525000\n_cell_angle_beta 75.62299000\n_cell_angle_gamma 122.26831000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 101.73998859\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03290285 0.34628839 0.18462660 1\n C C1 1 -0.14380612 0.18141738 0.45080991 1\n C C2 1 0.86949343 0.00626515 0.57150083 1\n C C3 1 0.53244366 0.61617730 0.18835106 1\n C C4 1 0.43944672 0.89640257 0.32188180 1\n C C5 1 0.77907704 0.29112855 0.91138061 1\n C C6 1 0.29322606 0.94546642 0.15537017 1\n C C7 1 -0.04630877 0.55123303 0.56576371 1\n C C8 1 0.57052509 0.59129000 0.72776910 1\n C C9 1 0.31767863 0.05651018 0.81358624 1\n C C10 1 1.16175872 0.25150459 0.74967401 1\n C C11 1 0.69954412 0.49562907 0.29254763 1\n C C12 1 0.19981966 0.22548618 0.28874439 1\n C C13 1 0.00328768 0.74972044 0.44459408 1\n C C14 1 0.41482199 0.78573126 0.66351049 1\n C C15 1 0.72953841 0.09259935 0.03259560 1\n C C16 1 0.87629151 0.66070615 0.02652496 1\n C C17 1 0.86329532 0.83621158 0.90581801 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.41522000\n_cell_length_b 4.33842000\n_cell_length_c 3.32353000\n_cell_angle_alpha 90.41497000\n_cell_angle_beta 131.68859000\n_cell_angle_gamma 90.04104000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.53871834\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62680748 0.19633613 0.33728495 1\n C C1 1 0.95767770 0.84711691 0.29289313 1\n C C2 1 0.97942894 0.19642192 0.33707148 1\n C C3 1 0.35290700 0.36328718 0.79184676 1\n C C4 1 0.60497817 0.84705811 0.29314504 1\n C C5 1 0.70794599 0.36328000 0.79157803 1\n C C6 1 0.23153922 0.68018511 -0.16160650 1\n C C7 1 0.87655119 0.68023564 0.83859871 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41158000\n_cell_length_b 3.41255000\n_cell_length_c 5.94156000\n_cell_angle_alpha 100.31193000\n_cell_angle_beta 115.74477000\n_cell_angle_gamma 86.08060000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.29668357\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30258406 0.90194254 1.06405014 1\n C C1 1 0.46939904 0.54943370 0.39927636 1\n C C2 1 1.00662313 0.53106409 0.91604826 1\n C C3 1 0.78431700 0.38277457 0.06396713 1\n C C4 1 0.16414391 0.17580130 0.24000612 1\n C C5 1 0.11265352 0.14007454 0.63186871 1\n C C6 1 0.12537980 0.89962594 0.40435184 1\n C C7 1 0.81826191 0.42944715 0.63090787 1\n C C8 1 0.68573376 0.69636213 0.24012656 1\n C C9 1 0.34927088 0.18517453 0.91203981 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.58812000\n_cell_length_b 4.43619000\n_cell_length_c 5.49324000\n_cell_angle_alpha 57.47329000\n_cell_angle_beta 53.07851000\n_cell_angle_gamma 73.22394000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.86225388\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04009168 0.98814285 0.09890215 1\n C C1 1 0.48015914 0.49841606 0.87520721 1\n C C2 1 -0.06837027 0.72088110 0.64070207 1\n C C3 1 0.55608802 0.16500953 0.83034895 1\n C C4 1 0.31534354 0.36182941 0.26710705 1\n C C5 1 0.86397273 0.13954401 0.50143034 1\n C C6 1 1.03024650 0.61171010 0.90897666 1\n C C7 1 0.75552704 0.87199194 0.04325222 1\n C C8 1 0.76533573 0.24832109 0.23326813 1\n C C9 1 0.23973900 0.69529002 0.31171032 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47918000\n_cell_length_b 3.68530000\n_cell_length_c 4.21471000\n_cell_angle_alpha 74.95061000\n_cell_angle_beta 89.87282000\n_cell_angle_gamma 70.47456000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.89695725\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80880860 0.61078268 0.33494596 1\n C C1 1 0.03358605 0.16466759 0.54131666 1\n C C2 1 0.77711151 0.67938034 0.97013005 1\n C C3 1 0.35549755 0.52223923 0.83962626 1\n C C4 1 0.23082025 0.76709265 0.46587108 1\n C C5 1 0.55189724 0.12538582 0.76344319 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06239000\n_cell_length_b 4.50775000\n_cell_length_c 5.19442000\n_cell_angle_alpha 59.40657000\n_cell_angle_beta 66.17482000\n_cell_angle_gamma 77.30792000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.45568414\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20147327 0.61471984 0.61272229 1\n C C1 1 0.20147337 0.11477169 0.11256525 1\n C C2 1 0.53496677 0.94799446 -0.05411790 1\n C C3 1 0.70134474 0.61464449 0.11258134 1\n C C4 1 0.70109578 1.11452225 0.61283645 1\n C C5 1 1.03426038 0.94762435 0.44606766 1\n C C6 1 0.53484420 0.44779929 0.44601673 1\n C C7 1 1.03461449 0.44785674 0.94590488 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.08732000\n_cell_length_b 4.21022000\n_cell_length_c 4.85706000\n_cell_angle_alpha 89.94626000\n_cell_angle_beta 87.37505000\n_cell_angle_gamma 64.72913000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.01959800\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03127209 0.49106306 0.92917551 1\n C C1 1 -0.03659148 0.65948606 0.17929414 1\n C C2 1 -0.03659148 0.15948606 0.92929414 1\n C C3 1 0.96872791 -0.00893694 0.67917551 1\n C C4 1 -0.03659148 0.65948606 0.67929414 1\n C C5 1 0.96872791 0.49106306 0.42917551 1\n C C6 1 0.96340852 0.15948606 0.42929414 1\n C C7 1 0.96872791 0.99106306 0.17917551 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43836000\n_cell_length_b 5.52071000\n_cell_length_c 6.55088000\n_cell_angle_alpha 113.08972000\n_cell_angle_beta 95.88189000\n_cell_angle_gamma 89.90673000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 113.68528375\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25879180 0.39649576 0.62823016 1\n C C1 1 1.03067307 0.38595399 0.98453312 1\n C C2 1 0.69664757 0.52151484 -0.06715973 1\n C C3 1 0.30981473 0.17030134 0.22472341 1\n C C4 1 0.31925755 0.31221393 0.82455150 1\n C C5 1 0.45757909 -0.05275614 0.06314487 1\n C C6 1 0.51038477 0.88018371 0.83719156 1\n C C7 1 0.50780871 -0.02654121 0.49905658 1\n C C8 1 0.64735887 0.74800908 0.33641069 1\n C C9 1 0.92533248 0.53219054 0.57690351 1\n C C10 1 0.87241600 0.54529490 0.37210830 1\n C C11 1 0.60214596 0.74759288 0.12575178 1\n C C12 1 0.35631051 0.17115675 0.43564497 1\n C C13 1 0.45681683 1.04006170 0.72523881 1\n C C14 1 0.63883787 0.60708819 0.73739514 1\n C C15 1 1.08136879 0.37101584 0.18848284 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47344000\n_cell_length_b 4.23331000\n_cell_length_c 5.45940000\n_cell_angle_alpha 89.99075000\n_cell_angle_beta 89.98783000\n_cell_angle_gamma 89.99848000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.16449249\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18646036 0.79376661 0.66979884 1\n C C1 1 0.18641916 0.46259680 1.04350636 1\n C C2 1 0.68685506 0.44160452 0.40967807 1\n C C3 1 0.68652849 -0.03439211 0.75643851 1\n C C4 1 0.68647333 0.30529000 0.14762993 1\n C C5 1 1.18665329 0.66286919 0.40962503 1\n C C6 1 0.18628706 0.46245913 0.77588029 1\n C C7 1 0.68651358 0.96570788 0.06211348 1\n C C8 1 1.18641529 0.79398353 0.14931329 1\n C C9 1 0.68652287 0.30524306 0.67164371 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68878000\n_cell_length_b 2.48086000\n_cell_length_c 4.84112000\n_cell_angle_alpha 104.89809000\n_cell_angle_beta 122.58748000\n_cell_angle_gamma 70.32575000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98836662\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46426403 0.63978018 0.78679489 1\n C C1 1 0.52075245 0.89579751 0.35834579 1\n C C2 1 0.80824172 0.31756325 0.48920187 1\n C C3 1 0.28164435 0.12019068 0.56505127 1\n C C4 1 0.22483608 -0.13543358 0.99324335 1\n C C5 1 0.93709827 0.44300835 0.86224252 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42992000\n_cell_length_b 3.02309000\n_cell_length_c 6.41658000\n_cell_angle_alpha 76.41144000\n_cell_angle_beta 91.41007000\n_cell_angle_gamma 69.38623000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.58312270\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37727871 0.01619607 0.10507109 1\n C C1 1 1.04287500 0.68556268 0.43871595 1\n C C2 1 0.82115632 0.12863233 0.99360576 1\n C C3 1 0.71085665 1.34891940 0.77126764 1\n C C4 1 0.48611101 -0.20088001 0.32766409 1\n C C5 1 0.15343291 0.46437603 0.66088176 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34132000\n_cell_length_b 3.53155000\n_cell_length_c 5.37570000\n_cell_angle_alpha 87.77438000\n_cell_angle_beta 94.26615000\n_cell_angle_gamma 104.03399000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.35541750\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.09921416 0.33963268 0.34787797 1\n C C1 1 0.65969835 0.15378412 0.26809964 1\n C C2 1 0.18846784 0.27964710 0.89242431 1\n C C3 1 0.40062235 0.42964799 0.14028381 1\n C C4 1 0.48856187 0.37027680 0.68465002 1\n C C5 1 0.66008923 0.82548168 0.10604940 1\n C C6 1 0.36985025 0.06626112 0.48050434 1\n C C7 1 0.21798354 0.64450028 0.55143395 1\n C C8 1 0.92674108 0.88341816 -0.07420441 1\n C C9 1 -0.07177447 0.55529527 0.76434048 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42572000\n_cell_length_b 4.21781000\n_cell_length_c 4.21704000\n_cell_angle_alpha 90.22242000\n_cell_angle_beta 90.00377000\n_cell_angle_gamma 90.02355000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.14516076\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63589737 0.37393115 0.37674973 1\n C C1 1 0.63536469 0.96685952 -0.03095176 1\n C C2 1 0.13583463 0.40130587 0.53244241 1\n C C3 1 0.13523317 0.81093695 -0.05920451 1\n C C4 1 0.63549208 0.31459309 0.02846068 1\n C C5 1 0.13563196 0.46282142 0.88077485 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43245000\n_cell_length_b 6.76717000\n_cell_length_c 7.66823000\n_cell_angle_alpha 94.04375000\n_cell_angle_beta 100.22496000\n_cell_angle_gamma 72.54661000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 118.48153309\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30905825 0.34584925 0.24073624 1\n C C1 1 0.65070912 0.71533127 0.65454288 1\n C C2 1 0.44649695 0.12751048 0.18448984 1\n C C3 1 0.64941307 0.51749724 0.98612164 1\n C C4 1 0.16814020 0.81354409 0.10213347 1\n C C5 1 0.55176469 0.84365840 0.81807434 1\n C C6 1 0.67777112 0.46120142 0.17595318 1\n C C7 1 1.00952076 1.03068322 0.15802872 1\n C C8 1 0.35936734 0.07012501 0.81006083 1\n C C9 1 -0.04970927 0.47230143 0.70228507 1\n C C10 1 0.42318620 0.34941852 0.43897127 1\n C C11 1 0.06103231 0.74706703 0.54698688 1\n C C12 1 0.45461370 0.68364946 0.26659511 1\n C C13 1 0.76924487 1.17649465 0.81234470 1\n C C14 1 0.63979114 0.74490844 0.99085903 1\n C C15 1 0.57452946 0.41023465 0.81044810 1\n C C16 1 -0.01806429 0.72065963 0.37140723 1\n C C17 1 0.95313086 0.36657031 0.52681606 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47062000\n_cell_length_b 8.08701000\n_cell_length_c 7.54439000\n_cell_angle_alpha 71.74609000\n_cell_angle_beta 80.55775000\n_cell_angle_gamma 98.77012000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 137.82756644\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13292995 1.01763867 0.43479473 1\n C C1 1 0.58795268 0.53928143 0.05391628 1\n C C2 1 0.17977777 0.83243744 0.16330497 1\n C C3 1 1.22632801 1.00475767 0.23234046 1\n C C4 1 0.01296761 0.63775148 0.30221694 1\n C C5 1 0.65821318 0.31082282 0.67480849 1\n C C6 1 0.82515010 0.09864508 0.12880095 1\n C C7 1 0.53011954 0.37269466 0.00186417 1\n C C8 1 0.42621112 0.59192571 0.42786457 1\n C C9 1 0.39928398 0.69468577 0.57509175 1\n C C10 1 0.84695530 0.84989597 0.84715157 1\n C C11 1 0.76514007 0.87477632 0.03527314 1\n C C12 1 0.74417979 0.67093094 0.86672322 1\n C C13 1 0.24606023 0.35680618 0.54717993 1\n C C14 1 -0.13712639 0.32041009 0.28545680 1\n C C15 1 0.27044424 0.25212959 0.40137584 1\n C C16 1 1.01711287 0.52278192 0.17997238 1\n C C17 1 -0.19977577 0.62126051 0.69862534 1\n C C18 1 0.90851850 0.07477158 0.93926333 1\n C C19 1 -0.06661752 0.28184361 0.10462676 1\n C C20 1 0.49391403 0.11698559 0.81093101 1\n C C21 1 0.53627538 -0.07122881 0.54052736 1\n C C22 1 0.65652071 0.42566354 0.79163926 1\n C C23 1 0.44730581 -0.05369546 0.74118564 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44411000\n_cell_length_b 4.84116000\n_cell_length_c 7.39738000\n_cell_angle_alpha 67.12306000\n_cell_angle_beta 89.82087000\n_cell_angle_gamma 59.71254000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.55736950\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62326010 1.04884498 0.69277760 1\n C C1 1 0.79262554 0.87760277 0.40230549 1\n C C2 1 0.36998504 0.29987351 0.27363512 1\n C C3 1 0.43243880 0.73796064 0.35129711 1\n C C4 1 -0.34903062 0.52066506 0.73611310 1\n C C5 1 0.76016056 0.40991198 -0.04117114 1\n C C6 1 0.70462766 0.46538421 0.30499593 1\n C C7 1 0.98062622 0.19177901 0.70834552 1\n C C8 1 0.92685654 0.74599155 0.64123504 1\n C C9 1 0.29944256 0.36984491 0.05594843 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.92549000\n_cell_length_b 4.85735000\n_cell_length_c 5.39262000\n_cell_angle_alpha 81.87887000\n_cell_angle_beta 94.49736000\n_cell_angle_gamma 120.33577000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.85212105\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70407085 0.01428542 0.84433761 1\n C C1 1 0.37241152 0.18154378 0.51032694 1\n C C2 1 0.03745604 0.34763775 0.17754400 1\n C C3 1 0.37241319 0.68154981 0.51033092 1\n C C4 1 0.26215560 0.90435620 0.39872182 1\n C C5 1 0.26213385 0.40435162 0.39872684 1\n C C6 1 0.70408417 0.51429975 0.84431781 1\n C C7 1 0.59436102 0.23717739 0.73256335 1\n C C8 1 0.92662676 0.57021019 1.06622099 1\n C C9 1 1.03750799 0.84766254 0.17754026 1\n C C10 1 -0.07340146 0.07018395 0.06623982 1\n C C11 1 0.59437587 0.73719280 0.73255854 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43154000\n_cell_length_b 5.11080000\n_cell_length_c 5.63887000\n_cell_angle_alpha 121.26544000\n_cell_angle_beta 91.40694000\n_cell_angle_gamma 102.98071000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.52341502\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79211385 0.90109515 0.70992712 1\n C C1 1 0.54209244 0.40100438 0.96029153 1\n C C2 1 0.12550421 0.56728454 0.04473952 1\n C C3 1 0.04201589 0.40060397 0.46076623 1\n C C4 1 0.37540572 0.06751723 0.79318593 1\n C C5 1 0.29185920 0.90038363 0.21124926 1\n C C6 1 0.62547639 0.56728990 0.54339541 1\n C C7 1 0.87519749 1.06676269 0.29473231 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42988000\n_cell_length_b 2.43023000\n_cell_length_c 8.49465000\n_cell_angle_alpha 81.79786000\n_cell_angle_beta 83.95901000\n_cell_angle_gamma 60.00063000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.96409742\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64726444 0.14528502 0.99901424 1\n C C1 1 0.63036646 0.04011078 0.32875916 1\n C C2 1 0.96416973 0.37339886 0.32874659 1\n C C3 1 0.62581663 -0.12346897 0.65966382 1\n C C4 1 0.29304423 0.54284036 0.65986090 1\n C C5 1 0.31447112 0.81189715 -0.00149832 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56061000\n_cell_length_b 2.47897000\n_cell_length_c 5.73303000\n_cell_angle_alpha 77.54486000\n_cell_angle_beta 90.13334000\n_cell_angle_gamma 90.20979000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53466536\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71872361 0.19267696 0.10146676 1\n C C1 1 0.22136234 -0.03878220 0.56090520 1\n C C2 1 0.22080864 0.53881272 0.40684367 1\n C C3 1 0.71906665 0.62001685 0.24617037 1\n C C4 1 0.72092516 0.87989087 0.72153403 1\n C C5 1 0.72051460 0.30714220 0.86632637 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.73893000\n_cell_length_b 4.33873000\n_cell_length_c 4.67649000\n_cell_angle_alpha 56.76229000\n_cell_angle_beta 71.18118000\n_cell_angle_gamma 62.80304000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.19488497\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82098399 0.97467683 0.52884003 1\n C C1 1 0.18349468 0.33158490 0.28737205 1\n C C2 1 0.63481141 0.75348815 0.28044825 1\n C C3 1 0.31734050 0.32413357 0.92451675 1\n C C4 1 0.18606831 0.69351272 0.25306872 1\n C C5 1 0.16723574 -0.31805925 0.59987514 1\n C C6 1 0.37242784 0.91414167 0.50179835 1\n C C7 1 0.42782321 0.88487648 0.02790801 1\n C C8 1 0.57968786 0.78282560 0.75421360 1\n C C9 1 0.68962532 0.34374738 0.85775992 1\n C C10 1 0.82370473 0.33639157 0.49472487 1\n C C11 1 0.84013130 0.98595088 0.18221152 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47222000\n_cell_length_b 3.88980000\n_cell_length_c 5.97321000\n_cell_angle_alpha 88.91991000\n_cell_angle_beta 78.06237000\n_cell_angle_gamma 90.05015000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.18811202\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13354813 0.53233774 0.92762958 1\n C C1 1 0.56907251 1.06224618 0.05957070 1\n C C2 1 0.03817329 0.25047958 0.12404414 1\n C C3 1 0.63327327 0.73850670 0.92809474 1\n C C4 1 -0.30044624 1.07006256 0.79935156 1\n C C5 1 0.36110647 0.33732002 0.48413654 1\n C C6 1 0.23217749 0.26081821 0.73340770 1\n C C7 1 -0.08173492 0.33295210 0.37056343 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42833000\n_cell_length_b 5.49326000\n_cell_length_c 3.80805000\n_cell_angle_alpha 94.90355000\n_cell_angle_beta 60.82881000\n_cell_angle_gamma 96.66373000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.03038556\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60763068 0.97643104 0.82424381 1\n C C1 1 1.16173817 0.86453716 0.71420543 1\n C C2 1 -0.17015395 0.53164053 0.37940697 1\n C C3 1 0.49500822 0.19795384 0.04708825 1\n C C4 1 0.27572578 0.64338587 0.48991816 1\n C C5 1 0.94109321 0.30986576 1.15745277 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48051000\n_cell_length_b 2.48064000\n_cell_length_c 8.29884000\n_cell_angle_alpha 90.00549000\n_cell_angle_beta 81.41188000\n_cell_angle_gamma 120.02756000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.54901502\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57530802 0.28927562 0.74048631 1\n C C1 1 1.07725751 0.04016307 0.48885716 1\n C C2 1 0.78546798 0.39428276 0.42637175 1\n C C3 1 -0.04942262 -0.02313331 0.67779107 1\n C C4 1 0.44811608 1.22548442 0.92942363 1\n C C5 1 0.73991019 0.87144531 -0.00838504 1\n C C6 1 0.90865192 0.45619739 0.23994850 1\n C C7 1 0.61639622 0.81004333 0.17802862 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54266000\n_cell_length_b 2.44800000\n_cell_length_c 6.46957000\n_cell_angle_alpha 90.86023000\n_cell_angle_beta 100.34006000\n_cell_angle_gamma 85.56840000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.49694717\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11695572 0.81502333 0.82355007 1\n C C1 1 1.17416374 0.31381295 0.93064767 1\n C C2 1 0.35032114 0.81207741 0.26036243 1\n C C3 1 0.46020141 0.81249534 0.48986908 1\n C C4 1 0.29261462 0.31338862 0.15246920 1\n C C5 1 0.00728777 0.81354475 0.59362894 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55039000\n_cell_length_b 2.43761000\n_cell_length_c 6.47534000\n_cell_angle_alpha 91.32112000\n_cell_angle_beta 100.46855000\n_cell_angle_gamma 89.82975000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.57563033\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17783028 0.99028786 0.81462537 1\n C C1 1 0.35450910 0.51406238 0.14397973 1\n C C2 1 0.51725722 0.01664893 0.48181232 1\n C C3 1 0.40961350 0.02073814 0.25216802 1\n C C4 1 1.06499001 0.99703492 0.58481536 1\n C C5 1 0.23605029 0.49715047 0.92243199 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31837000\n_cell_length_b 3.51759000\n_cell_length_c 3.51617000\n_cell_angle_alpha 59.99918000\n_cell_angle_beta 89.99685000\n_cell_angle_gamma 89.99777000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54405179\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37367117 0.89527425 0.40523244 1\n C C1 1 0.53976973 0.35881729 0.17364175 1\n C C2 1 0.03984730 0.89551255 0.10017272 1\n C C3 1 0.87370496 0.35913566 0.86877256 1\n C C4 1 0.20773853 0.66305565 -0.13115326 1\n C C5 1 0.70773861 0.59086780 0.40520308 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43642000\n_cell_length_b 7.97850000\n_cell_length_c 6.86456000\n_cell_angle_alpha 114.58770000\n_cell_angle_beta 107.64731000\n_cell_angle_gamma 107.78604000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 100.26657763\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29336266 0.70655300 0.74851647 1\n C C1 1 -0.11291267 0.79954852 0.74980805 1\n C C2 1 -0.24621135 0.11209074 0.39228923 1\n C C3 1 0.88894137 0.80767029 0.32415568 1\n C C4 1 1.21836274 0.35375364 0.07105124 1\n C C5 1 0.70213492 0.50601800 0.87219435 1\n C C6 1 0.15502773 0.01060533 0.81604419 1\n C C7 1 1.15890025 1.01881334 0.39073756 1\n C C8 1 0.84968476 0.26171652 0.32991045 1\n C C9 1 1.22622169 0.69769641 0.26325466 1\n C C10 1 0.20074795 0.55728394 0.81137133 1\n C C11 1 0.34833291 0.31295516 0.26916602 1\n C C12 1 0.82801235 0.46447970 1.06957847 1\n C C13 1 0.81721359 0.12051561 -0.12352001 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50308000\n_cell_length_b 3.87737000\n_cell_length_c 7.95154000\n_cell_angle_alpha 89.91142000\n_cell_angle_beta 108.17533000\n_cell_angle_gamma 90.00247000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.32210477\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11171614 -0.03066428 0.65085838 1\n C C1 1 0.62990453 1.15712137 0.17456808 1\n C C2 1 0.81649273 0.65292842 0.36306873 1\n C C3 1 0.84840506 0.16130598 0.88975738 1\n C C4 1 1.03541541 0.27903853 0.07830094 1\n C C5 1 0.24172551 0.26815549 0.78339348 1\n C C6 1 0.24198842 0.67086261 0.78364922 1\n C C7 1 0.84854197 0.77646008 0.88994977 1\n C C8 1 0.03537069 0.65572022 0.07844969 1\n C C9 1 -0.18383632 0.27956891 0.36264787 1\n C C10 1 -0.07187502 -0.03292735 0.47034119 1\n C C11 1 0.62998378 0.77675632 0.17485067 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47530000\n_cell_length_b 4.24769000\n_cell_length_c 4.24977000\n_cell_angle_alpha 51.94227000\n_cell_angle_beta 89.98056000\n_cell_angle_gamma 90.01329000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18324549\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59301692 0.46159324 0.04458552 1\n C C1 1 0.09288173 0.50801742 0.49888638 1\n C C2 1 0.59287429 0.61849228 0.60973261 1\n C C3 1 0.09289875 0.07310864 0.65585320 1\n C C4 1 0.59281173 1.05337990 0.45275402 1\n C C5 1 0.09295578 0.66497403 1.06401276 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50726000\n_cell_length_b 6.73445000\n_cell_length_c 6.31857000\n_cell_angle_alpha 57.74132000\n_cell_angle_beta 88.05881000\n_cell_angle_gamma 86.36538000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.03989649\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10007943 0.64349548 0.67506135 1\n C C1 1 0.62066706 0.15921776 0.04059150 1\n C C2 1 0.42027060 0.52886911 0.64506598 1\n C C3 1 0.87714161 0.65052456 0.92016022 1\n C C4 1 0.42019306 0.25387494 0.19526476 1\n C C5 1 0.36553969 0.01973937 0.44924653 1\n C C6 1 0.81759996 0.90970353 0.19549985 1\n C C7 1 0.62039771 0.27943149 0.80000527 1\n C C8 1 0.36231880 0.78811564 0.92006966 1\n C C9 1 0.33773108 0.79517784 0.16531622 1\n C C10 1 0.33740589 0.04020347 0.67538234 1\n C C11 1 0.89958686 0.39862963 0.16503767 1\n C C12 1 0.36560341 0.54857817 0.39134528 1\n C C13 1 0.87410239 0.89017866 0.44933488 1\n C C14 1 0.81699639 0.18494950 0.64515673 1\n C C15 1 0.87399872 0.41902694 0.39124435 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50114000\n_cell_length_b 4.93114000\n_cell_length_c 6.03389000\n_cell_angle_alpha 107.70341000\n_cell_angle_beta 89.96659000\n_cell_angle_gamma 120.48446000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.01455952\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22936922 0.39563506 0.88668647 1\n C C1 1 0.16765597 0.83230632 0.76551282 1\n C C2 1 0.80599416 0.47216580 0.76552035 1\n C C3 1 0.42299324 1.09011419 0.26987133 1\n C C4 1 0.21206178 0.87750293 0.53405949 1\n C C5 1 0.36445983 0.53095211 0.16022213 1\n C C6 1 0.00423369 0.17098076 0.16091908 1\n C C7 1 0.52937563 0.19644531 0.53449754 1\n C C8 1 0.86467974 1.03004831 0.88696667 1\n C C9 1 1.05480494 0.72135402 0.26924063 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47945000\n_cell_length_b 2.53604000\n_cell_length_c 6.24899000\n_cell_angle_alpha 66.96541000\n_cell_angle_beta 101.48763000\n_cell_angle_gamma 89.95495000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.30101349\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12289721 0.46404720 0.51754303 1\n C C1 1 0.43374445 0.86428638 1.13723869 1\n C C2 1 0.69403003 0.32080738 0.65996109 1\n C C3 1 1.00397607 0.72194812 0.27977658 1\n C C4 1 0.35327499 0.51756809 0.97621376 1\n C C5 1 0.77556995 0.66714263 0.82111455 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27034000\n_cell_length_b 3.27765000\n_cell_length_c 3.63177000\n_cell_angle_alpha 75.47838000\n_cell_angle_beta 75.52699000\n_cell_angle_gamma 80.80477000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.29301461\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57587899 0.52020842 0.83208126 1\n C C1 1 0.30713536 0.57503467 0.21339026 1\n C C2 1 -0.00943453 0.89218710 1.21367784 1\n C C3 1 0.93618847 0.15857812 0.83234004 1\n C C4 1 0.72337542 0.94639305 0.59505015 1\n C C5 1 0.36200669 0.30669684 0.59502146 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51741000\n_cell_length_b 3.51796000\n_cell_length_c 3.31989000\n_cell_angle_alpha 90.00068000\n_cell_angle_beta 90.00457000\n_cell_angle_gamma 120.03221000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.56535636\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97954498 0.49908258 1.00015736 1\n C C1 1 0.21159879 0.26718024 0.16621340 1\n C C2 1 0.67569404 0.19498741 0.66608205 1\n C C3 1 0.67589364 0.49926540 0.33402166 1\n C C4 1 0.21173469 -0.03690276 0.83417317 1\n C C5 1 0.90794156 0.96331524 0.50018027 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48464000\n_cell_length_b 4.08586000\n_cell_length_c 6.56229000\n_cell_angle_alpha 134.88755000\n_cell_angle_beta 100.93649000\n_cell_angle_gamma 89.99009000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.47809735\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57460418 -0.15451927 0.33596474 1\n C C1 1 0.24751869 0.89407778 0.67901741 1\n C C2 1 0.46208041 -0.14025370 0.10868315 1\n C C3 1 0.96102803 1.08367694 1.10619171 1\n C C4 1 0.07607071 0.62140675 0.33818005 1\n C C5 1 0.73110480 0.33963699 0.65030146 1\n C C6 1 0.79093309 0.81038200 0.76548463 1\n C C7 1 0.30349940 0.36491881 0.79449555 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50366000\n_cell_length_b 3.29814000\n_cell_length_c 7.10818000\n_cell_angle_alpha 65.95173000\n_cell_angle_beta 88.60343000\n_cell_angle_gamma 67.85890000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.06535584\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28401576 0.91341823 0.58253520 1\n C C1 1 0.43623976 0.58317501 0.91345433 1\n C C2 1 0.14089825 0.12171186 0.37547175 1\n C C3 1 0.54171134 0.39778676 0.74014512 1\n C C4 1 0.18116993 1.11369162 0.74017958 1\n C C5 1 0.88348644 0.63844111 0.21750488 1\n C C6 1 0.99047500 0.45352793 0.04424723 1\n C C7 1 0.24503801 0.92167487 0.21759470 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43367000\n_cell_length_b 3.08595000\n_cell_length_c 6.40233000\n_cell_angle_alpha 99.85834000\n_cell_angle_beta 100.72815000\n_cell_angle_gamma 66.78644000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.16200463\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03421603 0.28634219 0.13472538 1\n C C1 1 0.59201037 0.28370691 0.24549849 1\n C C2 1 0.36715038 0.28648570 0.80092837 1\n C C3 1 0.70096812 0.28596567 0.46756681 1\n C C4 1 -0.07501194 0.28470066 0.91261321 1\n C C5 1 0.25852425 0.28441538 0.57882493 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42993000\n_cell_length_b 2.42941000\n_cell_length_c 8.78168000\n_cell_angle_alpha 74.95609000\n_cell_angle_beta 74.09151000\n_cell_angle_gamma 59.98975000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.70220548\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39785274 0.71811007 0.42997731 1\n C C1 1 0.63254534 0.89793395 0.09699772 1\n C C2 1 0.54639209 0.80709915 0.76403859 1\n C C3 1 -0.03390684 0.23107419 0.09692588 1\n C C4 1 0.87981105 0.14044538 0.76394677 1\n C C5 1 0.06409562 0.38424857 0.43066923 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60057000\n_cell_length_b 4.76632000\n_cell_length_c 4.94049000\n_cell_angle_alpha 58.74087000\n_cell_angle_beta 89.85779000\n_cell_angle_gamma 73.61634000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.44350979\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76643315 0.11819016 0.66044833 1\n C C1 1 0.66218570 0.32519190 0.30725949 1\n C C2 1 0.93392912 0.77297926 0.83327273 1\n C C3 1 0.66226887 0.32521864 0.80723947 1\n C C4 1 0.03746672 0.56608754 0.68679226 1\n C C5 1 0.93378638 0.77299059 0.33325435 1\n C C6 1 0.03739200 0.56605982 0.18681363 1\n C C7 1 -0.23368834 1.11819889 0.16043134 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46610000\n_cell_length_b 3.38303000\n_cell_length_c 5.24940000\n_cell_angle_alpha 90.82085000\n_cell_angle_beta 90.07754000\n_cell_angle_gamma 111.20399000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.82498147\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43226364 0.83783791 0.12330412 1\n C C1 1 0.05373325 0.08906446 0.52338380 1\n C C2 1 0.61740504 1.20933123 0.92306725 1\n C C3 1 0.57592668 0.13450113 0.64836271 1\n C C4 1 0.20764888 0.38977874 1.04883488 1\n C C5 1 0.02198850 0.01836263 0.24800383 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42973000\n_cell_length_b 2.42927000\n_cell_length_c 11.34689000\n_cell_angle_alpha 89.42572000\n_cell_angle_beta 96.70103000\n_cell_angle_gamma 120.00708000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.51039386\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45601030 0.39010008 0.13928673 1\n C C1 1 0.31812124 0.86426387 0.39330905 1\n C C2 1 0.05344976 0.69503651 0.89124976 1\n C C3 1 0.78910441 0.05683173 0.13964005 1\n C C4 1 0.98442284 0.19731076 0.39281079 1\n C C5 1 0.55405826 0.94748757 0.63911488 1\n C C6 1 0.38646244 0.36157332 0.89168773 1\n C C7 1 -0.11232305 -0.38576734 0.63955061 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68946000\n_cell_length_b 4.21814000\n_cell_length_c 5.08973000\n_cell_angle_alpha 100.72159000\n_cell_angle_beta 113.44073000\n_cell_angle_gamma 75.10542000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.91666572\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14814898 0.75031642 0.73439302 1\n C C1 1 -0.03570911 1.24583152 0.46243593 1\n C C2 1 0.76169308 0.32159348 0.86241296 1\n C C3 1 0.28085350 0.61896429 1.02329055 1\n C C4 1 0.46457110 0.24568515 0.96253413 1\n C C5 1 0.78100668 0.61911643 0.52368719 1\n C C6 1 0.48196521 0.54401215 0.62242728 1\n C C7 1 0.64771654 0.75030534 0.23407818 1\n C C8 1 0.09612956 0.11507316 0.75120479 1\n C C9 1 0.59612773 0.11514718 0.25190835 1\n C C10 1 -0.01798060 0.54402371 0.12260258 1\n C C11 1 0.26156643 0.32191517 0.36287794 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47439000\n_cell_length_b 4.11776000\n_cell_length_c 4.94567000\n_cell_angle_alpha 90.00055000\n_cell_angle_beta 120.02904000\n_cell_angle_gamma 90.00987000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.62724405\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25829756 0.76303451 0.74613625 1\n C C1 1 0.25834743 0.38798427 0.74614877 1\n C C2 1 0.59176384 0.26303803 0.07949302 1\n C C3 1 0.59176384 0.26303803 0.57949302 1\n C C4 1 0.59181370 0.88798780 0.07950553 1\n C C5 1 0.25829756 0.76303451 0.24613625 1\n C C6 1 0.25834743 0.38798427 0.24614877 1\n C C7 1 0.59181370 0.88798780 0.57950553 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48554000\n_cell_length_b 4.68013000\n_cell_length_c 4.78179000\n_cell_angle_alpha 87.72678000\n_cell_angle_beta 58.65905000\n_cell_angle_gamma 74.60338000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.47507214\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78917832 0.64442353 0.21388402 1\n C C1 1 0.82942653 0.61487369 0.68838441 1\n C C2 1 0.31374921 1.07089533 0.97611032 1\n C C3 1 0.37620791 0.75960759 0.56941233 1\n C C4 1 0.41636727 0.73019109 0.04405198 1\n C C5 1 -0.10871900 0.30370456 0.28193967 1\n C C6 1 1.16640114 0.30137880 0.50824963 1\n C C7 1 0.03898532 1.07308660 0.74983725 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30059000\n_cell_length_b 3.30041000\n_cell_length_c 4.81699000\n_cell_angle_alpha 77.84684000\n_cell_angle_beta 102.15378000\n_cell_angle_gamma 100.23140000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.65692988\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15899938 0.12612160 0.59547229 1\n C C1 1 -0.15542750 0.44147597 0.42157627 1\n C C2 1 0.62528442 0.34941326 0.13648054 1\n C C3 1 0.73726841 0.58335703 0.88044715 1\n C C4 1 0.06600033 0.90883410 0.88055550 1\n C C5 1 0.20780650 0.80384998 0.42161067 1\n C C6 1 0.52256765 0.48867102 0.59555234 1\n C C7 1 0.29677420 0.02388663 0.13626534 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.01183000\n_cell_length_b 2.43058000\n_cell_length_c 7.20337000\n_cell_angle_alpha 80.69828000\n_cell_angle_beta 57.13106000\n_cell_angle_gamma 90.41186000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.42067880\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66750811 0.26813314 0.61047907 1\n C C1 1 1.11053379 0.37798405 0.38868376 1\n C C2 1 0.33333307 0.93488472 0.27692245 1\n C C3 1 0.44413217 0.71131068 0.72207570 1\n C C4 1 0.77666764 0.04474557 0.05519768 1\n C C5 1 0.00000491 0.60157984 0.94358844 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43351000\n_cell_length_b 5.38616000\n_cell_length_c 5.59181000\n_cell_angle_alpha 85.53491000\n_cell_angle_beta 130.65306000\n_cell_angle_gamma 116.47553000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.27210287\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25758085 0.22869723 0.88552114 1\n C C1 1 1.11532324 0.01728426 0.26453065 1\n C C2 1 0.59281484 0.69014971 0.13660867 1\n C C3 1 -0.01265746 0.51825898 0.17956583 1\n C C4 1 0.65172235 0.05660199 0.92836558 1\n C C5 1 0.80940926 0.28138795 0.55070152 1\n C C6 1 0.12909995 0.72929774 0.80039647 1\n C C7 1 0.43469096 0.46504435 0.51422623 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.26808000\n_cell_length_b 3.69806000\n_cell_length_c 4.27645000\n_cell_angle_alpha 96.68357000\n_cell_angle_beta 121.00082000\n_cell_angle_gamma 104.28329000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.60577667\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79749415 0.71741596 0.38030026 1\n C C1 1 0.16512570 0.75741124 0.40956189 1\n C C2 1 0.43343057 0.57299245 0.68089544 1\n C C3 1 0.44347328 0.17476476 0.60952237 1\n C C4 1 -0.16975018 0.80631173 0.74915873 1\n C C5 1 0.09825148 0.62152796 0.02036077 1\n C C6 1 0.81993211 0.20422135 0.82035206 1\n C C7 1 0.46523768 0.65906855 0.04926258 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51006000\n_cell_length_b 4.24696000\n_cell_length_c 4.35185000\n_cell_angle_alpha 107.93747000\n_cell_angle_beta 104.19734000\n_cell_angle_gamma 92.36596000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.35311717\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.27422423 -0.02721780 0.66606321 1\n C C1 1 1.19685581 0.45210380 0.23035166 1\n C C2 1 0.96532574 0.22138382 0.61430952 1\n C C3 1 0.48880684 0.74446127 0.37670903 1\n C C4 1 0.49041137 0.74351360 0.04997847 1\n C C5 1 -0.03126764 0.21940571 0.28905432 1\n C C6 1 0.19864468 0.45095139 0.90364732 1\n C C7 1 0.72071224 0.97548011 0.99136248 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45125000\n_cell_length_b 4.40840000\n_cell_length_c 6.25499000\n_cell_angle_alpha 91.62101000\n_cell_angle_beta 78.79089000\n_cell_angle_gamma 73.74611000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 63.40665923\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81978580 0.56308971 0.07620045 1\n C C1 1 -0.06654706 0.24966248 0.16370458 1\n C C2 1 0.47589361 0.11897052 0.20865694 1\n C C3 1 0.35996454 0.60689245 0.95453350 1\n C C4 1 0.43188903 0.67161428 0.74436725 1\n C C5 1 0.58754346 0.80705961 0.29787823 1\n C C6 1 1.04695390 0.76442628 0.41979640 1\n C C7 1 0.97333052 0.70198285 0.63052844 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41983000\n_cell_length_b 3.58879000\n_cell_length_c 10.52335000\n_cell_angle_alpha 103.08664000\n_cell_angle_beta 90.34615000\n_cell_angle_gamma 69.60558000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 83.16817805\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68613655 0.36451105 0.73077163 1\n C C1 1 0.31197050 0.10384650 0.31740834 1\n C C2 1 0.34727776 1.03954263 0.52936139 1\n C C3 1 -0.02916205 0.79123039 0.46901198 1\n C C4 1 0.95126987 0.82732162 0.31849913 1\n C C5 1 1.15917300 0.40678142 0.23628065 1\n C C6 1 0.53674011 0.65646954 0.85292253 1\n C C7 1 0.18775517 0.35492430 0.45240945 1\n C C8 1 0.24470337 0.23195922 1.09605954 1\n C C9 1 0.25079262 0.23505816 0.66963307 1\n C C10 1 0.96151011 0.80769272 0.91097708 1\n C C11 1 0.81071438 0.09946345 0.03338531 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.87839000\n_cell_length_b 4.23746000\n_cell_length_c 4.26789000\n_cell_angle_alpha 120.94273000\n_cell_angle_beta 69.10303000\n_cell_angle_gamma 110.36895000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.82025512\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17725678 0.11707157 0.14651494 1\n C C1 1 0.84437122 0.11843010 0.48138612 1\n C C2 1 0.51059011 0.78373824 0.47984828 1\n C C3 1 0.17770455 0.78509676 0.81471946 1\n C C4 1 0.84392345 0.45040490 0.81318161 1\n C C5 1 0.51103789 0.45176343 0.14805279 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.91685000\n_cell_length_b 3.32287000\n_cell_length_c 3.78591000\n_cell_angle_alpha 96.02109000\n_cell_angle_beta 91.83311000\n_cell_angle_gamma 105.81092000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.05397615\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69778751 0.79290744 0.36664413 1\n C C1 1 0.93626523 0.22306936 0.49861943 1\n C C2 1 0.34624578 -0.15473684 0.31129310 1\n C C3 1 0.08141669 0.41891958 0.18892572 1\n C C4 1 0.85842520 0.66005505 0.01918105 1\n C C5 1 0.67926196 0.47307244 0.65467504 1\n C C6 1 0.19025069 0.04453148 1.00733250 1\n C C7 1 0.29617534 0.14356799 0.64453404 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51197000\n_cell_length_b 4.11307000\n_cell_length_c 4.19048000\n_cell_angle_alpha 119.40457000\n_cell_angle_beta 107.62827000\n_cell_angle_gamma 89.94862000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.37281508\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41893351 0.39784415 0.25320399 1\n C C1 1 1.03256336 0.01014575 0.47725261 1\n C C2 1 0.22583749 0.68439967 0.86500255 1\n C C3 1 0.22580558 0.35434569 0.86521827 1\n C C4 1 0.41911446 0.02880655 0.25315633 1\n C C5 1 0.03234320 0.64059219 0.47682136 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.74144000\n_cell_length_b 4.67567000\n_cell_length_c 5.39080000\n_cell_angle_alpha 78.70868000\n_cell_angle_beta 120.29707000\n_cell_angle_gamma 89.06278000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.96388787\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19115189 0.79954469 0.93744909 1\n C C1 1 0.66237641 0.51450944 0.40884462 1\n C C2 1 0.38129333 0.98657371 0.12564138 1\n C C3 1 1.35275705 0.50962869 1.09880417 1\n C C4 1 0.67004617 0.82446972 0.41544513 1\n C C5 1 0.21940979 0.27653773 -0.03662152 1\n C C6 1 0.90142504 0.96090205 0.64764719 1\n C C7 1 0.90744662 0.27137128 0.65331086 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45867000\n_cell_length_b 3.39780000\n_cell_length_c 5.97554000\n_cell_angle_alpha 108.39511000\n_cell_angle_beta 78.19713000\n_cell_angle_gamma 68.63312000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.12883838\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69685745 0.72554343 0.16389480 1\n C C1 1 0.80114374 0.19281618 0.48567088 1\n C C2 1 0.32957030 0.26243676 0.35805548 1\n C C3 1 0.16882050 0.65485452 0.29100416 1\n C C4 1 0.55600599 0.40735160 0.76139501 1\n C C5 1 0.94110181 0.51238081 0.88805198 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48100000\n_cell_length_b 4.57956000\n_cell_length_c 5.36464000\n_cell_angle_alpha 52.92798000\n_cell_angle_beta 89.98459000\n_cell_angle_gamma 57.17023000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.69048308\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16232682 0.40597853 -0.03559312 1\n C C1 1 0.42533303 0.64294076 0.72736326 1\n C C2 1 0.01593913 1.05255861 0.72714513 1\n C C3 1 0.45391249 0.61452041 0.46049504 1\n C C4 1 0.72435347 0.84401673 0.23105698 1\n C C5 1 0.75293293 0.81559637 0.96418875 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43216000\n_cell_length_b 4.00515000\n_cell_length_c 4.63604000\n_cell_angle_alpha 84.23128000\n_cell_angle_beta 74.10254000\n_cell_angle_gamma 90.46048000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18338040\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44014675 0.35969697 0.46002910 1\n C C1 1 0.10610417 0.02378822 0.12860630 1\n C C2 1 0.55126208 0.13650272 0.23851163 1\n C C3 1 0.88523966 0.47221171 0.57022738 1\n C C4 1 0.77244488 0.69013499 0.79530048 1\n C C5 1 0.21799886 0.80394898 -0.09521020 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26535000\n_cell_length_b 4.31723000\n_cell_length_c 5.55089000\n_cell_angle_alpha 73.43820000\n_cell_angle_beta 98.52279000\n_cell_angle_gamma 102.15819000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.99819557\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52348810 -0.21698602 0.45800668 1\n C C1 1 0.54722129 0.57171983 0.69989836 1\n C C2 1 0.03160505 0.05245868 0.70002061 1\n C C3 1 0.78771223 0.29268127 0.21444138 1\n C C4 1 0.81694196 0.08042387 0.45665215 1\n C C5 1 0.46958452 0.12622459 1.06683694 1\n C C6 1 0.30486579 0.81222467 0.21436764 1\n C C7 1 0.34420899 0.25503803 0.81127810 1\n C C8 1 0.86531580 0.73856981 0.84752352 1\n C C9 1 0.99040025 0.60995048 0.10309901 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44874000\n_cell_length_b 4.75994000\n_cell_length_c 5.01324000\n_cell_angle_alpha 87.82131000\n_cell_angle_beta 91.99483000\n_cell_angle_gamma 97.75891000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.83078860\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86598772 0.69983909 0.55684265 1\n C C1 1 0.32566436 0.52573739 0.92787161 1\n C C2 1 0.29563252 0.28667921 0.74038436 1\n C C3 1 0.69368263 0.27895682 0.28874065 1\n C C4 1 0.91561613 0.80707055 0.26534635 1\n C C5 1 0.37696007 0.76846714 0.72589223 1\n C C6 1 0.47111275 -0.00954835 0.18109801 1\n C C7 1 -0.17230946 0.52914133 0.10253005 1\n C C8 1 0.38107825 0.02181507 0.88081119 1\n C C9 1 0.78660535 0.36426405 0.56367271 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39937000\n_cell_length_b 3.39950000\n_cell_length_c 4.78799000\n_cell_angle_alpha 77.36460000\n_cell_angle_beta 122.64162000\n_cell_angle_gamma 93.87923000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.37811795\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19312677 0.05123478 0.07034558 1\n C C1 1 0.54701238 0.40951079 0.06654971 1\n C C2 1 0.71974628 0.27177220 0.85692289 1\n C C3 1 0.77465238 0.59954422 0.62195292 1\n C C4 1 0.29355718 1.08124163 0.62142383 1\n C C5 1 0.30076225 0.81980359 0.40862339 1\n C C6 1 0.20023320 0.79205607 0.85651990 1\n C C7 1 0.94737337 0.46431313 0.41136237 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63529000\n_cell_length_b 3.94802000\n_cell_length_c 4.81684000\n_cell_angle_alpha 56.36714000\n_cell_angle_beta 67.83679000\n_cell_angle_gamma 102.35769000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.57168986\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48386091 -0.05085127 0.22053729 1\n C C1 1 0.10359201 0.94851731 0.22092338 1\n C C2 1 0.69796897 -0.05150916 0.41256231 1\n C C3 1 0.13717765 0.94681882 0.91317022 1\n C C4 1 0.54285580 0.94697856 0.72141562 1\n C C5 1 0.75708975 0.94651504 -0.08667402 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48232000\n_cell_length_b 3.84359000\n_cell_length_c 4.48999000\n_cell_angle_alpha 89.86725000\n_cell_angle_beta 56.41891000\n_cell_angle_gamma 89.99332000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.68927615\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10581907 0.74943359 0.28723209 1\n C C1 1 1.16082796 0.45476252 0.02077375 1\n C C2 1 0.89930084 0.04541790 0.78246138 1\n C C3 1 -0.10272293 0.45621231 0.78414894 1\n C C4 1 0.16287576 0.04395889 0.01907372 1\n C C5 1 0.16572263 0.75078509 0.51599702 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33023000\n_cell_length_b 3.33299000\n_cell_length_c 6.94028000\n_cell_angle_alpha 97.49153000\n_cell_angle_beta 111.23047000\n_cell_angle_gamma 89.17947000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.14823293\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07627138 0.46039151 0.30437197 1\n C C1 1 0.12976450 0.82568642 0.97741576 1\n C C2 1 0.67397495 0.39933673 0.62821958 1\n C C3 1 0.78850726 0.16257502 0.30280482 1\n C C4 1 0.74041769 1.02924296 0.49270081 1\n C C5 1 1.17348402 0.89683494 0.62941082 1\n C C6 1 1.10692375 0.59884712 0.76326112 1\n C C7 1 -0.07954897 0.57616404 0.08942706 1\n C C8 1 0.59545324 0.93354609 1.08841431 1\n C C9 1 0.76740794 0.17091578 0.96201876 1\n C C10 1 0.44124104 0.26091366 0.75842418 1\n C C11 1 0.40468980 0.69593742 0.49327221 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.66043000\n_cell_length_b 2.45669000\n_cell_length_c 6.37517000\n_cell_angle_alpha 89.98167000\n_cell_angle_beta 75.08018000\n_cell_angle_gamma 70.39730000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.95183692\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35698992 0.81487170 0.63899803 1\n C C1 1 0.90931453 0.53928770 -0.03928669 1\n C C2 1 0.15311847 0.91746133 -0.12543468 1\n C C3 1 0.35228086 0.31709737 0.15958290 1\n C C4 1 -0.09529197 0.54074430 0.21052455 1\n C C5 1 0.46162140 0.26312060 0.53436261 1\n C C6 1 0.66012371 0.16275175 0.29793059 1\n C C7 1 0.46133328 0.76406105 0.01350508 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42693000\n_cell_length_b 5.81213000\n_cell_length_c 4.22871000\n_cell_angle_alpha 133.38051000\n_cell_angle_beta 90.03657000\n_cell_angle_gamma 89.97369000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.35311353\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76382899 1.06759591 1.02930046 1\n C C1 1 0.26362916 0.56076317 0.60528582 1\n C C2 1 0.76353076 0.41762595 0.31914230 1\n C C3 1 0.76318274 0.47872359 0.03001193 1\n C C4 1 0.26386014 0.91068336 0.89349704 1\n C C5 1 0.26311960 0.50005682 -0.10546263 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43717000\n_cell_length_b 4.69020000\n_cell_length_c 4.68668000\n_cell_angle_alpha 104.53174000\n_cell_angle_beta 105.03973000\n_cell_angle_gamma 105.10223000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.94548956\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14012863 0.43285647 0.65247377 1\n C C1 1 1.00627791 0.64051732 0.17420251 1\n C C2 1 0.81640168 0.60968577 0.82960979 1\n C C3 1 0.93489926 0.07281460 0.59942891 1\n C C4 1 1.00529307 0.95353761 0.85956701 1\n C C5 1 -0.06341922 0.37967708 0.29257834 1\n C C6 1 0.27557310 0.16618973 0.18362016 1\n C C7 1 0.27513088 0.96432062 0.38649592 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43900000\n_cell_length_b 3.62306000\n_cell_length_c 10.07775000\n_cell_angle_alpha 73.62549000\n_cell_angle_beta 83.02254000\n_cell_angle_gamma 109.57539000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.17263151\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06989132 0.10752120 0.39054467 1\n C C1 1 0.29557504 0.54464146 0.37774960 1\n C C2 1 0.40214234 0.83911608 0.45771920 1\n C C3 1 0.15658431 0.11622106 0.23046928 1\n C C4 1 1.03922959 0.68472433 0.04029616 1\n C C5 1 0.53833880 0.48383779 0.84359932 1\n C C6 1 0.52588514 0.85019626 0.22861993 1\n C C7 1 0.68822036 0.62667127 0.68492991 1\n C C8 1 1.28326150 0.03924881 0.90869030 1\n C C9 1 0.25402787 0.68970303 0.61419010 1\n C C10 1 1.09484275 0.64517005 0.89347821 1\n C C11 1 0.44144507 0.58115166 0.13153302 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.56508000\n_cell_length_b 4.82413000\n_cell_length_c 3.63806000\n_cell_angle_alpha 67.61427000\n_cell_angle_beta 70.06929000\n_cell_angle_gamma 113.03263000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.53332319\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13370541 0.65788633 0.89712914 1\n C C1 1 0.13708562 0.65934688 0.27552425 1\n C C2 1 0.13652385 0.15901767 0.83483156 1\n C C3 1 1.13462689 0.96647294 0.24153071 1\n C C4 1 1.13777087 0.96805445 0.62004959 1\n C C5 1 0.13505386 0.46687734 0.68237674 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48688000\n_cell_length_b 4.83423000\n_cell_length_c 7.12587000\n_cell_angle_alpha 109.76594000\n_cell_angle_beta 69.53120000\n_cell_angle_gamma 120.96791000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.47053165\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54454593 0.84414012 0.19488650 1\n C C1 1 0.66867844 0.29255182 0.51736131 1\n C C2 1 0.36984836 0.92532478 0.44929753 1\n C C3 1 0.64735526 0.77405521 0.51996917 1\n C C4 1 0.26772183 0.27362600 0.90049655 1\n C C5 1 0.26675507 0.99473385 1.12362208 1\n C C6 1 0.54104170 1.04613079 0.89983485 1\n C C7 1 0.64529983 0.49523023 0.74302933 1\n C C8 1 0.37257467 0.72296228 0.74371005 1\n C C9 1 0.38097696 0.41919849 0.43175848 1\n C C10 1 0.53295603 0.34994569 0.21152412 1\n C C11 1 0.24510471 0.47674114 0.12613732 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34873000\n_cell_length_b 3.93064000\n_cell_length_c 5.68397000\n_cell_angle_alpha 60.01693000\n_cell_angle_beta 44.97638000\n_cell_angle_gamma 59.21416000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.24636894\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57742184 0.10588662 0.86067332 1\n C C1 1 0.55341823 0.50911732 0.67037386 1\n C C2 1 0.13889549 0.54421458 0.35901793 1\n C C3 1 0.51756417 0.16276086 0.36104414 1\n C C4 1 0.17498440 0.89060622 0.66841025 1\n C C5 1 0.11532007 -0.05251981 0.16882291 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48745000\n_cell_length_b 2.48776000\n_cell_length_c 6.57647000\n_cell_angle_alpha 112.24734000\n_cell_angle_beta 79.08480000\n_cell_angle_gamma 120.01523000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61544602\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14011074 0.80100399 0.47825629 1\n C C1 1 0.13910555 1.05121839 0.72849809 1\n C C2 1 0.80576103 0.80167604 0.14441145 1\n C C3 1 0.47235323 0.80081208 0.81144627 1\n C C4 1 0.47238555 0.05207583 0.06137356 1\n C C5 1 0.80673240 1.05095567 0.39464794 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52830000\n_cell_length_b 5.39931000\n_cell_length_c 4.29548000\n_cell_angle_alpha 120.97499000\n_cell_angle_beta 85.05377000\n_cell_angle_gamma 111.02239000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.57324949\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70693808 0.72456385 0.79525295 1\n C C1 1 0.78633209 -0.04868091 0.13338071 1\n C C2 1 0.74195381 0.28308488 0.76191189 1\n C C3 1 -0.07107547 0.75141653 0.46873405 1\n C C4 1 0.16598933 0.27337957 0.26292104 1\n C C5 1 0.56480574 0.92464592 0.46009661 1\n C C6 1 0.75195033 0.39291153 0.16687448 1\n C C7 1 0.32746999 0.40245692 0.66574408 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46259000\n_cell_length_b 4.24757000\n_cell_length_c 4.24750000\n_cell_angle_alpha 100.52538000\n_cell_angle_beta 89.97899000\n_cell_angle_gamma 90.01705000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.68138765\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50514113 1.09268214 0.66118249 1\n C C1 1 0.12413617 0.10657411 0.17307570 1\n C C2 1 0.62413382 -0.02938006 0.30920269 1\n C C3 1 0.37394764 0.45636875 0.65858429 1\n C C4 1 0.87395823 0.62004106 0.82239643 1\n C C5 1 0.24167861 0.45896466 0.29528850 1\n C C6 1 0.74193652 0.61791525 0.18672889 1\n C C7 1 1.00509339 0.98413299 0.82033582 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48181000\n_cell_length_b 3.68763000\n_cell_length_c 4.21889000\n_cell_angle_alpha 75.05230000\n_cell_angle_beta 89.94836000\n_cell_angle_gamma 70.36663000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97950102\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58763422 0.19599212 0.10112082 1\n C C1 1 0.36647739 0.64159752 0.89455197 1\n C C2 1 0.16612773 1.03875322 0.97067748 1\n C C3 1 0.84621615 0.68225031 0.67240706 1\n C C4 1 0.62186741 0.12807787 0.46610453 1\n C C5 1 0.04335031 0.28481367 0.59675533 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.97724000\n_cell_length_b 4.29710000\n_cell_length_c 7.14958000\n_cell_angle_alpha 79.78123000\n_cell_angle_beta 105.04721000\n_cell_angle_gamma 100.58228000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.01493482\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44547525 0.55118177 0.64447425 1\n C C1 1 0.99950889 0.81222659 0.92193918 1\n C C2 1 0.29053883 0.21798121 0.63476480 1\n C C3 1 0.35330614 0.76565094 0.47403262 1\n C C4 1 0.30075824 0.09178615 0.46895373 1\n C C5 1 0.32953157 0.18499137 0.13367363 1\n C C6 1 0.42034881 0.31368683 0.95138840 1\n C C7 1 0.30506400 0.31060710 0.29762156 1\n C C8 1 0.21632725 0.08577008 0.81973179 1\n C C9 1 0.25599572 0.63651288 0.29472394 1\n C C10 1 0.17155434 0.85172194 1.12494001 1\n C C11 1 0.62868367 0.58934574 0.84782870 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42989000\n_cell_length_b 5.74057000\n_cell_length_c 4.20692000\n_cell_angle_alpha 83.06933000\n_cell_angle_beta 90.16618000\n_cell_angle_gamma 78.81403000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.12581975\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03381638 0.72353487 0.77266580 1\n C C1 1 0.37034732 0.22363189 0.22784035 1\n C C2 1 -0.12965206 0.22476320 1.06090547 1\n C C3 1 0.96618299 0.72240356 0.43960068 1\n C C4 1 0.87034732 0.22363189 0.72784035 1\n C C5 1 0.46618299 0.72240356 -0.06039932 1\n C C6 1 0.46618362 0.72353487 0.27266580 1\n C C7 1 0.37034794 0.22476320 0.56090547 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47979000\n_cell_length_b 2.53735000\n_cell_length_c 6.25788000\n_cell_angle_alpha 113.21159000\n_cell_angle_beta 101.55109000\n_cell_angle_gamma 89.91391000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.32375691\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79521412 0.18820452 0.48111064 1\n C C1 1 0.45505533 0.99311195 0.79663810 1\n C C2 1 0.02625878 0.13662561 0.93970039 1\n C C3 1 0.71274591 0.53327010 0.32003801 1\n C C4 1 1.14181500 0.38987848 0.17767754 1\n C C5 1 0.37346056 0.33866434 0.63584162 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29633000\n_cell_length_b 3.30813000\n_cell_length_c 4.83222000\n_cell_angle_alpha 77.12806000\n_cell_angle_beta 77.13284000\n_cell_angle_gamma 79.75707000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.62193014\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20474323 0.76637927 0.12852518 1\n C C1 1 0.73704557 0.98868033 0.66971203 1\n C C2 1 0.41921374 0.67083508 0.84375856 1\n C C3 1 0.64886600 0.21036023 0.38424778 1\n C C4 1 0.32170153 0.53609077 0.38434749 1\n C C5 1 0.78260980 0.30783548 0.84371400 1\n C C6 1 0.87686951 0.09197171 0.12860092 1\n C C7 1 0.10005683 0.62625003 0.66969494 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49055000\n_cell_length_b 3.59224000\n_cell_length_c 4.35189000\n_cell_angle_alpha 84.31343000\n_cell_angle_beta 106.61211000\n_cell_angle_gamma 110.28318000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99624227\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55908249 0.56877883 0.34214904 1\n C C1 1 0.64085190 0.93857071 0.13635147 1\n C C2 1 0.74821369 0.56935429 0.71824573 1\n C C3 1 0.93007029 0.30919819 0.34244856 1\n C C4 1 0.11877976 0.30963560 0.71857432 1\n C C5 1 0.03580666 -0.06096752 -0.07580022 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45018000\n_cell_length_b 3.98357000\n_cell_length_c 4.54516000\n_cell_angle_alpha 92.30564000\n_cell_angle_beta 74.34309000\n_cell_angle_gamma 90.00205000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.67950180\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24102661 0.42732172 0.66910033 1\n C C1 1 0.08616615 0.29765793 -0.01836376 1\n C C2 1 0.55647549 0.11173318 0.04010093 1\n C C3 1 0.80892333 0.49071014 0.53243662 1\n C C4 1 0.49417196 0.81408089 1.16444962 1\n C C5 1 -0.03463425 0.62642174 0.22177485 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45594000\n_cell_length_b 6.12064000\n_cell_length_c 8.96926000\n_cell_angle_alpha 111.91199000\n_cell_angle_beta 97.84570000\n_cell_angle_gamma 101.57254000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 119.18269802\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10469156 -0.08679187 1.02067742 1\n C C1 1 0.44948996 0.85057942 0.77328269 1\n C C2 1 0.90904645 0.97733413 0.57236490 1\n C C3 1 1.38838311 0.45260619 0.06503658 1\n C C4 1 -0.22888788 -0.01196767 0.27838066 1\n C C5 1 0.54039329 0.28792189 0.52020897 1\n C C6 1 0.12820336 0.65890876 0.33027206 1\n C C7 1 0.11248545 0.51389880 0.43394622 1\n C C8 1 0.73549805 0.82334987 0.38086018 1\n C C9 1 0.51726179 0.14190679 0.62303757 1\n C C10 1 0.25113805 0.34673463 0.88816513 1\n C C11 1 0.54864766 0.88732781 0.93301325 1\n C C12 1 0.88169586 0.81380144 0.67560417 1\n C C13 1 0.96187584 0.51223187 0.14850946 1\n C C14 1 0.20401169 -0.04890299 0.18063206 1\n C C15 1 0.67883942 0.28763913 0.80485050 1\n C C16 1 -0.31036082 0.56067017 0.54077176 1\n C C17 1 -0.03623524 0.24115961 0.41346144 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48129000\n_cell_length_b 3.68804000\n_cell_length_c 4.21793000\n_cell_angle_alpha 75.04865000\n_cell_angle_beta 89.95458000\n_cell_angle_gamma 70.35825000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96505745\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80774488 0.68527994 0.44314339 1\n C C1 1 0.00914681 1.28774032 0.36727284 1\n C C2 1 0.58748391 0.13082405 0.23664231 1\n C C3 1 0.55174267 0.19902364 0.87170924 1\n C C4 1 1.13034859 0.04199527 0.74106913 1\n C C5 1 0.32821384 0.64460737 0.66544619 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56450000\n_cell_length_b 2.47974000\n_cell_length_c 5.72676000\n_cell_angle_alpha 102.46614000\n_cell_angle_beta 89.44943000\n_cell_angle_gamma 90.01980000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.55784516\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10397626 1.01370017 0.88416840 1\n C C1 1 0.11380154 0.27661154 0.40887955 1\n C C2 1 0.10398530 0.58559997 0.02851336 1\n C C3 1 0.61099730 0.35725828 0.56933327 1\n C C4 1 1.11271653 0.70341282 0.26381140 1\n C C5 1 0.60839447 -0.06565529 0.72355311 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48110000\n_cell_length_b 3.68921000\n_cell_length_c 4.21640000\n_cell_angle_alpha 75.21759000\n_cell_angle_beta 89.94405000\n_cell_angle_gamma 70.35996000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99295759\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94865307 0.27432241 0.60882549 1\n C C1 1 1.17068443 0.82892299 0.81520057 1\n C C2 1 -0.08867854 0.34575549 0.24354860 1\n C C3 1 0.37024148 0.43088884 0.73984822 1\n C C4 1 0.69013744 0.79062568 0.03742757 1\n C C5 1 0.48967162 1.18871868 0.11263216 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48123000\n_cell_length_b 3.69004000\n_cell_length_c 4.84212000\n_cell_angle_alpha 111.50939000\n_cell_angle_beta 104.80837000\n_cell_angle_gamma 109.68078000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01235610\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69831059 0.61572106 0.73000939 1\n C C1 1 0.68204738 0.37663659 0.93649051 1\n C C2 1 0.97238738 0.08883290 0.80527998 1\n C C3 1 1.01262787 0.67222086 0.30177972 1\n C C4 1 0.72131809 -0.04027237 0.43247807 1\n C C5 1 -0.00424511 0.43279205 0.50813863 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45606000\n_cell_length_b 3.66160000\n_cell_length_c 6.44158000\n_cell_angle_alpha 75.44915000\n_cell_angle_beta 101.03123000\n_cell_angle_gamma 109.52555000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.47986419\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56450650 0.54777105 0.48514238 1\n C C1 1 0.20301892 0.47863107 0.82931346 1\n C C2 1 0.66056377 0.50183923 0.72231449 1\n C C3 1 0.29532967 0.42760204 0.06659052 1\n C C4 1 0.14629527 -0.00296072 0.20264901 1\n C C5 1 0.93899625 0.38196144 0.39769696 1\n C C6 1 0.92190797 0.59348233 0.15368370 1\n C C7 1 0.71053306 0.97811086 0.34899217 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.66116000\n_cell_length_b 4.20797000\n_cell_length_c 4.20827000\n_cell_angle_alpha 60.00776000\n_cell_angle_beta 91.30132000\n_cell_angle_gamma 91.61257000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.79605138\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74656257 0.81809020 0.44817810 1\n C C1 1 0.74677534 0.81800134 -0.21842765 1\n C C2 1 0.74656277 0.15133191 0.11490455 1\n C C3 1 0.74677514 0.48475963 0.11484591 1\n C C4 1 0.74658883 0.48466561 0.44823773 1\n C C5 1 0.74674908 0.15142593 0.78151272 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48037000\n_cell_length_b 5.62769000\n_cell_length_c 4.24261000\n_cell_angle_alpha 97.82670000\n_cell_angle_beta 90.00089000\n_cell_angle_gamma 77.25814000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.19742205\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24357059 0.75933857 0.26706109 1\n C C1 1 0.28531455 0.67549118 0.59301726 1\n C C2 1 0.60270767 1.04435169 0.81758316 1\n C C3 1 0.54937352 0.14973858 0.50677170 1\n C C4 1 0.41808825 0.41197941 0.68298039 1\n C C5 1 0.91867408 0.41063245 0.90356624 1\n C C6 1 1.09405224 0.06164065 0.31977962 1\n C C7 1 -0.21261377 0.67227353 0.08016235 1\n C C8 1 0.05042893 0.14713200 -0.00569592 1\n C C9 1 0.73294763 0.77856946 0.76963192 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28369000\n_cell_length_b 4.63970000\n_cell_length_c 5.61441000\n_cell_angle_alpha 110.40293000\n_cell_angle_beta 107.00429000\n_cell_angle_gamma 90.05674000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.15896714\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62839230 0.90017115 0.55869581 1\n C C1 1 0.69800830 0.09919158 0.05198884 1\n C C2 1 0.72350327 0.57856045 0.49146908 1\n C C3 1 0.89351794 0.09069084 0.82898300 1\n C C4 1 0.35772847 1.06220395 0.43919067 1\n C C5 1 0.14709248 0.57985491 0.71881306 1\n C C6 1 0.25750402 0.92161010 0.93938376 1\n C C7 1 0.06065674 0.92219631 0.16616290 1\n C C8 1 0.89320685 0.41041790 0.82910356 1\n C C9 1 0.74922006 0.43815924 0.21814353 1\n C C10 1 0.47372664 0.40166766 0.60597892 1\n C C11 1 0.89920683 0.60048093 0.09881906 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48781000\n_cell_length_b 2.48780000\n_cell_length_c 6.08783000\n_cell_angle_alpha 89.97134000\n_cell_angle_beta 90.00312000\n_cell_angle_gamma 59.95632000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61627928\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42035406 0.46860702 0.77479554 1\n C C1 1 0.75388706 0.80206800 0.19075570 1\n C C2 1 0.08715881 0.13538215 0.10813448 1\n C C3 1 0.42004564 0.46949427 0.52408520 1\n C C4 1 0.08717061 0.13512502 0.85741189 1\n C C5 1 0.75328902 0.80291615 0.44146849 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54146000\n_cell_length_b 5.47394000\n_cell_length_c 5.83751000\n_cell_angle_alpha 117.46459000\n_cell_angle_beta 78.36698000\n_cell_angle_gamma 117.73431000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.77050453\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03297340 0.03774558 0.34033991 1\n C C1 1 0.38715891 0.88303793 0.17495737 1\n C C2 1 0.13149701 0.41757890 0.77129006 1\n C C3 1 0.85957883 0.35489358 0.17463155 1\n C C4 1 0.62928869 -0.10270479 0.73082325 1\n C C5 1 0.61944462 0.02952784 0.99565511 1\n C C6 1 0.12226804 0.55084901 0.03822103 1\n C C7 1 0.29494723 0.36570987 0.34010869 1\n C C8 1 0.89515140 0.10018808 0.61431276 1\n C C9 1 0.37253507 0.57800480 0.61406959 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43152000\n_cell_length_b 9.17784000\n_cell_length_c 7.52744000\n_cell_angle_alpha 107.11129000\n_cell_angle_beta 99.28059000\n_cell_angle_gamma 66.46977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 147.01373702\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48036609 0.41909577 0.43195369 1\n C C1 1 1.11238439 0.43056724 0.72478810 1\n C C2 1 0.64179283 0.50519559 1.01760846 1\n C C3 1 0.25877429 0.68052466 0.75728448 1\n C C4 1 0.18656045 -0.12602936 0.18801503 1\n C C5 1 0.77556517 0.84035876 0.26372359 1\n C C6 1 0.37582240 0.25305137 0.72189959 1\n C C7 1 1.09433737 0.26155132 0.18345359 1\n C C8 1 -0.06298443 0.78790253 0.43010652 1\n C C9 1 0.01419941 0.42729986 0.52346388 1\n C C10 1 0.85476243 0.98562446 0.87052185 1\n C C11 1 0.52261565 0.52275610 0.82145940 1\n C C12 1 1.25035868 0.03099863 0.80007141 1\n C C13 1 0.50592825 0.77050921 0.51640501 1\n C C14 1 0.31447173 0.10034621 0.13526470 1\n C C15 1 0.46213210 0.36250433 0.22471366 1\n C C16 1 0.22544226 0.47480648 0.09453319 1\n C C17 1 0.93785572 0.00118554 0.08094344 1\n C C18 1 1.00138993 0.17164154 0.72735008 1\n C C19 1 0.66856637 0.71552667 0.68031680 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.89951000\n_cell_length_b 3.63873000\n_cell_length_c 4.82119000\n_cell_angle_alpha 67.73875000\n_cell_angle_beta 81.90340000\n_cell_angle_gamma 69.21509000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.00999982\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56526712 0.95721209 0.28046156 1\n C C1 1 0.56383563 0.17096169 0.47315921 1\n C C2 1 0.56167054 0.23109801 -0.02611681 1\n C C3 1 0.56340983 0.01697122 0.78141682 1\n C C4 1 0.56582927 0.61051301 -0.02595989 1\n C C5 1 0.56177351 0.57735397 0.28061292 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44293000\n_cell_length_b 4.23796000\n_cell_length_c 8.64074000\n_cell_angle_alpha 86.79970000\n_cell_angle_beta 90.00487000\n_cell_angle_gamma 90.00847000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 89.31841020\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09664421 0.28884077 -0.01315141 1\n C C1 1 0.60227283 0.85323053 0.67661733 1\n C C2 1 0.10227590 0.69572358 0.67136145 1\n C C3 1 0.08968553 -0.10060847 0.22047823 1\n C C4 1 1.10073330 0.34698098 0.66045732 1\n C C5 1 0.59327354 0.38775447 0.23987654 1\n C C6 1 0.09314453 0.23960133 0.17114101 1\n C C7 1 0.09621707 0.63360577 -0.04620632 1\n C C8 1 0.59805215 0.32725589 0.41182719 1\n C C9 1 0.59616540 0.79289753 0.94896640 1\n C C10 1 1.09856445 0.32065081 0.48868509 1\n C C11 1 0.58963362 0.74005865 0.22715484 1\n C C12 1 0.60067510 0.18387693 0.72897287 1\n C C13 1 0.59725047 0.14239024 0.91631997 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49966000\n_cell_length_b 5.14745000\n_cell_length_c 4.26058000\n_cell_angle_alpha 118.96152000\n_cell_angle_beta 90.00745000\n_cell_angle_gamma 89.96425000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.96478661\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91190812 0.37337500 0.75371837 1\n C C1 1 0.41255095 0.82754135 0.84026862 1\n C C2 1 0.41156663 0.16796962 0.13482739 1\n C C3 1 0.91268188 0.70196036 0.91926646 1\n C C4 1 0.41202706 0.24778045 0.83275686 1\n C C5 1 0.41287726 0.90718593 0.53827744 1\n C C6 1 0.91273561 0.88125571 0.32785881 1\n C C7 1 0.91160748 0.19369977 0.34489206 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47481000\n_cell_length_b 4.93931000\n_cell_length_c 5.93796000\n_cell_angle_alpha 51.52498000\n_cell_angle_beta 51.51550000\n_cell_angle_gamma 60.34717000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.79081980\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05895893 0.44939017 0.86641632 1\n C C1 1 0.40109959 0.67943654 0.74052932 1\n C C2 1 0.56736048 0.26236172 0.24056065 1\n C C3 1 0.77589214 0.36633813 0.36649917 1\n C C4 1 0.40111026 0.17937933 0.74056025 1\n C C5 1 0.77594942 0.86631710 0.36648789 1\n C C6 1 0.56741993 0.76238800 0.24046512 1\n C C7 1 -0.05901699 0.94938169 0.86649907 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45354000\n_cell_length_b 4.17035000\n_cell_length_c 5.09579000\n_cell_angle_alpha 105.86415000\n_cell_angle_beta 103.93926000\n_cell_angle_gamma 90.00238000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.55645912\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62888252 0.64917161 0.50395054 1\n C C1 1 0.19419043 0.18476352 0.63134227 1\n C C2 1 0.89668443 0.57316452 1.02960467 1\n C C3 1 0.93337970 0.93905185 1.08843117 1\n C C4 1 0.46429010 0.46719436 0.16486155 1\n C C5 1 0.72326723 0.38781371 0.69048408 1\n C C6 1 0.44192930 0.10089625 1.10695311 1\n C C7 1 0.15830390 0.85219829 0.56393560 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44460000\n_cell_length_b 4.80490000\n_cell_length_c 5.49358000\n_cell_angle_alpha 109.51978000\n_cell_angle_beta 89.94683000\n_cell_angle_gamma 104.71675000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.57398852\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00685591 0.89971522 0.76638684 1\n C C1 1 0.69517185 0.27582854 0.10286332 1\n C C2 1 0.72738767 0.35105214 0.39111745 1\n C C3 1 0.26165743 0.40761951 0.01114639 1\n C C4 1 0.52196833 -0.07128528 0.94133670 1\n C C5 1 1.15143117 0.19981037 0.46472627 1\n C C6 1 0.43465370 0.75663234 1.12792888 1\n C C7 1 0.15849431 0.20831609 0.73321336 1\n C C8 1 -0.02070236 0.85147373 0.30621617 1\n C C9 1 0.89570710 0.68765575 0.49805533 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48320000\n_cell_length_b 6.21991000\n_cell_length_c 5.46616000\n_cell_angle_alpha 60.99571000\n_cell_angle_beta 90.01335000\n_cell_angle_gamma 101.51127000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.89225314\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70169145 0.74732175 0.28888148 1\n C C1 1 0.29158939 -0.07084486 0.51763409 1\n C C2 1 1.03443180 0.41409008 0.66248479 1\n C C3 1 0.71399046 0.77436337 0.55422634 1\n C C4 1 -0.15967510 0.02524036 0.08597786 1\n C C5 1 0.35698575 0.05922306 0.67891864 1\n C C6 1 0.52305610 0.39038818 0.07959386 1\n C C7 1 0.89119326 0.12968435 0.76453489 1\n C C8 1 0.38105304 1.10750175 0.18055260 1\n C C9 1 0.12373473 0.59198138 0.32536820 1\n C C10 1 0.05697009 0.46019722 0.16629407 1\n C C11 1 0.57471422 0.49581786 0.75780798 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58203000\n_cell_length_b 4.95707000\n_cell_length_c 5.79339000\n_cell_angle_alpha 81.56662000\n_cell_angle_beta 82.08904000\n_cell_angle_gamma 72.34033000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.55089298\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63229599 0.53066248 0.36787502 1\n C C1 1 0.30392929 0.36839733 0.02349163 1\n C C2 1 0.48471785 0.83698142 0.26017585 1\n C C3 1 0.66445259 0.48998114 0.62785702 1\n C C4 1 0.94457293 -0.03982536 0.17182529 1\n C C5 1 0.25777180 0.60573945 0.83214812 1\n C C6 1 0.71721173 0.72926847 0.74390097 1\n C C7 1 0.89938446 0.19631818 0.97988128 1\n C C8 1 0.24271553 0.38577094 0.28436373 1\n C C9 1 0.53817873 1.07569966 0.37591372 1\n C C10 1 0.57051630 0.03489859 0.63590907 1\n C C11 1 0.95945761 0.18110471 0.71871310 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48784000\n_cell_length_b 4.30482000\n_cell_length_c 3.51735000\n_cell_angle_alpha 114.09761000\n_cell_angle_beta 90.01167000\n_cell_angle_gamma 106.78320000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62019997\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39452566 0.20844252 0.65913946 1\n C C1 1 0.56117838 0.54177419 0.57605440 1\n C C2 1 0.22785102 0.87511123 0.24272636 1\n C C3 1 -0.27214499 0.87512121 0.99247898 1\n C C4 1 0.89450774 0.20845288 0.90939391 1\n C C5 1 0.06118238 0.54178417 0.32580702 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51314000\n_cell_length_b 4.49846000\n_cell_length_c 7.00971000\n_cell_angle_alpha 98.56604000\n_cell_angle_beta 111.49875000\n_cell_angle_gamma 89.97469000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.78418270\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38778749 0.56104981 0.73001494 1\n C C1 1 0.52638959 0.40115160 0.37513276 1\n C C2 1 0.38835077 0.93518182 0.73084535 1\n C C3 1 0.16775052 0.37455801 0.51351903 1\n C C4 1 0.17058993 1.01871490 0.51780441 1\n C C5 1 0.53915582 0.92305686 0.39040745 1\n C C6 1 0.21173752 0.66222084 0.05164787 1\n C C7 1 0.20351973 -0.01899012 0.04311692 1\n C C8 1 0.41097512 0.63796313 0.25940993 1\n C C9 1 0.00713577 0.45906543 0.84642488 1\n C C10 1 0.00417133 0.08910443 0.84319203 1\n C C11 1 0.38869689 0.12217489 0.23934525 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42522000\n_cell_length_b 4.21258000\n_cell_length_c 4.21329000\n_cell_angle_alpha 89.50720000\n_cell_angle_beta 89.87743000\n_cell_angle_gamma 90.07134000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.04307112\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33192305 0.92460950 0.85701444 1\n C C1 1 0.33064353 0.27229212 0.91612743 1\n C C2 1 0.33251533 -0.13715838 0.50987508 1\n C C3 1 0.83057960 0.42792947 0.94482103 1\n C C4 1 0.83276675 0.83446967 0.35418133 1\n C C5 1 0.83131174 0.77515842 1.00657889 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44368000\n_cell_length_b 4.24366000\n_cell_length_c 6.35619000\n_cell_angle_alpha 64.24076000\n_cell_angle_beta 78.90747000\n_cell_angle_gamma 73.26296000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.67664395\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91003311 0.40976607 0.56793648 1\n C C1 1 0.38964951 0.59425097 0.42088394 1\n C C2 1 0.53335982 0.54192294 0.19028212 1\n C C3 1 0.21586323 0.97542512 0.38916757 1\n C C4 1 0.60548123 0.83681003 0.75837828 1\n C C5 1 -0.22209943 0.44593275 0.80195916 1\n C C6 1 0.46966473 0.88060951 0.98093437 1\n C C7 1 0.29626732 0.26177302 0.94912795 1\n C C8 1 1.08484090 0.01884019 0.61170579 1\n C C9 1 0.15272618 0.31406470 0.17954454 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46075000\n_cell_length_b 4.68958000\n_cell_length_c 7.31862000\n_cell_angle_alpha 94.40784000\n_cell_angle_beta 93.66585000\n_cell_angle_gamma 66.18147000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 76.98417799\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01655004 0.51501811 0.03241611 1\n C C1 1 0.03806113 0.18126124 0.25560882 1\n C C2 1 0.56375788 0.29800190 0.53997066 1\n C C3 1 0.47484237 0.22850856 0.13657323 1\n C C4 1 0.75942715 0.93384255 0.57192551 1\n C C5 1 1.07684322 0.40053324 0.82885327 1\n C C6 1 0.32797360 0.84831553 0.68205400 1\n C C7 1 0.82249321 0.73773798 0.38940201 1\n C C8 1 0.28738254 0.05023146 0.85671180 1\n C C9 1 -0.14903447 1.00330995 0.97579462 1\n C C10 1 0.30784857 0.71687756 0.07978829 1\n C C11 1 0.24689007 0.83017519 0.28331468 1\n C C12 1 0.99540419 0.38389184 0.43000451 1\n C C13 1 0.50109299 0.49262670 0.72273429 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.34898000\n_cell_length_b 2.49087000\n_cell_length_c 3.59339000\n_cell_angle_alpha 110.28108000\n_cell_angle_beta 84.30957000\n_cell_angle_gamma 106.63204000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98537281\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20661787 0.25847308 0.60346734 1\n C C1 1 0.00078822 0.96995147 0.23381746 1\n C C2 1 0.58270638 1.07575340 0.86329491 1\n C C3 1 0.20624331 0.88738040 0.86274987 1\n C C4 1 0.78845721 0.36460115 0.23425900 1\n C C5 1 0.58288820 0.44657051 0.60408811 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44525000\n_cell_length_b 3.64591000\n_cell_length_c 8.43329000\n_cell_angle_alpha 98.76001000\n_cell_angle_beta 89.97347000\n_cell_angle_gamma 109.65892000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.87170257\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23970611 0.99434566 0.91351792 1\n C C1 1 1.00577206 0.52072812 0.44573247 1\n C C2 1 0.72985590 0.97605096 0.83221701 1\n C C3 1 0.79478236 0.09976497 0.34377730 1\n C C4 1 -0.21948653 0.06460330 0.16764097 1\n C C5 1 0.20820130 0.92742179 0.40932157 1\n C C6 1 0.50946289 0.52824583 0.55422541 1\n C C7 1 0.71645008 0.94798512 0.65632708 1\n C C8 1 1.30351818 0.12135300 0.59104124 1\n C C9 1 0.26783535 0.04027816 0.08617135 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45116000\n_cell_length_b 4.53950000\n_cell_length_c 4.63535000\n_cell_angle_alpha 85.59042000\n_cell_angle_beta 58.08475000\n_cell_angle_gamma 74.39758000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.03276823\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07622503 0.88933805 0.51587421 1\n C C1 1 0.90196682 0.19685401 0.38260121 1\n C C2 1 0.38508653 0.63823903 0.17959907 1\n C C3 1 1.04454230 0.69454971 -0.00815596 1\n C C4 1 0.40472526 0.33023502 0.31375334 1\n C C5 1 0.26670702 0.83121898 0.70263713 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48768000\n_cell_length_b 4.85359000\n_cell_length_c 7.42218000\n_cell_angle_alpha 80.48709000\n_cell_angle_beta 75.97572000\n_cell_angle_gamma 73.59879000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.95478360\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21652792 0.21712030 0.23708584 1\n C C1 1 0.63543677 -0.00912373 0.52187870 1\n C C2 1 -0.00075962 0.14182661 0.59531684 1\n C C3 1 0.79415131 1.02575454 0.31097537 1\n C C4 1 0.11578609 0.70411219 0.76008137 1\n C C5 1 0.90620573 0.44534397 0.52312738 1\n C C6 1 0.05204289 0.48609816 0.33185689 1\n C C7 1 0.37268451 0.74902190 1.03455329 1\n C C8 1 0.32598260 0.04860132 0.91745749 1\n C C9 1 0.09183338 0.74995231 0.23309182 1\n C C10 1 0.19531730 0.28497731 0.03526831 1\n C C11 1 0.71276452 0.68603413 0.63850015 1\n C C12 1 1.03115322 0.58787183 -0.03656789 1\n C C13 1 -0.07648412 0.02565146 0.79633273 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48734000\n_cell_length_b 2.48805000\n_cell_length_c 8.24191000\n_cell_angle_alpha 89.98872000\n_cell_angle_beta 98.67457000\n_cell_angle_gamma 120.01914000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.48978343\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51515853 0.54033804 0.13611911 1\n C C1 1 0.88967260 0.72726261 0.69835489 1\n C C2 1 1.01543084 0.29123773 0.38613260 1\n C C3 1 0.38984263 0.47718788 0.94834725 1\n C C4 1 0.51545684 0.04073203 0.63613761 1\n C C5 1 1.01567573 0.79060687 0.88613420 1\n C C6 1 0.88933652 1.22699059 0.19833855 1\n C C7 1 0.38967001 -0.02210496 0.44835539 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45182000\n_cell_length_b 4.91757000\n_cell_length_c 4.85815000\n_cell_angle_alpha 89.98360000\n_cell_angle_beta 89.99281000\n_cell_angle_gamma 90.00407000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.57469443\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69202154 0.57797035 0.89567403 1\n C C1 1 0.69190569 0.40699602 0.63492069 1\n C C2 1 0.69181804 0.38804088 0.13493314 1\n C C3 1 0.19194349 0.20392711 0.63523801 1\n C C4 1 1.19196346 1.04023812 0.38093739 1\n C C5 1 0.19178668 0.21018444 0.13522718 1\n C C6 1 0.19203304 0.74999700 0.30640716 1\n C C7 1 0.69181344 0.57798668 0.37333106 1\n C C8 1 0.19214521 0.04026940 0.88950449 1\n C C9 1 0.19201592 0.74997159 -0.03646376 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48293000\n_cell_length_b 3.62921000\n_cell_length_c 6.82802000\n_cell_angle_alpha 90.00899000\n_cell_angle_beta 111.33959000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.30945006\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39950654 0.77363824 0.69715408 1\n C C1 1 0.89952696 0.53416926 0.69726835 1\n C C2 1 0.08303771 0.27368120 0.87850874 1\n C C3 1 1.01670028 0.77356407 0.30861173 1\n C C4 1 0.33322477 0.27348693 0.12670719 1\n C C5 1 0.70822380 0.27909255 0.50296632 1\n C C6 1 0.83315464 0.03310719 0.12658820 1\n C C7 1 0.51669183 0.53387493 0.30862245 1\n C C8 1 0.58301469 1.03348884 0.87840788 1\n C C9 1 0.20822847 1.02969418 0.50292945 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45083000\n_cell_length_b 6.45436000\n_cell_length_c 6.05158000\n_cell_angle_alpha 94.28260000\n_cell_angle_beta 66.11387000\n_cell_angle_gamma 100.95312000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.93353797\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78318065 0.73238412 1.01760390 1\n C C1 1 1.06365733 0.06149513 0.39577153 1\n C C2 1 0.63063072 0.16730217 0.38656689 1\n C C3 1 0.44938787 0.82904017 0.90008259 1\n C C4 1 1.29439979 0.50382982 0.38998396 1\n C C5 1 0.12437504 0.38912327 1.00286914 1\n C C6 1 -0.48808638 0.73221276 0.28776266 1\n C C7 1 0.82058353 0.38888515 0.30613780 1\n C C8 1 0.76800770 0.50401093 0.91739234 1\n C C9 1 0.64028704 0.72222293 0.65306772 1\n C C10 1 0.55465635 0.06214135 0.91117973 1\n C C11 1 0.06826898 0.57971245 0.65346204 1\n C C12 1 0.94183565 0.82857658 0.40552566 1\n C C13 1 0.09344772 0.16798858 0.92083143 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53727000\n_cell_length_b 4.25994000\n_cell_length_c 5.29513000\n_cell_angle_alpha 113.73073000\n_cell_angle_beta 104.43428000\n_cell_angle_gamma 90.00429000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.41359206\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85844062 0.60776722 0.35428772 1\n C C1 1 0.02227908 0.74256386 0.67421269 1\n C C2 1 1.02237780 0.11494736 0.67429247 1\n C C3 1 0.74650104 0.30852752 0.10946674 1\n C C4 1 0.74644745 0.98463110 0.10949711 1\n C C5 1 0.60054075 0.32060235 0.82209440 1\n C C6 1 0.60045321 0.68497738 0.82211020 1\n C C7 1 0.85857366 0.93031430 0.35436277 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48735000\n_cell_length_b 4.06134000\n_cell_length_c 5.29377000\n_cell_angle_alpha 121.54448000\n_cell_angle_beta 89.99528000\n_cell_angle_gamma 89.99434000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.57538108\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21740591 0.53823890 0.20284374 1\n C C1 1 0.71755783 0.38303684 0.50565243 1\n C C2 1 0.71731728 0.88211334 0.97318480 1\n C C3 1 1.21756374 0.29617052 0.61974410 1\n C C4 1 0.21746724 0.65213372 0.96829864 1\n C C5 1 0.71750481 0.30857516 0.19827021 1\n C C6 1 0.21744620 0.89367898 0.55044234 1\n C C7 1 0.71743018 0.80746673 0.66515604 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42972000\n_cell_length_b 3.02200000\n_cell_length_c 5.98118000\n_cell_angle_alpha 95.96401000\n_cell_angle_beta 77.48396000\n_cell_angle_gamma 91.63046000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.64095488\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48943958 0.75469361 0.47669809 1\n C C1 1 0.15610625 0.42136028 0.14336476 1\n C C2 1 0.26781985 1.19613696 -0.07826269 1\n C C3 1 -0.06551348 0.86280362 0.58840398 1\n C C4 1 0.82277291 1.08802694 0.81003142 1\n C C5 1 0.60115319 0.52947029 0.25507064 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43196000\n_cell_length_b 4.58836000\n_cell_length_c 4.03122000\n_cell_angle_alpha 96.10912000\n_cell_angle_beta 91.20934000\n_cell_angle_gamma 75.54959000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.31204599\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59746338 1.11637345 0.42924632 1\n C C1 1 0.04228932 0.22766786 0.31747722 1\n C C2 1 0.37597604 0.55960054 0.98206039 1\n C C3 1 0.70868755 0.89489777 0.65149392 1\n C C4 1 0.93116409 0.44837874 1.09416021 1\n C C5 1 0.26368802 0.78393384 -0.23595286 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47823000\n_cell_length_b 2.47792000\n_cell_length_c 6.31216000\n_cell_angle_alpha 101.33762000\n_cell_angle_beta 89.98553000\n_cell_angle_gamma 120.03468000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68167600\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23452665 0.14584640 0.95402530 1\n C C1 1 -0.07008655 0.53616120 0.03772961 1\n C C2 1 0.70739970 1.09061921 0.36782055 1\n C C3 1 0.15068668 0.97776816 0.70285561 1\n C C4 1 1.01308705 0.70233283 0.28493238 1\n C C5 1 0.79000107 0.25583911 0.61869974 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49687000\n_cell_length_b 4.48249000\n_cell_length_c 8.56417000\n_cell_angle_alpha 73.37942000\n_cell_angle_beta 86.43692000\n_cell_angle_gamma 86.85915000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.60093258\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69298107 0.64464949 0.06161386 1\n C C1 1 0.30741170 0.81420555 0.61705915 1\n C C2 1 0.06877064 0.16006125 0.05074344 1\n C C3 1 0.31600784 0.46341421 0.60460314 1\n C C4 1 0.87648218 0.77933594 0.38692773 1\n C C5 1 0.19639024 0.44111473 0.12649241 1\n C C6 1 0.25163518 0.22386690 0.76439527 1\n C C7 1 0.30992154 0.25042503 0.30246768 1\n C C8 1 0.40397309 0.90563841 0.29126543 1\n C C9 1 -0.16645920 0.46853413 0.49929008 1\n C C10 1 0.80858443 0.25040547 0.40628635 1\n C C11 1 0.81650805 0.68745065 0.87540695 1\n C C12 1 0.81686004 0.93622063 0.51986180 1\n C C13 1 0.30698325 0.86230749 0.78680657 1\n C C14 1 0.00682943 0.34180543 0.88005112 1\n C C15 1 0.55868921 0.95283417 0.10937622 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.64732000\n_cell_length_b 3.45673000\n_cell_length_c 6.73639000\n_cell_angle_alpha 89.32369000\n_cell_angle_beta 89.99529000\n_cell_angle_gamma 58.10614000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.10195741\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52275532 0.53407548 0.86551188 1\n C C1 1 0.99163324 0.32767050 0.78090502 1\n C C2 1 0.51163593 0.85335267 1.02854920 1\n C C3 1 0.22118548 0.86953632 0.19075721 1\n C C4 1 0.29817163 0.86952291 0.69078596 1\n C C5 1 0.77916752 0.34434966 0.44306275 1\n C C6 1 0.33238002 0.53412718 0.36543065 1\n C C7 1 1.02390746 0.85354120 0.52855367 1\n C C8 1 0.76711671 0.66339861 0.60618499 1\n C C9 1 1.07007976 0.32751302 0.28091124 1\n C C10 1 -0.04144832 0.66322500 0.10626409 1\n C C11 1 0.26581706 0.34419506 0.94306655 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46655000\n_cell_length_b 9.08426000\n_cell_length_c 6.83967000\n_cell_angle_alpha 112.20170000\n_cell_angle_beta 78.48834000\n_cell_angle_gamma 117.42962000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 125.87998892\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25347682 0.35899178 0.53658435 1\n C C1 1 1.16236734 0.90154974 0.63159729 1\n C C2 1 0.60029748 0.80426122 0.25123978 1\n C C3 1 -0.26222702 0.52236236 1.04746818 1\n C C4 1 0.43583812 0.09140286 0.34086779 1\n C C5 1 0.62422662 0.68493876 0.84340960 1\n C C6 1 0.49410533 0.40641104 0.18237240 1\n C C7 1 0.54516879 0.49532919 0.40985543 1\n C C8 1 0.93621447 0.87771949 0.86560858 1\n C C9 1 1.06492398 0.60877761 0.72151675 1\n C C10 1 0.87732754 0.25798168 0.86297884 1\n C C11 1 0.56647156 0.36378945 0.84904884 1\n C C12 1 0.95440775 0.15742619 0.47465548 1\n C C13 1 0.60901430 0.12854591 0.14353596 1\n C C14 1 0.26509993 0.89865034 0.21609946 1\n C C15 1 0.65672873 0.09729410 0.66880066 1\n C C16 1 0.83501262 0.28899509 0.10125078 1\n C C17 1 0.53600624 0.80083358 0.49512469 1\n C C18 1 0.47025934 0.94821326 1.00009259 1\n C C19 1 0.41636608 0.63324300 0.05876414 1\n C C20 1 0.77671408 0.41710949 0.66532221 1\n C C21 1 0.20015258 0.61021085 0.49588511 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42481000\n_cell_length_b 4.20621000\n_cell_length_c 4.20931000\n_cell_angle_alpha 88.87385000\n_cell_angle_beta 90.02260000\n_cell_angle_gamma 89.97917000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.92354866\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36286403 0.44523677 -0.04485563 1\n C C1 1 0.86337194 -0.05740055 0.86374510 1\n C C2 1 0.36340229 0.09797522 0.89440427 1\n C C3 1 0.86284099 0.59525513 0.80460970 1\n C C4 1 0.86267406 0.53458619 0.45760164 1\n C C5 1 0.36267568 0.50741905 0.30225013 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44674000\n_cell_length_b 3.64531000\n_cell_length_c 8.18691000\n_cell_angle_alpha 91.94349000\n_cell_angle_beta 81.39062000\n_cell_angle_gamma 70.35780000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.71736840\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34871814 0.53488083 0.64000150 1\n C C1 1 0.48686527 0.81100741 0.07448788 1\n C C2 1 0.84775075 0.02537974 0.14042496 1\n C C3 1 0.69621035 0.16062373 0.31789517 1\n C C4 1 0.71972567 0.38120626 0.03500631 1\n C C5 1 0.11293120 1.24998362 0.39621204 1\n C C6 1 0.54257074 -0.10787562 0.88384839 1\n C C7 1 -0.06667189 0.44439216 0.56196873 1\n C C8 1 0.30480772 0.32199306 0.92407999 1\n C C9 1 0.18461245 0.67728481 0.81728213 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45270000\n_cell_length_b 4.06152000\n_cell_length_c 4.56284000\n_cell_angle_alpha 86.94935000\n_cell_angle_beta 74.40019000\n_cell_angle_gamma 89.98279000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.71256532\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05315843 0.48417531 0.47470363 1\n C C1 1 0.78774812 0.66986884 0.00730478 1\n C C2 1 0.89077770 0.36474211 0.80118521 1\n C C3 1 0.31674950 0.86038158 0.94842372 1\n C C4 1 0.62487191 0.53906894 0.33180337 1\n C C5 1 0.36247064 0.17461262 0.85966139 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45018000\n_cell_length_b 4.17964000\n_cell_length_c 6.06372000\n_cell_angle_alpha 76.51401000\n_cell_angle_beta 54.80005000\n_cell_angle_gamma 90.35368000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.56518546\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74303669 0.18723897 0.93173026 1\n C C1 1 0.54390254 0.46808696 0.39722811 1\n C C2 1 0.93127520 -0.05969243 0.47460476 1\n C C3 1 0.33122788 0.39045783 0.87282942 1\n C C4 1 0.46448739 0.10233127 0.45453995 1\n C C5 1 0.05349143 0.65119980 1.05632379 1\n C C6 1 0.64124545 0.85448444 0.99673778 1\n C C7 1 0.84823851 0.57468757 0.53158424 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48488000\n_cell_length_b 4.08719000\n_cell_length_c 4.68146000\n_cell_angle_alpha 96.67230000\n_cell_angle_beta 105.46130000\n_cell_angle_gamma 90.00641000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.49070831\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31424475 0.15271855 0.35364275 1\n C C1 1 0.64151939 0.44615706 0.01052722 1\n C C2 1 1.02999104 0.91494205 -0.21940617 1\n C C3 1 0.14267099 0.22088038 0.01287590 1\n C C4 1 0.37262530 0.50855338 0.46911956 1\n C C5 1 0.79922376 0.62672942 0.32418781 1\n C C6 1 0.53097705 0.68796684 0.78272689 1\n C C7 1 0.85826462 0.98223432 0.43957363 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45021000\n_cell_length_b 4.38553000\n_cell_length_c 5.68394000\n_cell_angle_alpha 97.55773000\n_cell_angle_beta 90.00720000\n_cell_angle_gamma 106.27348000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.07634406\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.18897206 0.77506707 0.33646660 1\n C C1 1 0.55387789 0.26075680 0.50425764 1\n C C2 1 1.04517451 0.24062520 0.88424685 1\n C C3 1 0.96863141 0.08764700 0.09954785 1\n C C4 1 0.48317927 0.11776269 0.73831974 1\n C C5 1 0.73462719 0.62137392 0.55138465 1\n C C6 1 0.29678640 0.74412971 0.69742352 1\n C C7 1 0.22621749 0.60189948 0.93174014 1\n C C8 1 -0.01081964 0.13182231 0.36535147 1\n C C9 1 0.79147406 0.73109143 0.07075914 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48833000\n_cell_length_b 2.48809000\n_cell_length_c 6.57783000\n_cell_angle_alpha 79.06354000\n_cell_angle_beta 112.26085000\n_cell_angle_gamma 120.02712000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.63099796\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53669755 0.34868472 0.17081549 1\n C C1 1 0.45345642 0.01536394 0.75429668 1\n C C2 1 0.20336421 0.01535139 0.50414882 1\n C C3 1 -0.21321025 0.34869728 0.42096334 1\n C C4 1 0.12012309 0.68203061 1.08763001 1\n C C5 1 0.87003088 0.68201806 0.83748216 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48095000\n_cell_length_b 3.84178000\n_cell_length_c 3.74389000\n_cell_angle_alpha 89.92684000\n_cell_angle_beta 89.97543000\n_cell_angle_gamma 89.97673000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.68396901\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39266410 0.50470108 0.73128207 1\n C C1 1 0.39270362 0.79939147 -0.00236396 1\n C C2 1 0.39280250 0.20989037 0.99842593 1\n C C3 1 0.89284364 0.50421689 0.50219045 1\n C C4 1 0.89263982 0.20934949 0.23570815 1\n C C5 1 -0.10745358 0.79883780 0.23495336 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43707000\n_cell_length_b 4.68988000\n_cell_length_c 4.68937000\n_cell_angle_alpha 75.48559000\n_cell_angle_beta 74.92419000\n_cell_angle_gamma 105.11690000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.95598542\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41306127 0.47968018 0.56841660 1\n C C1 1 -0.24743381 0.57275218 0.98395534 1\n C C2 1 0.86774181 0.03520959 0.21547345 1\n C C3 1 0.54482191 0.21265780 0.03798674 1\n C C4 1 0.68226699 0.69157248 0.24452374 1\n C C5 1 0.41357341 0.68227956 0.77077818 1\n C C6 1 0.68196584 0.00617430 0.55890071 1\n C C7 1 0.75161359 0.26651301 0.67802255 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43263000\n_cell_length_b 4.20255000\n_cell_length_c 9.10091000\n_cell_angle_alpha 68.76995000\n_cell_angle_beta 83.24385000\n_cell_angle_gamma 90.03048000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.03076837\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04145207 1.06033991 0.31446488 1\n C C1 1 0.54144173 0.56037635 0.31446280 1\n C C2 1 0.62794681 0.51831488 -0.01904061 1\n C C3 1 0.87576869 0.78079341 0.64873584 1\n C C4 1 0.04108373 0.39312330 0.31454036 1\n C C5 1 1.12792946 0.01832188 0.98096082 1\n C C6 1 0.54107393 0.89314604 0.31453335 1\n C C7 1 0.87546014 0.44792682 0.64868292 1\n C C8 1 0.37541101 0.94796271 0.64868693 1\n C C9 1 0.37571591 0.28073860 0.64874338 1\n C C10 1 0.62767542 0.85052176 0.98170733 1\n C C11 1 0.12765941 0.35048115 0.98170730 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.67234000\n_cell_length_b 2.45683000\n_cell_length_c 6.28097000\n_cell_angle_alpha 78.61876000\n_cell_angle_beta 75.18851000\n_cell_angle_gamma 89.85241000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.03353168\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44004120 0.27720195 0.61411894 1\n C C1 1 0.66189924 0.51612877 0.13451660 1\n C C2 1 0.60871168 -0.04465392 0.25566717 1\n C C3 1 0.50946095 0.84255088 0.48286746 1\n C C4 1 0.82931247 0.19580429 0.77492398 1\n C C5 1 0.75978917 0.62915983 0.90696475 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47692000\n_cell_length_b 4.14376000\n_cell_length_c 7.07840000\n_cell_angle_alpha 121.17039000\n_cell_angle_beta 100.04103000\n_cell_angle_gamma 89.99741000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.85861094\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88696357 0.62920778 0.13486553 1\n C C1 1 0.96686337 0.48973801 0.29498442 1\n C C2 1 0.23055365 0.05267119 0.81608969 1\n C C3 1 0.38832057 0.85106113 0.13727807 1\n C C4 1 0.71607009 0.53413695 0.78610115 1\n C C5 1 -0.23664926 0.28741494 0.88091656 1\n C C6 1 1.11069275 0.71583785 0.56773138 1\n C C7 1 0.27169876 0.77599358 0.89651163 1\n C C8 1 0.60637353 0.49565803 0.55876599 1\n C C9 1 0.46756248 0.27169686 0.29634998 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42621000\n_cell_length_b 4.23146000\n_cell_length_c 5.79924000\n_cell_angle_alpha 46.75709000\n_cell_angle_beta 89.92490000\n_cell_angle_gamma 90.00785000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.37026499\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89659127 0.65591394 0.26514946 1\n C C1 1 0.39626241 0.23068940 0.77229334 1\n C C2 1 -0.10361106 0.36699694 0.20410361 1\n C C3 1 0.39643390 0.23063359 0.18328371 1\n C C4 1 0.89648816 0.36695842 0.61523252 1\n C C5 1 0.39684522 0.94115372 0.12241706 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.16940000\n_cell_length_b 5.23414000\n_cell_length_c 6.11287000\n_cell_angle_alpha 130.28149000\n_cell_angle_beta 72.84696000\n_cell_angle_gamma 92.67104000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.46170253\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79953597 0.78701305 0.97141652 1\n C C1 1 1.16056939 0.71520031 0.53039410 1\n C C2 1 0.30670041 0.54936274 0.21600493 1\n C C3 1 0.31058030 1.02892222 0.69679620 1\n C C4 1 0.55942980 0.75831473 0.18596160 1\n C C5 1 -0.09003890 0.58456754 0.65691147 1\n C C6 1 0.19917144 0.23167736 1.01133972 1\n C C7 1 0.55599011 0.05587425 0.48166594 1\n C C8 1 -0.04739346 1.09975102 0.13725752 1\n C C9 1 0.80543415 0.26593489 0.45187171 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43059000\n_cell_length_b 3.04820000\n_cell_length_c 10.34119000\n_cell_angle_alpha 86.31621000\n_cell_angle_beta 92.05474000\n_cell_angle_gamma 73.32011000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.12342359\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22822259 0.63123765 0.76061705 1\n C C1 1 0.03261143 0.02798349 0.36042245 1\n C C2 1 0.82741140 0.43200274 0.96065247 1\n C C3 1 0.89532102 0.29959079 0.09405542 1\n C C4 1 0.43036932 0.22976010 0.16052538 1\n C C5 1 0.29406680 0.49977241 0.89409173 1\n C C6 1 0.63133026 0.82883640 0.56047366 1\n C C7 1 0.09890246 -0.10398281 0.49387971 1\n C C8 1 0.69617648 0.69767604 0.69398695 1\n C C9 1 0.49850373 0.09696248 0.29391429 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38240000\n_cell_length_b 3.38060000\n_cell_length_c 6.66350000\n_cell_angle_alpha 104.74821000\n_cell_angle_beta 104.84128000\n_cell_angle_gamma 91.42596000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.89405517\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70288826 0.81330649 0.08012550 1\n C C1 1 0.53517925 0.96568697 0.57624085 1\n C C2 1 0.34903730 0.77718001 0.71199228 1\n C C3 1 0.24365851 0.17752569 0.85209915 1\n C C4 1 0.77055863 0.73602138 0.43368931 1\n C C5 1 0.14514475 0.92708703 0.19897182 1\n C C6 1 0.00484193 0.47277094 0.56225010 1\n C C7 1 0.38161004 0.16296055 0.08854280 1\n C C8 1 0.57788656 0.53978857 0.85487361 1\n C C9 1 0.13437942 0.07122188 0.43637660 1\n C C10 1 0.49517021 0.60570347 0.20779144 1\n C C11 1 0.84224733 0.30830523 0.72699244 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.77789000\n_cell_length_b 3.63856000\n_cell_length_c 4.81644000\n_cell_angle_alpha 67.65733000\n_cell_angle_beta 79.93082000\n_cell_angle_gamma 92.84189000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.97258726\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75239440 0.54997642 0.24811590 1\n C C1 1 0.75579772 0.58687508 0.93989621 1\n C C2 1 -0.24729805 0.93160800 0.24824438 1\n C C3 1 0.75555717 0.20487154 -0.05982030 1\n C C4 1 0.75312854 0.14528211 0.43960631 1\n C C5 1 0.75507281 0.99160055 0.74861149 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47574000\n_cell_length_b 4.24844000\n_cell_length_c 3.72306000\n_cell_angle_alpha 64.06933000\n_cell_angle_beta 90.01351000\n_cell_angle_gamma 90.00918000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.21686139\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.29290681 0.64416554 0.60418893 1\n C C1 1 0.20702623 0.86682193 0.58488473 1\n C C2 1 0.20710429 0.86655371 0.99314180 1\n C C3 1 0.70712654 0.64386650 0.19612190 1\n C C4 1 0.70707294 0.36606193 1.03873583 1\n C C5 1 0.20706381 0.14486229 0.14981972 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68312000\n_cell_length_b 3.26557000\n_cell_length_c 5.18188000\n_cell_angle_alpha 71.68109000\n_cell_angle_beta 61.37856000\n_cell_angle_gamma 63.75169000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.65057285\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93996795 0.44444627 0.25738362 1\n C C1 1 0.81038698 0.77137088 0.85907374 1\n C C2 1 0.43925514 0.00835879 0.75702548 1\n C C3 1 0.00515283 0.26085230 -0.00644788 1\n C C4 1 0.31114653 0.20791929 0.35881082 1\n C C5 1 0.74571276 0.95502324 0.12244337 1\n C C6 1 0.24539429 0.82640679 0.62204350 1\n C C7 1 0.50515522 0.38984953 0.49419675 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42361000\n_cell_length_b 6.42221000\n_cell_length_c 10.73157000\n_cell_angle_alpha 90.25474000\n_cell_angle_beta 101.46520000\n_cell_angle_gamma 86.86504000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 163.45455117\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19640929 0.77799471 0.57535086 1\n C C1 1 0.79204440 0.92393690 0.72268192 1\n C C2 1 -0.16303704 0.52205080 0.72777250 1\n C C3 1 0.37927711 0.73601882 0.24585722 1\n C C4 1 0.01531856 0.53162991 0.86605900 1\n C C5 1 0.21797336 0.22227206 0.64251851 1\n C C6 1 0.48945280 0.07920786 1.04604478 1\n C C7 1 0.57532565 0.54589931 -0.06741169 1\n C C8 1 0.41257854 1.01354460 0.91874589 1\n C C9 1 0.26001208 0.65543374 0.12164451 1\n C C10 1 0.73136447 0.32290308 0.66540014 1\n C C11 1 0.22224707 0.99410187 0.64883410 1\n C C12 1 0.77031682 0.71250277 0.65606219 1\n C C13 1 0.20084452 0.47918811 0.42389818 1\n C C14 1 1.10872549 0.18365796 0.23460406 1\n C C15 1 0.64634188 0.23409249 0.29387467 1\n C C16 1 1.03391443 0.11112960 1.10962925 1\n C C17 1 0.69161638 0.38190866 0.39177399 1\n C C18 1 0.94039435 0.75770979 0.31265377 1\n C C19 1 0.12092985 0.70467158 0.44785933 1\n C C20 1 0.87064876 0.97640519 0.85726307 1\n C C21 1 0.70664944 0.61085730 0.06082186 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.18769000\n_cell_length_b 3.31615000\n_cell_length_c 3.28093000\n_cell_angle_alpha 100.20609000\n_cell_angle_beta 114.77763000\n_cell_angle_gamma 95.72219000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.47042653\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26786037 0.58406142 0.77329814 1\n C C1 1 0.55309943 0.80289493 0.14981967 1\n C C2 1 0.09386306 0.26400345 0.91774313 1\n C C3 1 0.26783038 0.22133712 0.40990535 1\n C C4 1 0.80952607 0.68465040 0.17807943 1\n C C5 1 0.80891210 0.35725570 -0.14887657 1\n C C6 1 0.09455257 -0.09779083 0.55516893 1\n C C7 1 0.55320811 0.13047531 0.47591712 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48126000\n_cell_length_b 3.68980000\n_cell_length_c 4.84354000\n_cell_angle_alpha 122.65826000\n_cell_angle_beta 75.16620000\n_cell_angle_gamma 109.66347000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00127202\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46214197 0.90262830 0.62141801 1\n C C1 1 1.00597382 0.48462313 0.11737353 1\n C C2 1 0.26473777 0.42916892 0.54602648 1\n C C3 1 0.58431605 0.77200242 0.24827564 1\n C C4 1 0.78395423 0.24578683 0.32387980 1\n C C5 1 0.04068387 0.19032499 0.75241175 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46836000\n_cell_length_b 4.25069000\n_cell_length_c 8.46245000\n_cell_angle_alpha 81.86827000\n_cell_angle_beta 115.61924000\n_cell_angle_gamma 92.16401000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.22860754\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41461769 0.37801141 0.81378035 1\n C C1 1 0.24327129 0.63977068 0.35145137 1\n C C2 1 1.01038700 -0.14194251 0.89664467 1\n C C3 1 0.46471929 0.08211560 0.51983977 1\n C C4 1 1.37870809 1.01049997 0.80427339 1\n C C5 1 0.19537352 0.98597597 0.33613756 1\n C C6 1 0.13014006 0.55368551 0.62389598 1\n C C7 1 0.48123071 0.44843914 0.52586708 1\n C C8 1 0.06158471 0.48260210 0.90652579 1\n C C9 1 0.10364725 -0.06997591 0.61578582 1\n C C10 1 0.43033468 0.40372939 0.11195752 1\n C C11 1 0.15590460 -0.12060090 0.08163828 1\n C C12 1 0.50841406 1.07748115 0.21116069 1\n C C13 1 1.04694786 0.57329291 0.17072824 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25240000\n_cell_length_b 3.63029000\n_cell_length_c 3.28543000\n_cell_angle_alpha 104.58323000\n_cell_angle_beta 99.19806000\n_cell_angle_gamma 75.68535000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.17871018\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26454428 1.06647864 0.35703020 1\n C C1 1 1.11419170 0.30219710 0.78225200 1\n C C2 1 0.90276403 0.06539614 -0.00454618 1\n C C3 1 0.84666084 0.68387320 0.72942344 1\n C C4 1 0.53121480 0.68491108 0.41071826 1\n C C5 1 0.47570386 0.30319874 0.14315119 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63288000\n_cell_length_b 3.17720000\n_cell_length_c 4.41189000\n_cell_angle_alpha 77.03714000\n_cell_angle_beta 97.95765000\n_cell_angle_gamma 67.61849000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.44909640\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54099213 1.09994001 0.69481675 1\n C C1 1 0.32628397 0.90882694 0.88572389 1\n C C2 1 0.88785208 0.40621954 0.38551608 1\n C C3 1 0.92309134 0.09893687 0.69583001 1\n C C4 1 0.26959579 0.40589268 0.38658330 1\n C C5 1 0.48442188 0.59691806 0.19573367 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42838000\n_cell_length_b 2.98544000\n_cell_length_c 6.86034000\n_cell_angle_alpha 120.49740000\n_cell_angle_beta 94.29769000\n_cell_angle_gamma 96.88383000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.00692608\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66431657 0.15911499 0.69071828 1\n C C1 1 0.33099609 0.82586597 1.02403669 1\n C C2 1 0.99760885 0.49220963 0.35742670 1\n C C3 1 0.55261308 0.71349661 0.46926070 1\n C C4 1 0.88598054 0.04701646 0.13588403 1\n C C5 1 0.21933536 0.38052143 0.80252791 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47353000\n_cell_length_b 3.26131000\n_cell_length_c 9.06176000\n_cell_angle_alpha 113.58821000\n_cell_angle_beta 74.14062000\n_cell_angle_gamma 112.33732000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.32926010\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18258268 0.35625166 0.20414040 1\n C C1 1 0.94366568 0.81852478 0.67507833 1\n C C2 1 0.80149287 1.07916717 0.94631388 1\n C C3 1 0.25411975 0.17642282 0.04270820 1\n C C4 1 0.49554915 0.71725160 0.57178879 1\n C C5 1 0.05367638 0.30849761 0.80906318 1\n C C6 1 0.38266712 0.22647435 0.43784573 1\n C C7 1 0.74410865 -0.05146686 0.43746203 1\n C C8 1 0.69342354 0.58723981 0.80942188 1\n C C9 1 0.63515248 0.45565916 0.30057927 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51994000\n_cell_length_b 3.31778000\n_cell_length_c 6.09063000\n_cell_angle_alpha 89.98717000\n_cell_angle_beta 90.03400000\n_cell_angle_gamma 90.01684000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.12871399\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69403395 0.56569732 0.70837415 1\n C C1 1 0.49801796 0.89896389 0.20834594 1\n C C2 1 0.84640148 0.73114121 0.32352573 1\n C C3 1 0.19389828 0.56538878 0.20836029 1\n C C4 1 0.19416569 0.39932032 -0.02366173 1\n C C5 1 0.84677931 0.23141927 0.85990019 1\n C C6 1 0.34665341 0.73157245 0.82352185 1\n C C7 1 0.99782257 0.06549893 0.47627751 1\n C C8 1 0.49816924 0.06579765 0.97632680 1\n C C9 1 0.34643642 0.23107367 0.35992960 1\n C C10 1 0.69386963 0.39907810 0.47640115 1\n C C11 1 -0.00182964 0.89920332 0.70830661 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49122000\n_cell_length_b 3.25627000\n_cell_length_c 10.70397000\n_cell_angle_alpha 95.58011000\n_cell_angle_beta 96.72562000\n_cell_angle_gamma 67.72081000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 79.66438879\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49482276 0.89929688 0.88615492 1\n C C1 1 0.62810209 -0.04152189 0.20410055 1\n C C2 1 0.35452102 0.27584571 0.98257990 1\n C C3 1 0.13356210 0.61539177 0.88687653 1\n C C4 1 0.26773902 0.67421094 0.20477242 1\n C C5 1 0.02685161 0.34072955 0.38631567 1\n C C6 1 0.48953240 0.34050893 0.31253004 1\n C C7 1 0.40750547 0.29742245 0.10832418 1\n C C8 1 0.27391201 0.23255058 0.77857621 1\n C C9 1 1.10889420 0.30136965 0.51169044 1\n C C10 1 0.73626467 1.23329518 0.70492941 1\n C C11 1 0.65310445 0.27897154 0.57994222 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47458000\n_cell_length_b 4.27969000\n_cell_length_c 4.80580000\n_cell_angle_alpha 116.51642000\n_cell_angle_beta 104.93518000\n_cell_angle_gamma 90.00233000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61144137\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61307916 0.14576175 0.51134924 1\n C C1 1 1.11302580 0.64573022 0.51130917 1\n C C2 1 0.04944177 0.24904301 0.38530508 1\n C C3 1 -0.13685878 1.06268307 0.01132126 1\n C C4 1 0.36311323 0.56272063 1.01135707 1\n C C5 1 0.79942907 0.33297711 0.88535503 1\n C C6 1 0.29943967 0.83293881 0.88530535 1\n C C7 1 0.54941409 0.74907180 0.38532120 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27714000\n_cell_length_b 4.23348000\n_cell_length_c 4.23773000\n_cell_angle_alpha 119.84691000\n_cell_angle_beta 124.00924000\n_cell_angle_gamma 95.24987000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.24965379\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93203187 0.54669337 0.42737771 1\n C C1 1 1.10132727 0.96273321 0.22515698 1\n C C2 1 0.26962750 0.33412559 -0.02219771 1\n C C3 1 0.26997607 0.69513083 0.33915687 1\n C C4 1 0.10068067 0.27909100 0.54137760 1\n C C5 1 -0.06761956 -0.09230139 0.78873229 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39956000\n_cell_length_b 4.68614000\n_cell_length_c 4.58254000\n_cell_angle_alpha 75.37296000\n_cell_angle_beta 89.33198000\n_cell_angle_gamma 134.35319000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.60451037\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67714088 0.21528682 0.42547554 1\n C C1 1 0.95686806 0.64967789 0.22014273 1\n C C2 1 -0.06346591 0.32887905 0.90080580 1\n C C3 1 1.08415835 0.28835736 0.61486305 1\n C C4 1 -0.05559775 0.62712564 0.90047308 1\n C C5 1 0.60237077 0.98621598 0.22007676 1\n C C6 1 0.68921113 0.72739724 0.40099409 1\n C C7 1 1.08241448 0.95368232 0.61461625 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42573000\n_cell_length_b 4.21603000\n_cell_length_c 5.96242000\n_cell_angle_alpha 135.01561000\n_cell_angle_beta 90.05816000\n_cell_angle_gamma 89.97185000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.10574138\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00177425 0.57476475 0.87976482 1\n C C1 1 0.00177019 0.75959605 0.47199445 1\n C C2 1 1.00180237 0.16702723 0.81989921 1\n C C3 1 0.50163504 0.57564709 0.31613954 1\n C C4 1 0.50220667 0.16698762 0.96841708 1\n C C5 1 0.50176689 0.75874826 0.90808080 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.11253000\n_cell_length_b 2.42936000\n_cell_length_c 6.76479000\n_cell_angle_alpha 96.95417000\n_cell_angle_beta 59.07866000\n_cell_angle_gamma 86.31547000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.07570538\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00517467 -0.08128400 0.36272642 1\n C C1 1 0.11754463 0.14068563 0.80790824 1\n C C2 1 0.45234463 0.80780350 1.14181129 1\n C C3 1 0.67517969 0.25243588 1.03021922 1\n C C4 1 0.33932619 0.58533778 0.69663482 1\n C C5 1 0.78273569 0.47428720 0.47456212 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44316000\n_cell_length_b 4.76715000\n_cell_length_c 5.79649000\n_cell_angle_alpha 81.20671000\n_cell_angle_beta 102.23333000\n_cell_angle_gamma 90.00164000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.16610177\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35980936 -0.09436313 0.56225846 1\n C C1 1 1.13162418 0.28831050 0.10490410 1\n C C2 1 0.11038324 0.60697021 0.05913878 1\n C C3 1 0.69448914 0.18234493 0.22942124 1\n C C4 1 0.58297636 0.74435483 1.00650987 1\n C C5 1 -0.00249729 0.18610975 0.84250249 1\n C C6 1 0.37897684 0.58699135 0.60787983 1\n C C7 1 0.48901461 1.00839027 0.82479300 1\n C C8 1 0.79763169 0.01375174 0.43814555 1\n C C9 1 0.90431918 0.44879574 0.66010677 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45077000\n_cell_length_b 3.40954000\n_cell_length_c 5.62058000\n_cell_angle_alpha 111.75976000\n_cell_angle_beta 77.43457000\n_cell_angle_gamma 111.00934000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.52485897\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12568319 0.68843302 0.53676194 1\n C C1 1 0.25580645 0.41679188 1.00385710 1\n C C2 1 0.62153089 0.55628679 0.41356709 1\n C C3 1 0.64442702 0.32716426 0.13650684 1\n C C4 1 0.10299595 0.91859043 0.81302398 1\n C C5 1 0.49169390 0.82994633 0.94622664 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48157000\n_cell_length_b 4.83989000\n_cell_length_c 4.89679000\n_cell_angle_alpha 135.49880000\n_cell_angle_beta 120.47039000\n_cell_angle_gamma 75.12432000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98985243\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96969339 0.63329485 0.80571919 1\n C C1 1 0.98575211 0.07905982 0.04490663 1\n C C2 1 0.01035490 0.72132030 0.38958831 1\n C C3 1 0.28441935 0.11884687 0.86281529 1\n C C4 1 0.26105572 0.47658569 0.51823450 1\n C C5 1 0.30059124 0.56455667 0.10187139 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48098000\n_cell_length_b 4.21646000\n_cell_length_c 3.68957000\n_cell_angle_alpha 104.65796000\n_cell_angle_beta 109.63732000\n_cell_angle_gamma 90.02292000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01353948\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08476435 0.22910808 0.06514292 1\n C C1 1 0.13665721 0.43544724 0.50996492 1\n C C2 1 0.87899759 0.86359246 -0.00748214 1\n C C3 1 0.33710980 0.36018466 0.90822763 1\n C C4 1 0.45731471 0.73249690 0.14923854 1\n C C5 1 0.65580974 0.65746917 0.54729533 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.81423000\n_cell_length_b 4.56850000\n_cell_length_c 4.88845000\n_cell_angle_alpha 101.52022000\n_cell_angle_beta 102.30898000\n_cell_angle_gamma 110.77468000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 74.19495506\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96400768 0.35605005 0.23587744 1\n C C1 1 0.34479968 0.60160320 0.37322071 1\n C C2 1 0.47477663 0.35654220 0.75544732 1\n C C3 1 0.45559024 0.84909283 0.23766279 1\n C C4 1 -0.03357203 0.84945558 0.75720695 1\n C C5 1 0.09703858 0.10440016 0.63164654 1\n C C6 1 0.58484013 0.60396869 0.61977071 1\n C C7 1 0.11837830 0.75501745 0.99542654 1\n C C8 1 0.83259428 0.10154149 0.36209267 1\n C C9 1 0.81317632 0.44951166 0.99632233 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.57835000\n_cell_length_b 3.35006000\n_cell_length_c 3.40723000\n_cell_angle_alpha 92.07185000\n_cell_angle_beta 89.24763000\n_cell_angle_gamma 111.46126000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.60405231\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74155021 0.55986159 0.86365061 1\n C C1 1 0.74129536 0.85836730 0.15075721 1\n C C2 1 0.45666852 0.89907199 0.34283314 1\n C C3 1 0.45651891 0.23360061 0.67547219 1\n C C4 1 0.26713690 0.97142037 1.00939670 1\n C C5 1 0.06141606 0.53681865 0.85466931 1\n C C6 1 0.24196461 0.45895159 0.50904894 1\n C C7 1 1.06136212 0.20022921 0.16236331 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.32249000\n_cell_length_b 4.40708000\n_cell_length_c 4.15623000\n_cell_angle_alpha 88.60835000\n_cell_angle_beta 89.80283000\n_cell_angle_gamma 67.36624000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.05357709\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18426418 0.62577014 0.77217426 1\n C C1 1 1.01901659 -0.05837726 0.62534030 1\n C C2 1 0.57666379 0.01775545 -0.00896984 1\n C C3 1 0.74108550 0.70113429 1.13691635 1\n C C4 1 0.50019967 0.46117304 0.62548337 1\n C C5 1 0.70309909 0.14452268 0.73587298 1\n C C6 1 0.05740139 0.49881100 1.02651638 1\n C C7 1 0.23129732 -0.02942210 0.38087706 1\n C C8 1 0.26063515 0.18267360 0.13723219 1\n C C9 1 0.52803760 0.67349997 0.38124725 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46110000\n_cell_length_b 3.35609000\n_cell_length_c 4.48574000\n_cell_angle_alpha 111.95482000\n_cell_angle_beta 95.37018000\n_cell_angle_gamma 75.51979000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.27218923\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10651954 0.92112107 0.93346319 1\n C C1 1 0.68798904 0.40099601 0.16697939 1\n C C2 1 0.18777341 0.50655473 0.37759548 1\n C C3 1 0.97477374 -0.01350804 0.61065969 1\n C C4 1 0.47486707 0.64762468 0.93353859 1\n C C5 1 0.39353169 0.26001905 0.61091095 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51478000\n_cell_length_b 4.18817000\n_cell_length_c 4.18796000\n_cell_angle_alpha 109.78456000\n_cell_angle_beta 107.46833000\n_cell_angle_gamma 107.46837000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.40314118\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35258928 0.54031996 0.91808956 1\n C C1 1 0.50228424 0.49625886 0.26237787 1\n C C2 1 -0.01692791 0.17127903 0.54874007 1\n C C3 1 -0.01683601 0.78286777 0.93680532 1\n C C4 1 0.83346903 0.82692887 0.59251701 1\n C C5 1 0.35268118 0.15190870 0.30615481 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42854000\n_cell_length_b 3.04156000\n_cell_length_c 6.00303000\n_cell_angle_alpha 96.33907000\n_cell_angle_beta 96.10943000\n_cell_angle_gamma 101.25564000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.84877760\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28688875 0.67300063 -0.02125554 1\n C C1 1 0.39658034 -0.10498922 0.20019592 1\n C C2 1 0.72991913 0.56163029 0.86686789 1\n C C3 1 0.62022755 1.33962014 0.64541643 1\n C C4 1 0.06324946 0.22828741 0.53353497 1\n C C5 1 0.95355842 0.00634351 0.31207739 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43726000\n_cell_length_b 5.35988000\n_cell_length_c 10.43752000\n_cell_angle_alpha 60.10613000\n_cell_angle_beta 92.19957000\n_cell_angle_gamma 97.55220000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 117.12463168\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93455206 0.84670751 0.33902112 1\n C C1 1 0.57698965 0.29347751 0.16743496 1\n C C2 1 0.79222983 1.01449607 0.75728448 1\n C C3 1 0.22011888 0.82218461 0.78757700 1\n C C4 1 0.43152566 0.01714026 0.48155772 1\n C C5 1 0.62911571 0.49461914 0.01713905 1\n C C6 1 0.46505866 0.46204924 0.57493974 1\n C C7 1 0.15054108 0.59484366 -0.05525229 1\n C C8 1 0.92008403 0.27691848 0.59304605 1\n C C9 1 0.94574581 0.12600468 0.50203259 1\n C C10 1 0.57979657 0.54448788 0.69215064 1\n C C11 1 0.35194659 0.00146132 0.97037721 1\n C C12 1 0.84637846 1.06177312 0.89100571 1\n C C13 1 0.36066136 0.85718909 0.12839462 1\n C C14 1 0.04530873 0.16571402 0.23259526 1\n C C15 1 0.12065860 0.63009801 0.72379409 1\n C C16 1 0.86477103 0.80585952 1.20563699 1\n C C17 1 0.43164690 0.77863608 0.43427508 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48329000\n_cell_length_b 3.82170000\n_cell_length_c 6.92052000\n_cell_angle_alpha 131.76792000\n_cell_angle_beta 79.74934000\n_cell_angle_gamma 108.94282000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.26497996\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50767767 0.22555462 0.41223287 1\n C C1 1 0.93364981 0.69231987 1.02681014 1\n C C2 1 0.13546015 0.15301790 0.08399304 1\n C C3 1 0.38540058 0.43323316 0.86176469 1\n C C4 1 0.56045510 0.61966943 0.69858363 1\n C C5 1 0.68367056 0.41207403 0.24896088 1\n C C6 1 0.89546503 0.89700191 0.30632047 1\n C C7 1 1.17312800 -0.05190421 0.80441678 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.27888000\n_cell_length_b 4.30905000\n_cell_length_c 6.05980000\n_cell_angle_alpha 91.40900000\n_cell_angle_beta 63.20447000\n_cell_angle_gamma 81.11494000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 97.97186952\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19973446 1.03597777 0.32373358 1\n C C1 1 0.86286863 -0.08016266 0.35677774 1\n C C2 1 0.19850914 0.70396311 0.65877189 1\n C C3 1 0.20144090 0.70621610 0.91374250 1\n C C4 1 0.25075981 0.38552829 0.99564804 1\n C C5 1 0.85093171 0.58918515 0.43632569 1\n C C6 1 0.87983136 0.26332931 0.75215859 1\n C C7 1 0.85723555 0.87552451 1.11656468 1\n C C8 1 0.52119875 0.47963082 0.48514666 1\n C C9 1 0.14956567 0.35722042 0.24244706 1\n C C10 1 0.53818619 0.82272704 0.88079711 1\n C C11 1 0.20255408 0.03841287 0.57880777 1\n C C12 1 0.53466962 0.15283161 0.54291362 1\n C C13 1 0.54988222 0.15375357 0.80181222 1\n C C14 1 0.86617216 0.59013588 0.69481069 1\n C C15 1 0.54398707 0.86659621 0.12079987 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.00486000\n_cell_length_b 3.63705000\n_cell_length_c 4.60642000\n_cell_angle_alpha 66.48433000\n_cell_angle_beta 75.34037000\n_cell_angle_gamma 89.79596000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.38901518\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39276813 0.65905547 0.58763223 1\n C C1 1 0.20280223 0.87249475 0.77944476 1\n C C2 1 0.89151970 0.71919796 0.08728907 1\n C C3 1 0.69980571 0.31359429 0.27889677 1\n C C4 1 0.69931891 -0.06750937 0.27889588 1\n C C5 1 0.39203462 0.27834430 0.58763860 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48716000\n_cell_length_b 2.48717000\n_cell_length_c 6.08999000\n_cell_angle_alpha 89.97722000\n_cell_angle_beta 90.01822000\n_cell_angle_gamma 120.01822000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61944771\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14790034 0.74353603 0.01799278 1\n C C1 1 0.48130912 0.41038403 0.68465709 1\n C C2 1 0.81542012 0.07717932 0.35132685 1\n C C3 1 0.48195764 0.41047730 0.43455711 1\n C C4 1 0.81454136 0.07684410 0.10122210 1\n C C5 1 0.14779931 0.74364972 0.76788497 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42498000\n_cell_length_b 4.80276000\n_cell_length_c 6.22762000\n_cell_angle_alpha 66.94947000\n_cell_angle_beta 79.10555000\n_cell_angle_gamma 59.86638000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.71771824\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25667980 0.72794658 0.27027793 1\n C C1 1 1.26376980 0.18450792 0.34448933 1\n C C2 1 0.37769121 0.94555004 0.59087513 1\n C C3 1 0.91231784 0.55719114 0.30136279 1\n C C4 1 -0.21031922 0.33991014 0.97948955 1\n C C5 1 0.19365202 0.48504262 0.88093154 1\n C C6 1 0.90447900 0.10114890 0.22607223 1\n C C7 1 0.97414286 0.79997937 0.68909810 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48354000\n_cell_length_b 3.79014000\n_cell_length_c 5.92342000\n_cell_angle_alpha 81.84595000\n_cell_angle_beta 102.12829000\n_cell_angle_gamma 89.94672000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.93411151\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06243223 0.26538395 0.93908207 1\n C C1 1 0.30444755 0.37184825 0.42444339 1\n C C2 1 0.96911198 0.59417823 0.75349380 1\n C C3 1 -0.02583115 1.00428200 0.76372192 1\n C C4 1 0.39701346 1.04067658 0.60995631 1\n C C5 1 0.39188951 0.63110653 0.59984268 1\n C C6 1 0.73633287 0.36499561 0.28789259 1\n C C7 1 0.63118375 0.27424745 0.07557794 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48789000\n_cell_length_b 4.30505000\n_cell_length_c 3.51756000\n_cell_angle_alpha 65.89577000\n_cell_angle_beta 90.01370000\n_cell_angle_gamma 73.19927000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61880668\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39331315 0.12652653 -0.02421298 1\n C C1 1 0.56004875 0.79304351 0.39275498 1\n C C2 1 0.05997982 0.79319319 0.64245369 1\n C C3 1 0.72664649 0.45985986 0.30912036 1\n C C4 1 -0.10661792 0.12637684 0.72608831 1\n C C5 1 0.22671541 0.45971017 1.05942164 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50392000\n_cell_length_b 3.29778000\n_cell_length_c 6.54639000\n_cell_angle_alpha 94.18911000\n_cell_angle_beta 78.89224000\n_cell_angle_gamma 112.21164000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.10721098\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21857945 0.20698225 0.15198055 1\n C C1 1 0.11917284 0.20733211 0.35975891 1\n C C2 1 0.47715609 0.56488482 0.99423324 1\n C C3 1 0.38506137 0.20698083 0.82180850 1\n C C4 1 0.85914698 0.84886380 0.51744878 1\n C C5 1 -0.04816393 0.20738889 0.69102230 1\n C C6 1 1.11693992 0.84840109 -0.00584798 1\n C C7 1 0.21925478 0.56509062 0.51758440 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47257000\n_cell_length_b 5.82449000\n_cell_length_c 3.23862000\n_cell_angle_alpha 61.41267000\n_cell_angle_beta 67.72322000\n_cell_angle_gamma 77.91492000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 37.87561823\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18612492 0.45213708 0.56230209 1\n C C1 1 0.68464934 0.29826910 0.71818491 1\n C C2 1 0.34758793 0.66990356 0.01896136 1\n C C3 1 0.64799709 0.04650248 0.03697446 1\n C C4 1 0.14576173 -0.10718713 0.19427479 1\n C C5 1 0.98419489 0.67497240 0.73763329 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45516000\n_cell_length_b 4.19319000\n_cell_length_c 5.10042000\n_cell_angle_alpha 72.37054000\n_cell_angle_beta 75.92037000\n_cell_angle_gamma 89.98186000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.38608084\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73236916 0.65415110 0.49975612 1\n C C1 1 0.50168563 0.73915548 0.97966879 1\n C C2 1 0.76913969 0.02067819 0.44025547 1\n C C3 1 0.94417219 0.20366413 1.09404322 1\n C C4 1 0.22752774 0.49408228 0.51183365 1\n C C5 1 0.47482054 0.40710603 1.03150671 1\n C C6 1 0.03301876 0.94279046 0.91792106 1\n C C7 1 1.20269489 1.12757812 0.57201168 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46048000\n_cell_length_b 3.39759000\n_cell_length_c 5.31464000\n_cell_angle_alpha 95.86457000\n_cell_angle_beta 90.01905000\n_cell_angle_gamma 111.11898000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.19475112\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99965298 0.44052829 0.42067155 1\n C C1 1 0.82618499 0.09355851 0.61465893 1\n C C2 1 0.40260214 0.24597372 0.29329953 1\n C C3 1 0.22836213 0.89847758 0.48851745 1\n C C4 1 -0.13766677 0.15923494 0.89062233 1\n C C5 1 0.37458073 0.18451847 1.01760372 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45050000\n_cell_length_b 7.22817000\n_cell_length_c 5.40552000\n_cell_angle_alpha 106.05167000\n_cell_angle_beta 89.92981000\n_cell_angle_gamma 99.80902000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 90.56148884\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22117832 0.07381266 0.78653744 1\n C C1 1 0.45756825 0.55363314 0.59027724 1\n C C2 1 0.26295688 0.15402558 0.31490514 1\n C C3 1 0.56156762 0.76016951 0.67646217 1\n C C4 1 0.90714123 0.45380432 0.54443668 1\n C C5 1 0.60749503 0.83725077 0.20580547 1\n C C6 1 0.77346511 0.17513672 0.72348176 1\n C C7 1 0.29486985 0.21622034 0.06777139 1\n C C8 1 0.80188795 0.23582827 0.47434721 1\n C C9 1 -0.15277533 0.31830737 0.00815962 1\n C C10 1 0.15602330 0.93662094 0.24423281 1\n C C11 1 0.50504305 0.63120332 0.12496333 1\n C C12 1 1.11317883 0.86057669 0.71536353 1\n C C13 1 0.95507763 0.53117578 1.08855380 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43231000\n_cell_length_b 3.99378000\n_cell_length_c 4.63169000\n_cell_angle_alpha 95.97488000\n_cell_angle_beta 75.39978000\n_cell_angle_gamma 90.93152000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.30100060\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49441952 0.28006092 0.37334690 1\n C C1 1 0.71460680 0.72784256 0.93124041 1\n C C2 1 0.38002090 0.06230249 0.59845146 1\n C C3 1 0.04873104 0.39279576 0.26332304 1\n C C4 1 0.82546859 0.94842295 0.70808076 1\n C C5 1 0.16051425 0.61520872 1.04130632 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44850000\n_cell_length_b 4.85237000\n_cell_length_c 5.45223000\n_cell_angle_alpha 108.74966000\n_cell_angle_beta 89.95125000\n_cell_angle_gamma 104.61012000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.12904000\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21305126 0.86483112 0.74111129 1\n C C1 1 0.16979939 0.77333830 1.18596056 1\n C C2 1 0.85449094 0.14319773 0.51710977 1\n C C3 1 0.44079215 0.31486390 0.18711733 1\n C C4 1 0.60641057 0.64565226 0.28924107 1\n C C5 1 0.70191897 0.84005361 0.57055317 1\n C C6 1 -0.05025215 0.33713340 0.79796263 1\n C C7 1 0.34198222 0.11722435 0.34640864 1\n C C8 1 0.38437301 0.20910881 0.90177249 1\n C C9 1 0.11601054 0.66782951 0.90076254 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.21749000\n_cell_length_b 4.76719000\n_cell_length_c 4.62845000\n_cell_angle_alpha 76.03729000\n_cell_angle_beta 86.93078000\n_cell_angle_gamma 89.88143000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 90.17288455\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89499323 0.97119990 0.94073367 1\n C C1 1 0.89422963 0.44672446 0.97166518 1\n C C2 1 0.83408232 -0.02482155 0.27308812 1\n C C3 1 0.81132622 0.42445675 0.49589962 1\n C C4 1 0.81225401 0.72764973 0.50159793 1\n C C5 1 0.83608230 0.27818811 0.27806511 1\n C C6 1 0.24407824 0.97577786 -0.10618045 1\n C C7 1 0.24064990 0.47185167 0.90133897 1\n C C8 1 0.75180833 0.25546472 0.80312745 1\n C C9 1 0.75077575 0.73133941 0.83408474 1\n C C10 1 0.40447874 0.23182807 0.86971142 1\n C C11 1 0.40132733 0.72678138 0.88281353 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46413000\n_cell_length_b 6.13127000\n_cell_length_c 5.61381000\n_cell_angle_alpha 102.38047000\n_cell_angle_beta 89.99386000\n_cell_angle_gamma 101.60400000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.06722326\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05201565 0.39995716 0.07305446 1\n C C1 1 0.29753455 0.10405384 0.48173228 1\n C C2 1 0.77018686 0.04829849 0.32209645 1\n C C3 1 0.41988385 0.34660072 0.62412236 1\n C C4 1 0.82032109 0.14995522 0.07928008 1\n C C5 1 0.51254378 0.52878643 0.19777055 1\n C C6 1 0.52693516 0.55699834 0.46930350 1\n C C7 1 1.06549015 0.64401367 0.81032406 1\n C C8 1 0.22158391 0.95591192 0.66195638 1\n C C9 1 0.26252861 0.03361808 0.94323173 1\n C C10 1 0.63902290 0.79246376 0.16985367 1\n C C11 1 1.14802379 0.81166166 0.02270389 1\n C C12 1 0.09802080 0.69922320 0.57910238 1\n C C13 1 0.95061710 0.40695682 0.79285691 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.67896000\n_cell_length_b 4.19266000\n_cell_length_c 5.20734000\n_cell_angle_alpha 113.61813000\n_cell_angle_beta 53.26978000\n_cell_angle_gamma 89.80855000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.53120562\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10656955 0.65416159 0.57770543 1\n C C1 1 0.77323621 0.32082826 0.91103877 1\n C C2 1 0.43991652 0.31924274 0.24439027 1\n C C3 1 0.77324985 0.65257607 0.91105693 1\n C C4 1 0.10658319 0.98590941 0.57772360 1\n C C5 1 0.43990288 0.98749493 0.24437210 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48304000\n_cell_length_b 4.26788000\n_cell_length_c 6.07173000\n_cell_angle_alpha 62.29932000\n_cell_angle_beta 89.99832000\n_cell_angle_gamma 89.99300000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.96945281\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.23057795 0.87667313 0.86460037 1\n C C1 1 0.73032217 0.33984578 0.20508250 1\n C C2 1 0.23022547 0.56710612 0.12357577 1\n C C3 1 0.73042427 0.15263646 0.48790788 1\n C C4 1 0.73056681 0.08621299 0.87197824 1\n C C5 1 0.23037460 0.62288456 0.53145024 1\n C C6 1 0.73029453 0.39565239 0.61281906 1\n C C7 1 0.23002722 0.81017124 0.24849621 1\n C C8 1 0.73020075 1.04076694 0.13818606 1\n C C9 1 1.23056784 0.92206218 0.59839208 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.53948000\n_cell_length_b 3.44296000\n_cell_length_c 4.83136000\n_cell_angle_alpha 56.42134000\n_cell_angle_beta 81.35208000\n_cell_angle_gamma 62.74788000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18390370\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07873408 -0.25805685 0.98101169 1\n C C1 1 0.29364067 0.53225060 0.78966561 1\n C C2 1 0.63732210 0.18407687 0.48215911 1\n C C3 1 0.67721927 0.14867195 0.78939429 1\n C C4 1 0.02112652 0.80072379 0.48189088 1\n C C5 1 0.23583517 0.59077534 0.29065082 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48530000\n_cell_length_b 4.08676000\n_cell_length_c 4.67841000\n_cell_angle_alpha 96.65661000\n_cell_angle_beta 74.63539000\n_cell_angle_gamma 89.99944000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.48716426\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50281548 0.76223781 0.53864263 1\n C C1 1 1.22984409 0.69991655 0.08009997 1\n C C2 1 0.01779120 0.23580018 0.51010163 1\n C C3 1 0.07412170 0.88020955 0.39445698 1\n C C4 1 0.34767706 0.94176476 0.85277404 1\n C C5 1 0.84866421 0.16832958 0.85093616 1\n C C6 1 0.72854888 0.47426132 0.08255551 1\n C C7 1 0.55936958 0.40651976 0.42443477 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42758000\n_cell_length_b 3.09546000\n_cell_length_c 5.64532000\n_cell_angle_alpha 89.54077000\n_cell_angle_beta 100.70404000\n_cell_angle_gamma 86.85529000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.61354390\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09485410 0.91413842 0.59669361 1\n C C1 1 0.31689803 0.47433101 0.04267983 1\n C C2 1 0.98357181 0.14083810 0.37596751 1\n C C3 1 0.42820365 0.24755962 0.26338131 1\n C C4 1 0.65022840 0.80752594 0.70931392 1\n C C5 1 0.76152691 0.58095761 0.93007753 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28625000\n_cell_length_b 4.71400000\n_cell_length_c 4.15072000\n_cell_angle_alpha 55.31510000\n_cell_angle_beta 77.21931000\n_cell_angle_gamma 67.16998000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.73168457\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70076826 0.16983494 0.83569407 1\n C C1 1 0.70104622 0.48146131 0.21249125 1\n C C2 1 0.01639982 0.65565353 0.52425064 1\n C C3 1 0.36050236 0.34515436 0.52417059 1\n C C4 1 0.67619815 0.83098585 0.21268581 1\n C C5 1 1.07886095 0.16790812 0.52408352 1\n C C6 1 0.29802863 0.83291879 0.52431949 1\n C C7 1 0.67589391 0.51936840 0.83589303 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.69113000\n_cell_length_b 4.81590000\n_cell_length_c 5.45100000\n_cell_angle_alpha 131.55585000\n_cell_angle_beta 118.01223000\n_cell_angle_gamma 86.16125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.35508082\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53163027 0.12143624 0.95196964 1\n C C1 1 0.47575537 0.56252439 0.89470125 1\n C C2 1 0.09104520 0.17951178 0.51152378 1\n C C3 1 0.12947757 0.90865900 0.54841456 1\n C C4 1 0.68844724 -0.03275555 0.10805456 1\n C C5 1 0.74468295 0.52588704 0.16489841 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48354000\n_cell_length_b 4.04934000\n_cell_length_c 5.01098000\n_cell_angle_alpha 66.16586000\n_cell_angle_beta 85.61505000\n_cell_angle_gamma 78.97210000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.24504473\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75982374 0.91066972 0.44779559 1\n C C1 1 0.88909433 0.86313860 0.16437468 1\n C C2 1 0.20679428 0.14094171 0.44792577 1\n C C3 1 0.07031620 0.47322004 0.16446241 1\n C C4 1 0.25904660 0.28898419 0.68970334 1\n C C5 1 0.38879430 0.95818561 -0.02617183 1\n C C6 1 0.57001218 0.56859621 0.97349640 1\n C C7 1 0.70605377 0.52047461 0.68942444 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04765000\n_cell_length_b 2.43006000\n_cell_length_c 8.97690000\n_cell_angle_alpha 67.50519000\n_cell_angle_beta 104.19645000\n_cell_angle_gamma 109.57393000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.34886082\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69682606 0.86734594 0.34619795 1\n C C1 1 0.85655583 0.69753813 0.51349876 1\n C C2 1 0.35253040 0.19550068 0.01379292 1\n C C3 1 0.09897054 0.94375295 0.76419184 1\n C C4 1 0.18235522 0.36017546 0.84749705 1\n C C5 1 0.94045284 0.11432584 0.59676534 1\n C C6 1 0.61129612 0.44987061 0.26303687 1\n C C7 1 0.43990368 0.61378298 0.09684616 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48478000\n_cell_length_b 4.67656000\n_cell_length_c 4.08576000\n_cell_angle_alpha 83.37456000\n_cell_angle_beta 90.00825000\n_cell_angle_gamma 105.31429000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.46298143\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75515196 0.39275843 1.04357376 1\n C C1 1 0.81078293 0.50746722 0.68786047 1\n C C2 1 0.29728829 0.47813335 0.21439828 1\n C C3 1 -0.03266741 0.82100411 0.50863931 1\n C C4 1 0.46646270 0.81897156 0.28187780 1\n C C5 1 0.58490040 1.05179416 -0.02395174 1\n C C6 1 0.23882030 0.36250887 0.56988951 1\n C C7 1 0.08349653 0.04927820 0.75025851 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.13656000\n_cell_length_b 4.59433000\n_cell_length_c 4.39439000\n_cell_angle_alpha 103.34131000\n_cell_angle_beta 102.25464000\n_cell_angle_gamma 127.91070000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.13468011\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75912810 0.82004567 0.80224659 1\n C C1 1 0.78355810 0.03179032 0.60732114 1\n C C2 1 0.31597165 0.88151278 0.30440730 1\n C C3 1 0.72062110 0.47357312 0.10919887 1\n C C4 1 0.33930788 1.09347625 1.10984390 1\n C C5 1 0.38016947 0.43887516 0.80169059 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48794000\n_cell_length_b 4.97464000\n_cell_length_c 4.30519000\n_cell_angle_alpha 125.30255000\n_cell_angle_beta 89.99799000\n_cell_angle_gamma 90.02307000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.48540610\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68627154 -0.04269272 0.77678054 1\n C C1 1 0.68632705 0.08230614 0.52681965 1\n C C2 1 0.68642912 0.58230674 0.52693930 1\n C C3 1 0.68637361 0.45730788 0.77690018 1\n C C4 1 0.18642912 0.58230674 1.02693930 1\n C C5 1 0.18637361 0.45730788 0.27690018 1\n C C6 1 0.18632705 0.08230614 0.02681965 1\n C C7 1 0.18627154 0.95730728 1.27678054 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42948000\n_cell_length_b 3.07058000\n_cell_length_c 5.89674000\n_cell_angle_alpha 94.66182000\n_cell_angle_beta 101.94505000\n_cell_angle_gamma 89.98620000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.88807155\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45688649 0.23885066 0.21196926 1\n C C1 1 -0.09953615 1.13048640 0.09960316 1\n C C2 1 0.79014202 0.90609234 0.87847183 1\n C C3 1 0.23370860 -0.20213513 0.76608781 1\n C C4 1 0.12350702 0.57261688 0.54519098 1\n C C5 1 0.56713612 0.46390935 0.43293146 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48725000\n_cell_length_b 4.06211000\n_cell_length_c 5.31293000\n_cell_angle_alpha 75.89357000\n_cell_angle_beta 117.96496000\n_cell_angle_gamma 90.03655000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.57501960\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66946213 0.97339639 0.82417866 1\n C C1 1 0.12285334 0.50808408 0.77878648 1\n C C2 1 0.73696681 0.30677256 0.89325910 1\n C C3 1 0.31909378 0.96571559 0.47551529 1\n C C4 1 0.59135060 0.53814043 0.24614872 1\n C C5 1 1.08544025 0.31421695 0.24073684 1\n C C6 1 0.28424175 0.77227548 0.93849281 1\n C C7 1 0.81419554 0.73991661 0.47074610 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49463000\n_cell_length_b 3.42086000\n_cell_length_c 7.21681000\n_cell_angle_alpha 61.67103000\n_cell_angle_beta 80.02432000\n_cell_angle_gamma 68.60754000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.47597301\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03213456 0.87487514 0.79299203 1\n C C1 1 0.03169482 0.10956207 0.55930825 1\n C C2 1 0.44465900 0.38906611 0.45383677 1\n C C3 1 0.21859432 0.33465450 0.95390474 1\n C C4 1 0.63137113 0.40323495 1.05925066 1\n C C5 1 0.63116230 0.17070548 0.29290062 1\n C C6 1 0.21799727 -0.10857110 0.39869942 1\n C C7 1 0.44497590 0.94271765 0.89867201 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.08074000\n_cell_length_b 4.74202000\n_cell_length_c 4.58212000\n_cell_angle_alpha 101.34750000\n_cell_angle_beta 100.21059000\n_cell_angle_gamma 118.27742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.70724019\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94321745 0.41324234 0.29317623 1\n C C1 1 0.16277936 0.75921735 0.42240866 1\n C C2 1 0.07853812 0.30923686 0.04715357 1\n C C3 1 0.51894324 0.32901433 0.64482618 1\n C C4 1 0.40235533 0.61892174 0.03780641 1\n C C5 1 0.63716014 0.65349242 0.83917957 1\n C C6 1 0.65301810 0.22556511 0.39787521 1\n C C7 1 0.96037451 0.98461022 0.85285590 1\n C C8 1 0.19425625 0.01918316 0.65304261 1\n C C9 1 0.43436831 0.87960577 0.26876047 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51569000\n_cell_length_b 4.92606000\n_cell_length_c 6.14313000\n_cell_angle_alpha 77.77862000\n_cell_angle_beta 65.57143000\n_cell_angle_gamma 59.23632000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.55971968\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41668482 0.18502720 0.11700067 1\n C C1 1 0.62839091 0.84221930 0.74744655 1\n C C2 1 0.49729136 0.33945895 0.87945737 1\n C C3 1 1.26370603 0.20687958 0.74742011 1\n C C4 1 0.37601944 0.34236827 0.50209624 1\n C C5 1 0.01171372 0.70659379 0.50213821 1\n C C6 1 0.03345002 0.34374202 0.34522248 1\n C C7 1 0.73822934 -0.13671919 1.11694386 1\n C C8 1 -0.32800041 0.70496722 0.34521667 1\n C C9 1 1.12728337 0.70953946 0.87938082 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43011000\n_cell_length_b 2.60822000\n_cell_length_c 8.79610000\n_cell_angle_alpha 106.99213000\n_cell_angle_beta 96.08820000\n_cell_angle_gamma 93.34176000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.78319050\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40530895 -0.08841487 0.92305460 1\n C C1 1 0.78647568 0.48240233 0.67750961 1\n C C2 1 1.15751707 0.14059301 0.42145752 1\n C C3 1 0.48768564 0.20553357 0.08785791 1\n C C4 1 0.86735610 0.76692813 0.84282127 1\n C C5 1 0.24757737 0.35267342 0.59612116 1\n C C6 1 1.02743002 0.34212456 0.16883466 1\n C C7 1 0.11665187 0.56264814 0.34359147 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42990000\n_cell_length_b 3.21599000\n_cell_length_c 6.42581000\n_cell_angle_alpha 75.44329000\n_cell_angle_beta 69.41543000\n_cell_angle_gamma 71.10400000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.93630366\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03946743 0.73506841 0.39187965 1\n C C1 1 0.29029093 0.40690261 0.72642815 1\n C C2 1 0.62491552 0.07223260 1.05918080 1\n C C3 1 0.17869913 1.18490320 0.94853113 1\n C C4 1 0.84564524 0.51797646 0.61475600 1\n C C5 1 0.51477871 0.84737282 0.28088296 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42741000\n_cell_length_b 6.08310000\n_cell_length_c 6.68306000\n_cell_angle_alpha 89.15438000\n_cell_angle_beta 104.65447000\n_cell_angle_gamma 114.10978000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.70478874\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02669835 0.17701846 0.28313517 1\n C C1 1 0.25490002 -0.15118499 -0.02306262 1\n C C2 1 0.90307958 0.56384759 0.33252689 1\n C C3 1 0.58662220 0.31765725 0.20948884 1\n C C4 1 0.80419092 0.28441559 0.62871345 1\n C C5 1 0.63737616 0.81852317 0.87362871 1\n C C6 1 0.02408436 0.52447266 0.55515645 1\n C C7 1 0.89804385 0.87950084 0.54694029 1\n C C8 1 -0.07314650 0.30782894 0.86506207 1\n C C9 1 0.48939540 0.31862977 0.97410046 1\n C C10 1 0.56832528 0.73337435 0.32804858 1\n C C11 1 0.11565171 0.15082434 0.52596307 1\n C C12 1 0.38035001 0.77804069 0.64914997 1\n C C13 1 0.58675834 0.92148264 0.19329165 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49186000\n_cell_length_b 2.48381000\n_cell_length_c 7.51549000\n_cell_angle_alpha 90.00351000\n_cell_angle_beta 99.63542000\n_cell_angle_gamma 89.99637000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.85946502\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60567778 0.78876976 0.36136318 1\n C C1 1 0.21810617 0.28876348 0.59165533 1\n C C2 1 0.98302555 0.28877491 0.12390805 1\n C C3 1 0.54383712 0.28875860 0.24316298 1\n C C4 1 0.36315086 0.78878702 0.88284691 1\n C C5 1 0.16701201 0.78874252 0.48438397 1\n C C6 1 0.92528829 0.78876207 1.00619843 1\n C C7 1 0.30655992 0.28876254 0.77564835 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43182000\n_cell_length_b 3.05295000\n_cell_length_c 7.87323000\n_cell_angle_alpha 89.07608000\n_cell_angle_beta 92.34121000\n_cell_angle_gamma 96.45635000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.02951522\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14169889 0.54973061 0.56124637 1\n C C1 1 0.14214509 0.21848634 0.89507819 1\n C C2 1 0.63953044 0.78610884 0.30959791 1\n C C3 1 1.14046688 1.04223091 1.06036851 1\n C C4 1 0.64201244 0.30203117 0.81154902 1\n C C5 1 0.14025108 -0.29364378 0.39353572 1\n C C6 1 0.64048166 -0.04237492 0.14368729 1\n C C7 1 0.64244431 0.46973742 0.64522607 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43571000\n_cell_length_b 5.19373000\n_cell_length_c 4.68163000\n_cell_angle_alpha 56.34904000\n_cell_angle_beta 104.86668000\n_cell_angle_gamma 89.95966000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.89257156\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19533568 0.59776160 0.13171415 1\n C C1 1 0.94839306 0.18183688 0.64044711 1\n C C2 1 0.13728405 0.92166318 0.01960094 1\n C C3 1 0.39620750 0.39510816 0.53616586 1\n C C4 1 0.29582581 -0.04921573 0.33369843 1\n C C5 1 0.79567395 0.12878192 0.33361068 1\n C C6 1 0.64334157 0.48902510 0.02683628 1\n C C7 1 0.45400837 0.60759099 0.64758306 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48878000\n_cell_length_b 7.13992000\n_cell_length_c 6.35370000\n_cell_angle_alpha 120.91177000\n_cell_angle_beta 98.86396000\n_cell_angle_gamma 97.56922000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.70079203\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29769944 0.22907523 0.10518851 1\n C C1 1 0.45085690 0.12461497 0.40779044 1\n C C2 1 0.90745598 -0.04061639 0.63636424 1\n C C3 1 0.30875224 0.81128369 0.61095058 1\n C C4 1 1.06999785 0.57438052 0.35809324 1\n C C5 1 0.22019878 1.06726898 1.14865031 1\n C C6 1 1.35321958 0.74053608 0.81242244 1\n C C7 1 0.52665944 0.44637978 0.35141479 1\n C C8 1 0.12605585 0.20090876 0.87235205 1\n C C9 1 0.90758488 0.78486669 0.17347373 1\n C C10 1 0.88533171 0.56140324 0.10622639 1\n C C11 1 -0.08686663 -0.00634246 0.41720094 1\n C C12 1 -0.05065917 0.83296837 0.97813104 1\n C C13 1 0.60916826 0.38270854 0.55274517 1\n C C14 1 0.21125962 0.48347489 0.71323974 1\n C C15 1 0.25833687 0.43849789 0.92969728 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.50797000\n_cell_length_b 3.50132000\n_cell_length_c 3.42901000\n_cell_angle_alpha 88.86682000\n_cell_angle_beta 82.19444000\n_cell_angle_gamma 82.94198000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.82415640\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08325574 0.95298381 0.19654056 1\n C C1 1 0.78008565 0.83173790 0.89856495 1\n C C2 1 0.33702132 0.94729315 1.01851952 1\n C C3 1 0.44712038 0.65956282 0.24130290 1\n C C4 1 0.12682967 0.87657978 -0.04032468 1\n C C5 1 0.79999679 0.32672497 0.39397111 1\n C C6 1 0.12522246 0.61880377 0.66985843 1\n C C7 1 0.66420770 0.51864607 0.09117128 1\n C C8 1 0.33286613 0.44199714 0.50478846 1\n C C9 1 0.66312433 0.19736141 -0.23540121 1\n C C10 1 0.91633012 0.64856874 0.53212392 1\n C C11 1 0.44249699 0.16187396 0.73541635 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42681000\n_cell_length_b 4.15592000\n_cell_length_c 6.52564000\n_cell_angle_alpha 67.57831000\n_cell_angle_beta 79.16798000\n_cell_angle_gamma 89.94987000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.57365938\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21959252 1.00575589 1.00078129 1\n C C1 1 0.43586475 0.93500616 0.58644566 1\n C C2 1 0.20391154 0.63013629 0.04291934 1\n C C3 1 -0.11535177 0.79431368 0.68795605 1\n C C4 1 0.53634292 0.24307571 0.38583875 1\n C C5 1 0.76097460 0.55288371 0.92993777 1\n C C6 1 0.73269414 0.17733527 -0.02705961 1\n C C7 1 1.08603310 0.38464259 0.28478956 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48865000\n_cell_length_b 4.97441000\n_cell_length_c 4.30458000\n_cell_angle_alpha 73.20632000\n_cell_angle_beta 73.16146000\n_cell_angle_gamma 59.95260000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47884097\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56103152 0.55060502 0.79661589 1\n C C1 1 0.43726333 0.48759582 0.17159081 1\n C C2 1 -0.06319897 0.23766389 0.67159601 1\n C C3 1 0.06134285 0.30055089 0.29661645 1\n C C4 1 0.06124999 0.80055261 0.29660815 1\n C C5 1 0.93689389 0.73766218 0.67160431 1\n C C6 1 0.56088055 0.05061897 0.79662165 1\n C C7 1 0.43711236 -0.01239024 0.17159657 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42429000\n_cell_length_b 4.20620000\n_cell_length_c 5.86950000\n_cell_angle_alpha 45.70200000\n_cell_angle_beta 89.87675000\n_cell_angle_gamma 89.91257000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.83669856\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91653813 0.87000594 0.96661078 1\n C C1 1 0.41662317 0.05656998 0.81149442 1\n C C2 1 0.91627210 1.05473471 0.37469818 1\n C C3 1 0.91672418 0.46218217 0.31353415 1\n C C4 1 0.41632774 0.86923829 0.40514089 1\n C C5 1 0.41619738 0.46232789 0.46452198 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47373000\n_cell_length_b 4.23631000\n_cell_length_c 5.46167000\n_cell_angle_alpha 89.97586000\n_cell_angle_beta 89.96964000\n_cell_angle_gamma 90.00179000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.23548736\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66499675 0.46338158 0.12270711 1\n C C1 1 0.66504771 0.26274096 0.48926811 1\n C C2 1 0.16505771 0.76585715 0.46829831 1\n C C3 1 0.16505368 0.76585121 0.77512447 1\n C C4 1 0.66496317 0.59439666 0.86254016 1\n C C5 1 0.66506524 0.26301682 0.75664484 1\n C C6 1 0.16499737 0.24187305 0.12282240 1\n C C7 1 0.66513367 0.59407304 0.38254274 1\n C C8 1 0.16514409 1.10538018 0.38455392 1\n C C9 1 0.16494153 0.10526623 0.86101274 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42325000\n_cell_length_b 4.17473000\n_cell_length_c 5.70214000\n_cell_angle_alpha 47.10596000\n_cell_angle_beta 89.59865000\n_cell_angle_gamma 89.70196000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.25993233\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08943191 0.26719035 0.41958795 1\n C C1 1 0.58860884 0.86189871 0.92124454 1\n C C2 1 0.58963909 0.26776795 -0.13904009 1\n C C3 1 0.58958349 0.45692300 0.26677431 1\n C C4 1 0.09033618 0.86241003 0.76505672 1\n C C5 1 0.08943250 0.45646006 0.82533518 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49020000\n_cell_length_b 3.86596000\n_cell_length_c 7.54322000\n_cell_angle_alpha 99.14766000\n_cell_angle_beta 70.71595000\n_cell_angle_gamma 89.98839000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.56418448\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71532040 0.21870636 0.20597080 1\n C C1 1 1.05051244 0.11759358 0.86855547 1\n C C2 1 0.41404378 1.12528737 0.50784122 1\n C C3 1 0.51978625 0.41673229 0.40359635 1\n C C4 1 0.87794961 0.42601460 0.04309091 1\n C C5 1 1.37630639 0.66952050 0.04494661 1\n C C6 1 -0.27954420 0.56075360 0.69938002 1\n C C7 1 0.21415633 0.32445280 0.70567806 1\n C C8 1 0.55254597 0.87404931 0.86634536 1\n C C9 1 1.20960306 0.98196041 0.21187289 1\n C C10 1 -0.05602425 0.59975566 0.47926013 1\n C C11 1 0.98986011 0.94152102 0.43196258 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42942000\n_cell_length_b 4.73594000\n_cell_length_c 5.63103000\n_cell_angle_alpha 71.98900000\n_cell_angle_beta 102.44636000\n_cell_angle_gamma 74.95723000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.33199544\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11631825 0.90493007 0.25508653 1\n C C1 1 0.38582361 0.98622912 0.33986003 1\n C C2 1 0.88381845 0.40540025 0.75496674 1\n C C3 1 0.38530208 0.48720800 0.83923773 1\n C C4 1 0.88441541 0.23770143 0.58866892 1\n C C5 1 0.38493022 0.65415096 0.00592211 1\n C C6 1 0.88652681 0.73596008 1.09021603 1\n C C7 1 0.38271137 0.15606188 0.50423542 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40896000\n_cell_length_b 5.15290000\n_cell_length_c 5.71729000\n_cell_angle_alpha 61.59791000\n_cell_angle_beta 56.19269000\n_cell_angle_gamma 65.22133000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.74629814\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84395705 0.63193787 0.38648179 1\n C C1 1 0.59640941 0.36563033 1.14346903 1\n C C2 1 1.11725946 0.84753671 0.14452196 1\n C C3 1 0.38940606 0.60356975 0.62684538 1\n C C4 1 0.02379128 0.16035309 0.03156681 1\n C C5 1 0.96201981 0.80852980 0.73910910 1\n C C6 1 0.14284464 0.33606184 0.38514301 1\n C C7 1 0.57970601 0.68043492 0.99733522 1\n C C8 1 0.40602920 0.28859221 0.77327941 1\n C C9 1 -0.13136722 0.12116858 0.62650730 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.01531000\n_cell_length_b 4.58986000\n_cell_length_c 6.42247000\n_cell_angle_alpha 107.31462000\n_cell_angle_beta 117.45006000\n_cell_angle_gamma 83.49167000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 100.23844084\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64628447 0.44094171 0.28751046 1\n C C1 1 -0.06892853 0.72711105 0.71577312 1\n C C2 1 0.21886098 1.01222153 0.14496419 1\n C C3 1 0.69010061 0.49068611 0.52465032 1\n C C4 1 0.36320153 0.15364491 0.85937721 1\n C C5 1 0.26404389 0.06161217 0.38270830 1\n C C6 1 0.07509591 0.86937667 0.43025931 1\n C C7 1 0.50394352 0.29853339 0.57365961 1\n C C8 1 0.12073839 0.91843549 0.66804918 1\n C C9 1 0.78779037 0.58495711 0.00168959 1\n C C10 1 -0.02345565 0.77623909 -0.04651057 1\n C C11 1 0.54806314 0.34800084 0.81090748 1\n C C12 1 0.40775928 0.20327469 1.09687691 1\n C C13 1 0.83210078 0.63457142 0.23898359 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42183000\n_cell_length_b 4.16257000\n_cell_length_c 4.16668000\n_cell_angle_alpha 84.12687000\n_cell_angle_beta 89.60797000\n_cell_angle_gamma 90.42199000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.78161839\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07780639 0.51404731 1.03871642 1\n C C1 1 0.57620390 0.41365073 0.54319806 1\n C C2 1 1.07728040 0.91791375 0.44190384 1\n C C3 1 0.07894706 0.57271745 0.38350655 1\n C C4 1 0.57780211 0.47364442 0.88765124 1\n C C5 1 0.57741654 1.06894643 0.48222170 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44235000\n_cell_length_b 5.15370000\n_cell_length_c 5.41631000\n_cell_angle_alpha 101.44053000\n_cell_angle_beta 89.99901000\n_cell_angle_gamma 118.29878000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.48511865\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73290040 0.64905499 0.38359147 1\n C C1 1 0.36581889 0.28068901 0.63725136 1\n C C2 1 0.64374810 0.56139262 0.82200454 1\n C C3 1 0.36223071 0.27636308 0.36910921 1\n C C4 1 0.85574421 0.77144722 0.66314934 1\n C C5 1 1.32690030 0.74297023 0.24660144 1\n C C6 1 -0.23570419 0.17983220 0.97394561 1\n C C7 1 0.69361015 0.10836550 0.23438752 1\n C C8 1 0.12004928 0.53638787 -0.01463085 1\n C C9 1 0.15828414 0.07464376 0.80102336 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46150000\n_cell_length_b 4.67717000\n_cell_length_c 6.37350000\n_cell_angle_alpha 70.14592000\n_cell_angle_beta 89.99082000\n_cell_angle_gamma 105.25899000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.25761992\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92275041 0.22618021 0.82872668 1\n C C1 1 0.40204433 0.18557888 -0.02937168 1\n C C2 1 1.13122873 0.54834148 0.65029687 1\n C C3 1 0.73228517 0.99974605 0.70406967 1\n C C4 1 0.82085448 0.85363397 0.29458143 1\n C C5 1 0.67419621 0.55808136 0.50483459 1\n C C6 1 0.06790841 0.62097588 1.03035206 1\n C C7 1 0.28838297 0.86338727 0.14853916 1\n C C8 1 0.44094319 0.41166473 0.09539194 1\n C C9 1 0.14856556 0.18390332 0.33656667 1\n C C10 1 0.15119331 0.79009492 0.76881453 1\n C C11 1 0.67130521 0.22853233 0.46239348 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46831000\n_cell_length_b 3.36759000\n_cell_length_c 6.08799000\n_cell_angle_alpha 68.23407000\n_cell_angle_beta 101.84406000\n_cell_angle_gamma 68.61571000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.22750246\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44884612 0.41532261 -0.07226262 1\n C C1 1 0.12221937 0.58640001 0.44917470 1\n C C2 1 1.13300911 0.76993946 0.65350501 1\n C C3 1 0.09902598 0.23651891 1.05040324 1\n C C4 1 0.41168246 0.88253422 0.32429398 1\n C C5 1 0.42277975 0.06608149 0.52880259 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42638000\n_cell_length_b 5.92176000\n_cell_length_c 7.89835000\n_cell_angle_alpha 103.12008000\n_cell_angle_beta 89.96105000\n_cell_angle_gamma 114.24852000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 100.22447904\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56035630 0.34438827 0.41284112 1\n C C1 1 0.49276682 0.77606468 0.18804879 1\n C C2 1 0.57694410 0.35982198 0.88339129 1\n C C3 1 0.88245640 0.16556567 0.62258821 1\n C C4 1 0.44757245 0.72976725 0.84021842 1\n C C5 1 -0.08083845 0.20193866 0.81544083 1\n C C6 1 0.20773541 0.49154725 0.18221353 1\n C C7 1 0.10938596 0.89186772 0.16383418 1\n C C8 1 0.82197248 0.60508447 0.83799601 1\n C C9 1 0.28871977 0.07107414 1.04265587 1\n C C10 1 0.58436749 0.36779885 0.08187386 1\n C C11 1 0.12669889 0.41103010 0.34973132 1\n C C12 1 0.42605602 0.20941152 0.54749432 1\n C C13 1 0.72208295 1.00478554 0.92238465 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28608000\n_cell_length_b 3.28768000\n_cell_length_c 4.94669000\n_cell_angle_alpha 112.14108000\n_cell_angle_beta 112.14679000\n_cell_angle_gamma 81.81380000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.84893747\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61503096 -0.02552496 0.67755276 1\n C C1 1 0.61492410 0.69650817 0.35781442 1\n C C2 1 0.97600752 0.33561617 0.35798020 1\n C C3 1 0.25478322 0.33594262 0.67794032 1\n C C4 1 0.61503096 0.97447504 0.17755276 1\n C C5 1 0.61492410 0.69650817 0.85781442 1\n C C6 1 0.25478322 0.33594262 0.17794032 1\n C C7 1 -0.02399248 0.33561617 0.85798020 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47758000\n_cell_length_b 2.47795000\n_cell_length_c 6.31102000\n_cell_angle_alpha 78.66154000\n_cell_angle_beta 78.70463000\n_cell_angle_gamma 59.98166000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67581448\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48159397 0.79686300 0.78930091 1\n C C1 1 0.70615975 0.01955980 0.11936849 1\n C C2 1 1.01246810 0.32442762 0.20292520 1\n C C3 1 0.92818429 0.24125614 0.45408890 1\n C C4 1 -0.21258814 1.10253539 0.87224698 1\n C C5 1 0.56634482 0.88006675 0.53835762 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37097000\n_cell_length_b 6.43082000\n_cell_length_c 6.71280000\n_cell_angle_alpha 116.41402000\n_cell_angle_beta 86.60048000\n_cell_angle_gamma 117.55820000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 113.55770379\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32741346 0.66724687 0.01734953 1\n C C1 1 0.30896791 -0.10451678 0.06540942 1\n C C2 1 0.50977886 0.55428335 0.83428224 1\n C C3 1 -0.11867872 0.32440445 0.46574480 1\n C C4 1 -0.23698940 -0.06231551 0.75687857 1\n C C5 1 0.68756440 0.20415727 0.60093702 1\n C C6 1 0.26979963 0.16072057 0.89785170 1\n C C7 1 0.83599552 0.81686391 0.34700798 1\n C C8 1 0.09080305 0.29066780 0.10412893 1\n C C9 1 0.55665710 0.06227464 -0.04645229 1\n C C10 1 0.30148215 0.58814543 0.19618142 1\n C C11 1 1.06397928 0.21147883 0.28291014 1\n C C12 1 0.50902328 0.31702925 0.78108249 1\n C C13 1 0.70417277 0.67477631 0.69928780 1\n C C14 1 0.62968406 0.94150106 0.54366195 1\n C C15 1 0.12321215 0.71847173 0.40271806 1\n C C16 1 1.08295908 0.98351925 0.23509519 1\n C C17 1 0.88390691 0.56237137 0.51955235 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06238000\n_cell_length_b 4.05197000\n_cell_length_c 4.33433000\n_cell_angle_alpha 59.99280000\n_cell_angle_beta 66.71993000\n_cell_angle_gamma 70.87981000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.20814948\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75816657 0.05302213 0.29964325 1\n C C1 1 0.42642791 0.05474463 0.63231015 1\n C C2 1 0.09296558 0.72138713 0.29925463 1\n C C3 1 0.75950531 0.38759867 0.96627381 1\n C C4 1 1.09102759 0.38597660 0.63277433 1\n C C5 1 0.42494934 0.71968015 -0.03356088 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.27489000\n_cell_length_b 4.07999000\n_cell_length_c 3.79241000\n_cell_angle_alpha 71.45756000\n_cell_angle_beta 49.00780000\n_cell_angle_gamma 64.99733000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.16734034\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16617508 0.19702078 1.15168048 1\n C C1 1 0.36199848 0.72250947 0.58742312 1\n C C2 1 0.79532368 0.06843190 0.33208137 1\n C C3 1 1.01860265 0.35788055 0.56631821 1\n C C4 1 0.53424926 0.87937264 0.07865699 1\n C C5 1 0.33764056 0.35569440 0.64311360 1\n C C6 1 0.90412850 1.01017918 0.89803873 1\n C C7 1 0.68136799 0.72045698 0.66320230 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44637000\n_cell_length_b 3.37775000\n_cell_length_c 7.85198000\n_cell_angle_alpha 106.71103000\n_cell_angle_beta 108.18301000\n_cell_angle_gamma 68.80461000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.34365004\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53217588 0.78712979 0.95315981 1\n C C1 1 0.85704896 0.55545052 0.66417299 1\n C C2 1 0.18841346 0.66206371 1.04637306 1\n C C3 1 0.44623793 0.23846578 0.09229815 1\n C C4 1 1.10194659 0.11497881 0.18636196 1\n C C5 1 0.39865177 0.65164303 0.75500788 1\n C C6 1 0.76852579 0.35326105 0.47478183 1\n C C7 1 0.22741493 0.25511792 0.38437081 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45460000\n_cell_length_b 3.40677000\n_cell_length_c 5.90039000\n_cell_angle_alpha 71.28640000\n_cell_angle_beta 65.38249000\n_cell_angle_gamma 68.82851000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.97472012\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38880693 0.59524117 0.17327422 1\n C C1 1 -0.08636712 0.80578474 0.04315773 1\n C C2 1 0.03685828 0.91847910 0.36445837 1\n C C3 1 0.56033764 0.12941333 0.23467431 1\n C C4 1 0.16408979 0.85967832 0.76661011 1\n C C5 1 0.78758478 0.86421524 0.64104676 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48803000\n_cell_length_b 2.48786000\n_cell_length_c 6.57824000\n_cell_angle_alpha 79.06281000\n_cell_angle_beta 67.74165000\n_cell_angle_gamma 59.96784000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62500502\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83591615 0.65072748 0.58151731 1\n C C1 1 0.41893723 0.31738769 0.66506827 1\n C C2 1 0.75262968 0.98361813 0.99808304 1\n C C3 1 0.08704180 0.65054557 0.33129424 1\n C C4 1 0.16885204 0.31710988 0.91520623 1\n C C5 1 0.50365780 -0.01632424 0.24811142 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47936000\n_cell_length_b 2.53608000\n_cell_length_c 6.25622000\n_cell_angle_alpha 113.20212000\n_cell_angle_beta 101.49151000\n_cell_angle_gamma 89.96631000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.29900419\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07768457 0.51554589 0.37742324 1\n C C1 1 0.99890164 0.86041275 0.21635610 1\n C C2 1 0.42248922 0.70973755 0.06156012 1\n C C3 1 0.77209973 0.91112735 0.75779667 1\n C C4 1 0.34319682 0.05477596 -0.09924697 1\n C C5 1 0.64826471 0.65871810 0.51975324 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45603000\n_cell_length_b 2.53261000\n_cell_length_c 6.36539000\n_cell_angle_alpha 83.63814000\n_cell_angle_beta 89.18686000\n_cell_angle_gamma 88.61437000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.33581366\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32172333 0.52155476 0.75597519 1\n C C1 1 0.33186941 0.89964824 0.09156483 1\n C C2 1 0.32013891 0.62073083 0.52477338 1\n C C3 1 0.82268826 0.69058458 0.41881014 1\n C C4 1 0.32841259 0.99344748 0.86019559 1\n C C5 1 0.82934751 -0.16693878 0.19816339 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43182000\n_cell_length_b 6.79468000\n_cell_length_c 5.73114000\n_cell_angle_alpha 88.04096000\n_cell_angle_beta 101.83753000\n_cell_angle_gamma 111.90083000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.90179138\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24100812 0.80385969 0.15054168 1\n C C1 1 0.29820061 0.08340899 0.70497760 1\n C C2 1 -0.03429176 0.41813526 0.37099752 1\n C C3 1 0.74182471 0.30539869 0.14984577 1\n C C4 1 0.79882907 0.58430239 0.70457624 1\n C C5 1 0.46466120 0.91625900 0.37187240 1\n C C6 1 0.40824671 0.63812817 0.81679435 1\n C C7 1 0.07439134 0.97059731 0.48384537 1\n C C8 1 0.90800554 0.13789779 0.81687722 1\n C C9 1 0.63149848 0.74987288 0.03840964 1\n C C10 1 0.57542434 0.47236414 0.48306309 1\n C C11 1 0.13193293 0.25085361 1.03794103 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44397000\n_cell_length_b 3.38589000\n_cell_length_c 7.29862000\n_cell_angle_alpha 97.96966000\n_cell_angle_beta 89.99917000\n_cell_angle_gamma 69.01798000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.76623019\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20923725 0.27724155 0.91313677 1\n C C1 1 0.83293229 1.03211638 0.62454368 1\n C C2 1 -0.01232158 0.71528562 1.05331357 1\n C C3 1 0.27963197 0.13682937 0.71377899 1\n C C4 1 0.93926478 0.81662363 0.43784010 1\n C C5 1 0.49008387 0.71529587 0.34825775 1\n C C6 1 0.55376072 0.58232603 0.14904508 1\n C C7 1 0.77499631 0.14504315 1.00948217 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.80456000\n_cell_length_b 4.80968000\n_cell_length_c 3.62137000\n_cell_angle_alpha 68.05431000\n_cell_angle_beta 78.68580000\n_cell_angle_gamma 77.15978000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.82906814\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90606122 0.12683517 0.74368872 1\n C C1 1 0.90836353 0.62623100 0.18255191 1\n C C2 1 0.90555913 0.93580235 0.14804155 1\n C C3 1 -0.09070920 0.62664013 0.80133690 1\n C C4 1 0.90774544 0.43502417 0.58691211 1\n C C5 1 0.90449788 0.93519267 0.52931760 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48139000\n_cell_length_b 3.68919000\n_cell_length_c 4.84041000\n_cell_angle_alpha 57.37010000\n_cell_angle_beta 75.16349000\n_cell_angle_gamma 70.33270000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98441455\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30255913 0.15196659 0.54878387 1\n C C1 1 -0.01769266 0.49634852 0.84626861 1\n C C2 1 0.18296251 1.02292212 -0.07826978 1\n C C3 1 0.72410257 0.43966569 0.41774889 1\n C C4 1 0.76131055 0.73522303 0.05268986 1\n C C5 1 0.50229809 0.67915945 0.62415215 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46894000\n_cell_length_b 6.10505000\n_cell_length_c 6.74535000\n_cell_angle_alpha 58.47138000\n_cell_angle_beta 68.41905000\n_cell_angle_gamma 78.23640000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.57990213\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70664470 -0.02464100 0.47430216 1\n C C1 1 0.23306662 1.09809776 0.38567194 1\n C C2 1 0.70642645 -0.02465844 -0.02544089 1\n C C3 1 0.27603390 0.37218432 0.70846783 1\n C C4 1 0.08126017 0.57639970 0.29960569 1\n C C5 1 0.86244664 0.49680613 0.05998011 1\n C C6 1 0.86241972 0.49662512 0.56008673 1\n C C7 1 0.23282946 0.09806187 0.88594078 1\n C C8 1 0.66743976 0.70102632 0.15121910 1\n C C9 1 0.66754986 0.70106652 0.65106668 1\n C C10 1 0.08127053 0.57653827 0.79950241 1\n C C11 1 0.27614909 0.37226053 0.20832427 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.09633000\n_cell_length_b 2.84860000\n_cell_length_c 4.85776000\n_cell_angle_alpha 72.21875000\n_cell_angle_beta 115.39151000\n_cell_angle_gamma 120.02134000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.03827001\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98790271 0.53968162 0.67818922 1\n C C1 1 0.20239325 -0.05195861 0.48692182 1\n C C2 1 0.60722874 0.16007014 0.67838764 1\n C C3 1 0.64096249 0.88897846 -0.01317163 1\n C C4 1 0.04584071 0.10075035 0.17829569 1\n C C5 1 0.26030331 0.50849673 0.98686496 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.87218000\n_cell_length_b 4.84573000\n_cell_length_c 5.54268000\n_cell_angle_alpha 118.61655000\n_cell_angle_beta 119.07895000\n_cell_angle_gamma 85.41336000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.99695471\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71335140 0.39615996 0.28822728 1\n C C1 1 0.21466090 0.39613120 0.78818083 1\n C C2 1 0.88123539 0.22934411 0.45469231 1\n C C3 1 0.37992589 0.22937287 -0.04526124 1\n C C4 1 0.37993846 0.72934744 0.95470875 1\n C C5 1 -0.11877105 0.72937780 0.45472625 1\n C C6 1 0.21464832 0.89615663 0.78821085 1\n C C7 1 0.71335783 0.89612627 0.28819334 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47511000\n_cell_length_b 5.91382000\n_cell_length_c 6.29591000\n_cell_angle_alpha 79.51793000\n_cell_angle_beta 78.68110000\n_cell_angle_gamma 77.75335000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.35510868\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17506953 0.47691812 0.49574600 1\n C C1 1 0.01215898 1.14610941 1.14947717 1\n C C2 1 0.30351533 0.59550698 0.10887329 1\n C C3 1 0.78166202 0.12954379 0.62856352 1\n C C4 1 0.56033519 0.82449725 0.36616922 1\n C C5 1 1.04413511 0.29669877 0.93623722 1\n C C6 1 0.15221915 0.69252357 0.31507505 1\n C C7 1 0.61125853 0.29976862 0.80070199 1\n C C8 1 0.45688743 0.77000104 0.63863047 1\n C C9 1 0.87719888 0.51032862 0.04683499 1\n C C10 1 0.30915648 0.21111284 0.49022857 1\n C C11 1 0.47613972 1.08940934 0.27551351 1\n C C12 1 0.87366177 0.87735786 0.69637862 1\n C C13 1 0.59089128 0.51326301 0.62993399 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44911000\n_cell_length_b 3.36768000\n_cell_length_c 7.57092000\n_cell_angle_alpha 79.07675000\n_cell_angle_beta 80.69857000\n_cell_angle_gamma 68.75016000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.84800612\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35629208 0.85660150 0.15859424 1\n C C1 1 0.73950881 0.79908857 0.44640014 1\n C C2 1 0.44814535 0.86559419 0.96641643 1\n C C3 1 0.50106922 0.13517779 0.58690464 1\n C C4 1 0.98917215 0.87285016 0.87477503 1\n C C5 1 0.81134374 -0.14589164 0.25008831 1\n C C6 1 0.05604904 0.93267269 0.67848800 1\n C C7 1 0.29480951 0.59665313 0.53805541 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42764000\n_cell_length_b 4.23146000\n_cell_length_c 4.23401000\n_cell_angle_alpha 95.81234000\n_cell_angle_beta 90.04579000\n_cell_angle_gamma 90.02592000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.27008033\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73948106 0.07922085 0.36647961 1\n C C1 1 0.23946350 0.94040619 0.50581614 1\n C C2 1 0.73946137 0.43133667 0.42876304 1\n C C3 1 0.23954806 0.58864199 0.44508078 1\n C C4 1 0.23910908 0.00254649 -0.14258711 1\n C C5 1 0.73920984 1.01946841 1.01490955 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48111000\n_cell_length_b 3.68900000\n_cell_length_c 4.21878000\n_cell_angle_alpha 75.22988000\n_cell_angle_beta 90.00490000\n_cell_angle_gamma 70.34984000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00687027\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12211384 0.85584293 0.56509696 1\n C C1 1 0.00036497 0.09821028 0.19231397 1\n C C2 1 0.54346044 0.01295303 0.69586773 1\n C C3 1 0.57843687 0.94170852 0.06120163 1\n C C4 1 0.31984147 0.45835098 0.48953833 1\n C C5 1 0.80044901 0.49639257 0.26769328 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47748000\n_cell_length_b 2.47822000\n_cell_length_c 6.31041000\n_cell_angle_alpha 89.95646000\n_cell_angle_beta 78.67469000\n_cell_angle_gamma 59.97879000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67554051\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97498519 0.43373279 0.26969452 1\n C C1 1 0.25473347 0.29186217 0.85195463 1\n C C2 1 0.80592936 0.51909684 0.52083105 1\n C C3 1 0.86663325 -0.01427892 0.93490163 1\n C C4 1 0.41745864 0.21267536 0.60454321 1\n C C5 1 0.69866908 0.07155546 0.18574646 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.62495000\n_cell_length_b 4.19690000\n_cell_length_c 4.17789000\n_cell_angle_alpha 120.26453000\n_cell_angle_beta 100.32684000\n_cell_angle_gamma 70.68765000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 37.51192216\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45410185 0.50766516 0.70794780 1\n C C1 1 0.26545732 0.88779454 0.36975856 1\n C C2 1 0.38762354 0.85253965 0.70725475 1\n C C3 1 0.57479699 1.13599260 0.37130544 1\n C C4 1 0.45128651 0.17146896 0.03379633 1\n C C5 1 0.38442539 0.51634520 0.03295062 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06190000\n_cell_length_b 4.03686000\n_cell_length_c 5.49717000\n_cell_angle_alpha 98.29243000\n_cell_angle_beta 130.81120000\n_cell_angle_gamma 108.78305000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.30633915\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84782781 1.04048907 0.27738457 1\n C C1 1 0.18237259 0.70652178 0.94383815 1\n C C2 1 0.84784848 0.37397202 -0.05595163 1\n C C3 1 0.18258472 0.37299599 0.27711290 1\n C C4 1 -0.15237034 0.70750866 0.61079976 1\n C C5 1 1.18254295 1.03948087 0.61041336 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43054000\n_cell_length_b 3.14698000\n_cell_length_c 6.77101000\n_cell_angle_alpha 58.74002000\n_cell_angle_beta 78.55125000\n_cell_angle_gamma 88.89569000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.17352859\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03968591 0.04676746 0.70666080 1\n C C1 1 0.62746037 0.71180993 0.37255755 1\n C C2 1 0.40428694 0.82559357 0.81859897 1\n C C3 1 0.73778882 0.15890107 0.15157617 1\n C C4 1 1.07151054 0.49072649 0.48438748 1\n C C5 1 0.29349214 0.38008547 0.04022343 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04368000\n_cell_length_b 4.81053000\n_cell_length_c 5.81034000\n_cell_angle_alpha 53.42628000\n_cell_angle_beta 56.58450000\n_cell_angle_gamma 72.43174000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.98407164\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08725145 0.71279949 0.71801078 1\n C C1 1 0.58635367 0.21259183 0.71818025 1\n C C2 1 -0.24324326 0.38037305 0.38419923 1\n C C3 1 0.58640264 0.71261771 0.21817741 1\n C C4 1 0.08719483 0.21277717 0.21801650 1\n C C5 1 0.25573762 0.88009811 0.38441425 1\n C C6 1 0.75677015 0.88037707 0.88419219 1\n C C7 1 1.25577920 0.38010947 0.88440800 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42528000\n_cell_length_b 5.91331000\n_cell_length_c 4.20985000\n_cell_angle_alpha 45.36036000\n_cell_angle_beta 90.01302000\n_cell_angle_gamma 90.01353000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.95943059\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05495894 0.26668805 0.64524179 1\n C C1 1 0.55517902 0.82985613 0.64538988 1\n C C2 1 0.05524590 0.85918434 0.46047514 1\n C C3 1 0.55507482 0.76959986 0.05300692 1\n C C4 1 0.05513625 -0.08074190 1.05293729 1\n C C5 1 0.55498627 0.42205913 0.46009039 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46464000\n_cell_length_b 5.69829000\n_cell_length_c 7.87929000\n_cell_angle_alpha 104.14311000\n_cell_angle_beta 105.85538000\n_cell_angle_gamma 90.98397000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 102.80320862\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20416911 0.43749973 0.14590029 1\n C C1 1 0.73105655 0.59281046 0.16269011 1\n C C2 1 0.29577488 0.06056465 0.24586436 1\n C C3 1 0.89582535 0.40568120 0.84313050 1\n C C4 1 0.94737369 0.46708156 0.41148050 1\n C C5 1 0.21547279 -0.04198413 0.71899184 1\n C C6 1 0.64285475 0.31594036 0.65184184 1\n C C7 1 0.48568593 0.10587663 0.94395679 1\n C C8 1 0.44269965 0.88963598 0.40588041 1\n C C9 1 0.67927066 -0.00603105 0.11867474 1\n C C10 1 0.01452706 0.25888406 0.96792222 1\n C C11 1 0.09813267 0.70518817 0.72438716 1\n C C12 1 0.08942876 0.45664798 0.60153273 1\n C C13 1 0.63635922 0.73561457 1.02573687 1\n C C14 1 0.05115334 0.66319603 0.90167670 1\n C C15 1 0.35874872 0.34206764 0.31282105 1\n C C16 1 -0.38275051 0.03498419 0.61721191 1\n C C17 1 0.90253819 0.72668489 0.36201865 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03027000\n_cell_length_b 3.13958000\n_cell_length_c 7.27870000\n_cell_angle_alpha 76.17623000\n_cell_angle_beta 98.83621000\n_cell_angle_gamma 46.29933000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.31552228\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75430422 1.08335249 0.64564089 1\n C C1 1 0.42026369 0.41735076 0.08991670 1\n C C2 1 0.42020510 0.41728610 0.75658981 1\n C C3 1 0.75425998 0.08332321 0.97897164 1\n C C4 1 0.42033448 0.41742163 0.42324777 1\n C C5 1 0.75438534 0.08345352 0.31229558 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41195000\n_cell_length_b 3.43740000\n_cell_length_c 5.76410000\n_cell_angle_alpha 74.61885000\n_cell_angle_beta 89.00217000\n_cell_angle_gamma 84.21591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.84647024\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55090906 0.00790074 0.58446862 1\n C C1 1 0.85574369 0.70743076 0.57635759 1\n C C2 1 0.45713900 0.95989506 0.83644937 1\n C C3 1 0.11096752 0.09137290 0.21163911 1\n C C4 1 0.04233144 0.65250270 0.35317770 1\n C C5 1 0.39100564 0.29949329 0.35819411 1\n C C6 1 0.69801799 0.63965927 -0.02997880 1\n C C7 1 0.76407432 0.43219075 0.22026069 1\n C C8 1 0.93853555 0.48458021 0.81636062 1\n C C9 1 0.18719780 1.16764291 0.94620929 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46035000\n_cell_length_b 2.48381000\n_cell_length_c 10.37635000\n_cell_angle_alpha 103.91695000\n_cell_angle_beta 96.91594000\n_cell_angle_gamma 90.03056000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.07245629\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30913081 0.18541195 0.19571266 1\n C C1 1 0.11506501 0.29569142 0.80929371 1\n C C2 1 0.66213482 0.38794127 0.90224694 1\n C C3 1 0.70393787 0.96932889 0.98290170 1\n C C4 1 0.47759148 1.03625165 0.54989564 1\n C C5 1 0.77598886 1.11866608 0.12778032 1\n C C6 1 0.52216529 0.61739325 0.63038438 1\n C C7 1 0.40863018 -0.10731669 0.41088736 1\n C C8 1 0.06866427 0.70937992 0.72286120 1\n C C9 1 0.37741822 0.32295985 0.34115429 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43196000\n_cell_length_b 4.20453000\n_cell_length_c 9.24726000\n_cell_angle_alpha 113.43366000\n_cell_angle_beta 91.47535000\n_cell_angle_gamma 89.99661000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.72260024\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37260269 0.95200640 0.48484377 1\n C C1 1 0.12600959 0.01231416 0.81953321 1\n C C2 1 0.62589643 0.84480952 0.81920401 1\n C C3 1 1.28994640 0.31434297 0.15200083 1\n C C4 1 0.87261862 0.45200047 0.48482456 1\n C C5 1 0.78997811 0.81435128 0.15201126 1\n C C6 1 -0.12780873 0.78451165 0.48446671 1\n C C7 1 1.12584091 0.34482469 0.81921673 1\n C C8 1 0.37217737 0.28449346 0.48445055 1\n C C9 1 0.62606511 0.51232483 0.81953977 1\n C C10 1 0.28943310 -0.01784093 0.15282485 1\n C C11 1 -0.21053140 0.48214321 0.15281574 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46486000\n_cell_length_b 5.81379000\n_cell_length_c 6.04829000\n_cell_angle_alpha 62.26402000\n_cell_angle_beta 78.25943000\n_cell_angle_gamma 77.77934000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.42207558\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37652126 0.55023495 -0.08137957 1\n C C1 1 0.21295097 -0.01990897 0.81718528 1\n C C2 1 0.79178895 0.58346433 1.05452066 1\n C C3 1 0.97808934 0.99182079 0.27183995 1\n C C4 1 0.36797951 -0.18264920 0.66884411 1\n C C5 1 -0.08308929 0.86649883 0.52121091 1\n C C6 1 0.52830348 1.04169452 0.12389951 1\n C C7 1 0.71812569 0.44988920 0.33458142 1\n C C8 1 1.10581296 0.27656829 0.73849286 1\n C C9 1 0.52121052 0.30926015 0.87482707 1\n C C10 1 0.68461064 0.87974809 0.97515231 1\n C C11 1 0.17621627 0.41086363 0.45829588 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37742000\n_cell_length_b 3.63139000\n_cell_length_c 5.82964000\n_cell_angle_alpha 77.31595000\n_cell_angle_beta 135.62254000\n_cell_angle_gamma 117.37203000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.71676204\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73721613 0.87988712 0.61075760 1\n C C1 1 0.73876336 0.82118027 0.11258325 1\n C C2 1 0.35734505 0.47639228 0.42059900 1\n C C3 1 0.35919543 0.03547469 -0.07855461 1\n C C4 1 0.35671409 0.09363295 0.42012618 1\n C C5 1 0.73801434 0.43846900 0.11219878 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47973000\n_cell_length_b 5.26201000\n_cell_length_c 3.48276000\n_cell_angle_alpha 81.08620000\n_cell_angle_beta 87.59751000\n_cell_angle_gamma 81.05735000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.22425550\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53686656 0.59015013 1.05580228 1\n C C1 1 0.02152921 0.58943401 0.57538157 1\n C C2 1 0.30829778 0.47054785 0.34435634 1\n C C3 1 0.87122759 0.86934423 0.58493338 1\n C C4 1 0.67601300 0.02596539 0.21093645 1\n C C5 1 0.30088723 0.18885169 0.33389280 1\n C C6 1 -0.02090383 0.17941119 0.01335847 1\n C C7 1 0.17822685 0.02654301 0.70803000 1\n C C8 1 0.82062545 0.44257525 0.85742302 1\n C C9 1 0.55058185 0.86959075 0.90584919 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45786000\n_cell_length_b 3.40380000\n_cell_length_c 5.87753000\n_cell_angle_alpha 74.08757000\n_cell_angle_beta 65.26616000\n_cell_angle_gamma 68.73896000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.18332498\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47408353 0.86397710 0.85730039 1\n C C1 1 0.34015126 0.94042221 0.45455148 1\n C C2 1 0.09357716 0.87971431 0.73060591 1\n C C3 1 0.70130223 0.60269671 0.26123917 1\n C C4 1 0.86716695 0.14149926 0.32650595 1\n C C5 1 0.22711637 0.80419791 0.13351590 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48434000\n_cell_length_b 3.55580000\n_cell_length_c 7.22697000\n_cell_angle_alpha 60.75544000\n_cell_angle_beta 80.09047000\n_cell_angle_gamma 69.57025000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.20074421\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32400415 0.82700840 0.46816704 1\n C C1 1 0.69566825 0.08551639 0.46808088 1\n C C2 1 0.51137622 0.31590536 0.60984768 1\n C C3 1 0.32579130 1.07464173 0.21853973 1\n C C4 1 0.51475911 0.84332356 0.07699960 1\n C C5 1 0.01544359 0.97148052 -0.05161622 1\n C C6 1 0.01179850 0.18702708 0.73870675 1\n C C7 1 0.69752058 0.33272216 0.21847754 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46235000\n_cell_length_b 4.62035000\n_cell_length_c 4.94016000\n_cell_angle_alpha 88.24925000\n_cell_angle_beta 92.60334000\n_cell_angle_gamma 80.41846000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.32108848\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68247020 -0.06600169 0.74076138 1\n C C1 1 0.29082722 0.33525866 0.96672203 1\n C C2 1 0.47054859 1.09352574 0.18300834 1\n C C3 1 0.97887166 0.11616467 0.35406157 1\n C C4 1 0.81892253 0.40059392 0.50741530 1\n C C5 1 0.63469431 0.80904395 0.02954408 1\n C C6 1 0.25899551 0.57830758 0.42849242 1\n C C7 1 0.19704680 0.63114764 0.10849921 1\n C C8 1 0.16558147 0.87424087 0.57010248 1\n C C9 1 0.77593801 0.27521966 0.79619659 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43974000\n_cell_length_b 4.22761000\n_cell_length_c 7.68227000\n_cell_angle_alpha 121.96717000\n_cell_angle_beta 99.18991000\n_cell_angle_gamma 89.95720000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.02490616\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08195342 1.00466278 0.74723195 1\n C C1 1 0.40811849 0.70575570 0.41141058 1\n C C2 1 0.53002941 0.89772491 0.64305369 1\n C C3 1 0.39523441 1.04257044 0.39762417 1\n C C4 1 0.71221155 0.81422649 0.00788250 1\n C C5 1 0.86293953 0.46282607 0.31965092 1\n C C6 1 0.20544294 0.64232976 0.99243660 1\n C C7 1 0.74382914 0.21668875 0.07206658 1\n C C8 1 0.19741325 0.27706172 0.97726181 1\n C C9 1 0.88953317 0.18859589 0.38611070 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.77624000\n_cell_length_b 4.75977000\n_cell_length_c 3.90682000\n_cell_angle_alpha 65.75859000\n_cell_angle_beta 89.96150000\n_cell_angle_gamma 66.91202000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.81484220\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65831624 0.71961536 1.13895286 1\n C C1 1 0.04797268 0.69504507 0.15192826 1\n C C2 1 0.29658434 0.56302501 -0.13539073 1\n C C3 1 1.02711474 0.05072245 0.08415065 1\n C C4 1 0.44359168 -0.03410831 0.30012913 1\n C C5 1 0.40992514 0.85096822 0.71995703 1\n C C6 1 0.62467017 0.22693024 0.16582389 1\n C C7 1 0.08099917 0.18762823 0.68488060 1\n C C8 1 0.67844264 0.36422854 0.42777148 1\n C C9 1 0.26213139 0.44865450 0.55941365 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45180000\n_cell_length_b 7.36527000\n_cell_length_c 5.86395000\n_cell_angle_alpha 53.97613000\n_cell_angle_beta 65.32059000\n_cell_angle_gamma 89.96609000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.36903852\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65747715 0.13193984 0.53474323 1\n C C1 1 0.24571321 0.43016061 0.94459129 1\n C C2 1 -0.12571935 0.75358735 0.81510683 1\n C C3 1 0.84117342 0.36876072 0.84909618 1\n C C4 1 -0.07052792 0.39199880 0.26242628 1\n C C5 1 1.24404283 0.59035084 0.44497988 1\n C C6 1 1.05453139 0.01268113 0.63310462 1\n C C7 1 0.65647115 0.10944200 0.03223336 1\n C C8 1 0.47153407 0.53204762 0.21930777 1\n C C9 1 0.78637879 0.73049936 0.40197801 1\n C C10 1 0.46935291 0.69204028 0.71993242 1\n C C11 1 0.05391005 -0.00976965 0.13038382 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40088000\n_cell_length_b 4.44509000\n_cell_length_c 4.17384000\n_cell_angle_alpha 75.10083000\n_cell_angle_beta 75.50720000\n_cell_angle_gamma 68.60948000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.91018082\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23167098 0.56921770 0.05112201 1\n C C1 1 0.63041443 0.31393791 0.18507298 1\n C C2 1 0.29993782 0.88011464 1.05375906 1\n C C3 1 0.41448963 0.80581166 0.40158303 1\n C C4 1 0.69900070 -0.06187114 0.78684496 1\n C C5 1 0.47474508 0.09905190 0.48806572 1\n C C6 1 0.90160916 1.13555806 0.91910714 1\n C C7 1 0.11661079 0.64392624 0.70343139 1\n C C8 1 0.05627457 0.35095245 0.61630705 1\n C C9 1 0.83197075 0.51174708 0.31762186 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60792000\n_cell_length_b 4.09049000\n_cell_length_c 4.94375000\n_cell_angle_alpha 89.87651000\n_cell_angle_beta 90.36878000\n_cell_angle_gamma 109.83598000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.60819363\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52343342 0.96401579 0.81036564 1\n C C1 1 0.41780503 0.75648618 0.06035456 1\n C C2 1 0.25675581 0.41174768 0.06037234 1\n C C3 1 0.41813442 0.75649052 0.56035465 1\n C C4 1 0.52367815 0.96401368 0.31036691 1\n C C5 1 0.25741830 0.41176218 0.56037392 1\n C C6 1 0.15140096 0.20404886 0.81037473 1\n C C7 1 1.15162861 0.20404591 0.31037465 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.88605000\n_cell_length_b 4.10546000\n_cell_length_c 4.67761000\n_cell_angle_alpha 113.85961000\n_cell_angle_beta 74.97534000\n_cell_angle_gamma 120.25789000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.67341391\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.09207937 0.18236611 0.81629233 1\n C C1 1 0.31510222 0.39727631 0.62548465 1\n C C2 1 0.75310177 0.34058778 0.12609536 1\n C C3 1 0.34590621 0.12604074 0.31701414 1\n C C4 1 0.96615763 0.74425236 0.31630585 1\n C C5 1 0.69498765 0.77894311 0.62604477 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48060000\n_cell_length_b 5.03712000\n_cell_length_c 5.04295000\n_cell_angle_alpha 114.32123000\n_cell_angle_beta 89.98944000\n_cell_angle_gamma 90.02409000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.41978363\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30216258 0.31217448 0.84883149 1\n C C1 1 0.80221623 0.82410881 0.62697073 1\n C C2 1 0.80238495 0.41384380 0.74686704 1\n C C3 1 0.30214567 0.52917897 0.16478648 1\n C C4 1 -0.19790371 0.53182006 0.33561988 1\n C C5 1 0.80243693 0.27205826 0.42067236 1\n C C6 1 0.80232253 0.74077135 0.88895643 1\n C C7 1 0.30237844 0.99552304 0.62952690 1\n C C8 1 0.30237066 0.80489074 1.08161229 1\n C C9 1 0.30241112 0.07932159 0.35676030 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52385000\n_cell_length_b 4.36656000\n_cell_length_c 4.45024000\n_cell_angle_alpha 73.88158000\n_cell_angle_beta 80.83146000\n_cell_angle_gamma 85.88958000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.49469834\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54745497 0.94777667 0.09110138 1\n C C1 1 0.77141750 0.97110216 0.74688295 1\n C C2 1 0.92973528 0.40849738 0.23230122 1\n C C3 1 0.71684674 0.25868935 0.56283765 1\n C C4 1 0.01038248 0.76815159 0.25201602 1\n C C5 1 0.46745619 0.31561202 0.07663088 1\n C C6 1 0.49180480 0.49563263 0.72748228 1\n C C7 1 -0.02830325 0.70230590 0.61775050 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42660000\n_cell_length_b 4.16050000\n_cell_length_c 6.88338000\n_cell_angle_alpha 115.43324000\n_cell_angle_beta 100.20050000\n_cell_angle_gamma 90.03712000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.53642424\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48804593 0.69848474 0.73896977 1\n C C1 1 0.69533635 0.63398687 1.14622227 1\n C C2 1 0.14285258 0.49938620 0.04194949 1\n C C3 1 1.02368252 0.24995566 0.80492290 1\n C C4 1 0.35332440 0.06774040 0.46151884 1\n C C5 1 0.80146627 0.93000821 0.35790515 1\n C C6 1 0.46941948 0.32048767 0.69833768 1\n C C7 1 1.00056667 0.87177855 0.76411140 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56309000\n_cell_length_b 4.23570000\n_cell_length_c 6.06329000\n_cell_angle_alpha 104.05281000\n_cell_angle_beta 95.52417000\n_cell_angle_gamma 104.07272000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.09000842\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74295983 0.43684724 0.60366139 1\n C C1 1 0.96239854 0.94946685 1.01518281 1\n C C2 1 0.99736257 0.62480551 0.01856699 1\n C C3 1 -0.11712918 0.36378731 0.80842100 1\n C C4 1 0.04080983 0.20339858 0.24192603 1\n C C5 1 0.34714157 0.82573450 0.43939846 1\n C C6 1 0.13746487 0.55178632 0.22313105 1\n C C7 1 0.53252744 0.16277696 0.38744198 1\n C C8 1 0.83828760 0.78501166 0.58512019 1\n C C9 1 0.91645213 1.03887539 0.81202519 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43204000\n_cell_length_b 3.89740000\n_cell_length_c 6.35188000\n_cell_angle_alpha 107.87346000\n_cell_angle_beta 90.01855000\n_cell_angle_gamma 90.02691000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.30132742\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79437400 0.70205621 0.47860144 1\n C C1 1 0.29436157 1.11769228 1.06141535 1\n C C2 1 0.79435834 0.36829932 0.81171963 1\n C C3 1 0.79435986 0.20456298 0.97978081 1\n C C4 1 0.29437315 0.61646811 0.56080156 1\n C C5 1 0.29437490 0.95257311 0.22884313 1\n C C6 1 0.79437701 -0.13416208 0.31049017 1\n C C7 1 1.29435877 0.45406887 0.72955481 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.59120000\n_cell_length_b 3.64835000\n_cell_length_c 5.44917000\n_cell_angle_alpha 109.60809000\n_cell_angle_beta 117.51045000\n_cell_angle_gamma 89.95151000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.30084418\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.19000861 0.65338773 0.28311247 1\n C C1 1 0.69354673 0.59573922 0.78436871 1\n C C2 1 0.69356320 0.21122800 0.78458635 1\n C C3 1 -0.00045025 0.25058579 0.09279208 1\n C C4 1 0.50260584 0.80849437 0.59402066 1\n C C5 1 -0.00057632 0.86587318 0.09269283 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.81528000\n_cell_length_b 3.63919000\n_cell_length_c 5.63865000\n_cell_angle_alpha 78.27496000\n_cell_angle_beta 94.38517000\n_cell_angle_gamma 67.72522000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.23471819\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65643812 0.80959184 0.93593460 1\n C C1 1 0.47936793 1.03431801 0.44649423 1\n C C2 1 0.65608614 0.19156945 0.93617628 1\n C C3 1 0.78732447 0.76122914 0.44876840 1\n C C4 1 0.28738341 0.82284817 0.44356011 1\n C C5 1 0.46568847 0.59428846 -0.06111689 1\n C C6 1 0.15594792 0.74900386 0.93919537 1\n C C7 1 0.78728308 0.37965681 0.44807572 1\n C C8 1 0.97821802 0.97680620 0.44479331 1\n C C9 1 0.47901320 0.41701580 0.44550796 1\n C C10 1 -0.03503694 0.15393647 0.93821469 1\n C C11 1 -0.03513332 0.53622659 0.93784163 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50994000\n_cell_length_b 4.93422000\n_cell_length_c 4.80661000\n_cell_angle_alpha 112.39161000\n_cell_angle_beta 90.01404000\n_cell_angle_gamma 120.54423000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.97633119\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11112728 0.00761835 0.69989393 1\n C C1 1 0.45118788 0.34738996 0.38004821 1\n C C2 1 0.34217198 0.73848049 0.89614781 1\n C C3 1 0.70926989 0.10573278 0.89642561 1\n C C4 1 0.36937894 0.76581750 0.21689982 1\n C C5 1 0.74413206 0.64049119 0.69973798 1\n C C6 1 0.08442760 0.98095089 0.38001769 1\n C C7 1 0.00301669 0.39920284 0.21694715 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48793000\n_cell_length_b 2.48797000\n_cell_length_c 6.57744000\n_cell_angle_alpha 67.73945000\n_cell_angle_beta 100.94281000\n_cell_angle_gamma 120.02617000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62262598\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54051696 0.11195213 0.22696473 1\n C C1 1 0.20697754 0.77913197 0.89309965 1\n C C2 1 0.54051993 0.86121524 0.47711057 1\n C C3 1 0.87393528 0.44505552 0.55994376 1\n C C4 1 0.87359295 1.19560050 0.80990926 1\n C C5 1 0.20710754 0.52892725 0.14339163 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46477000\n_cell_length_b 6.50726000\n_cell_length_c 10.24269000\n_cell_angle_alpha 81.98696000\n_cell_angle_beta 70.50664000\n_cell_angle_gamma 79.26746000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 151.62561874\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24303704 0.33457514 0.54622416 1\n C C1 1 0.48655402 0.48392072 0.25031065 1\n C C2 1 -0.27324858 1.16939665 -0.02983138 1\n C C3 1 -0.12979376 0.95011915 0.94724058 1\n C C4 1 1.15206493 0.15056636 0.25133401 1\n C C5 1 0.91640706 -0.01387685 0.55072569 1\n C C6 1 1.05937817 0.76647668 0.52932572 1\n C C7 1 0.18251680 0.27405536 -0.03495811 1\n C C8 1 0.31988280 0.92563918 0.81072710 1\n C C9 1 0.70906785 1.03948190 0.25058276 1\n C C10 1 0.09029135 0.49683148 -0.04566622 1\n C C11 1 0.69772246 0.43909066 0.54386007 1\n C C12 1 0.37852678 0.70644622 0.24799111 1\n C C13 1 0.46358286 0.01129017 0.68728820 1\n C C14 1 1.33663560 0.10866714 0.56240812 1\n C C15 1 -0.17615429 0.81864741 0.24711501 1\n C C16 1 1.04114967 0.37245585 0.25078528 1\n C C17 1 0.60197622 0.66154099 0.53385506 1\n C C18 1 0.45068870 0.82754361 0.93500059 1\n C C19 1 0.54153292 0.60150828 -0.04837733 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42632000\n_cell_length_b 6.52966000\n_cell_length_c 6.85595000\n_cell_angle_alpha 67.87481000\n_cell_angle_beta 90.64096000\n_cell_angle_gamma 79.94801000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 98.72324622\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80891100 0.07798082 0.54407227 1\n C C1 1 0.58548263 0.51037226 0.90269608 1\n C C2 1 0.24372936 0.16802294 0.94125686 1\n C C3 1 0.45153523 0.74996412 0.27922163 1\n C C4 1 0.26226260 0.17393521 0.45100479 1\n C C5 1 0.46404704 0.75929263 0.79018050 1\n C C6 1 0.63918528 0.41431399 0.13791287 1\n C C7 1 0.53719594 0.58345006 0.48820817 1\n C C8 1 0.12582422 0.41755730 0.82881426 1\n C C9 1 0.17771739 0.34113108 0.24269160 1\n C C10 1 0.90249153 0.84703104 0.18588248 1\n C C11 1 0.07332788 0.51291654 0.59365420 1\n C C12 1 -0.08913679 0.86861964 0.71757046 1\n C C13 1 0.79747158 0.05731656 0.01328395 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.22737000\n_cell_length_b 5.85287000\n_cell_length_c 4.32579000\n_cell_angle_alpha 56.89740000\n_cell_angle_beta 74.92102000\n_cell_angle_gamma 55.76430000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.45796414\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28071610 0.74048718 0.63532818 1\n C C1 1 0.37795282 0.19354816 0.63304980 1\n C C2 1 0.28272791 0.05833184 0.00336242 1\n C C3 1 0.38036454 0.51102318 0.00109723 1\n C C4 1 0.82909476 0.03227202 0.50519652 1\n C C5 1 0.07597368 0.50535641 0.31920602 1\n C C6 1 0.83213300 0.21948794 0.13155775 1\n C C7 1 0.58459021 0.74635818 0.31706807 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43118000\n_cell_length_b 5.93221000\n_cell_length_c 6.34048000\n_cell_angle_alpha 85.47954000\n_cell_angle_beta 78.91782000\n_cell_angle_gamma 65.75093000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.82113096\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04452784 0.85801899 0.49560689 1\n C C1 1 0.40695228 -0.01595301 0.51957097 1\n C C2 1 0.56122064 0.18195138 0.81757938 1\n C C3 1 -0.14853992 0.48710392 0.62707389 1\n C C4 1 0.32263967 0.57495928 0.50813860 1\n C C5 1 0.37679861 0.81296655 -0.07576355 1\n C C6 1 0.26037297 0.41669403 0.95064081 1\n C C7 1 0.54244063 0.46523854 0.28914270 1\n C C8 1 0.13089722 0.42731742 0.18713232 1\n C C9 1 0.66538463 0.55093147 0.87128019 1\n C C10 1 0.75664797 0.93654813 0.91868797 1\n C C11 1 1.11135956 0.20571140 0.67028854 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42229000\n_cell_length_b 4.16781000\n_cell_length_c 4.80338000\n_cell_angle_alpha 95.09765000\n_cell_angle_beta 119.88566000\n_cell_angle_gamma 89.56378000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.84061212\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41270153 0.62929883 0.60124368 1\n C C1 1 0.01400211 0.03278768 0.19597924 1\n C C2 1 0.36289557 0.07370347 0.04514890 1\n C C3 1 1.01443893 0.13291368 0.69992773 1\n C C4 1 0.95293891 0.47797862 0.64066186 1\n C C5 1 0.35851524 0.97427953 0.54119770 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46336000\n_cell_length_b 4.47899000\n_cell_length_c 9.05970000\n_cell_angle_alpha 68.42301000\n_cell_angle_beta 88.05948000\n_cell_angle_gamma 78.63226000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.04890807\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75586085 0.49386402 0.01301687 1\n C C1 1 0.54322325 0.82347869 0.90577551 1\n C C2 1 0.45269136 0.07006043 0.97358215 1\n C C3 1 0.45101354 0.00525123 0.15104009 1\n C C4 1 0.91194508 0.43863061 0.74186182 1\n C C5 1 0.88886733 0.17449140 0.67114865 1\n C C6 1 -0.28614369 0.37777420 0.50720010 1\n C C7 1 0.28357946 0.38158948 0.12013944 1\n C C8 1 0.20911895 0.45590282 0.26922918 1\n C C9 1 0.42309191 -0.05716249 0.73169613 1\n C C10 1 0.00783195 0.83764335 0.24161338 1\n C C11 1 0.76633668 0.28722051 0.36670582 1\n C C12 1 0.93119730 0.90385263 0.40195463 1\n C C13 1 0.41124270 0.66407659 0.67411114 1\n C C14 1 0.47709299 0.72799281 0.49482779 1\n C C15 1 0.89196375 0.28123423 -0.08261100 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43217000\n_cell_length_b 4.57708000\n_cell_length_c 7.28640000\n_cell_angle_alpha 39.53175000\n_cell_angle_beta 59.89614000\n_cell_angle_gamma 58.31877000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.23289826\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20683164 0.03110383 0.25683522 1\n C C1 1 0.53937316 1.03342507 0.70026392 1\n C C2 1 0.20683164 1.03110383 -0.07649812 1\n C C3 1 1.20683164 0.03110383 0.59016855 1\n C C4 1 0.53937316 1.03342507 0.03359725 1\n C C5 1 0.53937316 0.03342507 0.36693058 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49168000\n_cell_length_b 5.41737000\n_cell_length_c 5.72833000\n_cell_angle_alpha 114.34896000\n_cell_angle_beta 90.01594000\n_cell_angle_gamma 89.99164000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.44523278\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.32866747 0.81064111 0.47524617 1\n C C1 1 0.67187836 0.02990182 0.35245720 1\n C C2 1 0.17150076 -0.04147309 0.90675301 1\n C C3 1 1.17147399 0.78998050 0.62359546 1\n C C4 1 0.17094120 0.36983770 0.26206113 1\n C C5 1 0.67073302 0.52767500 0.26995236 1\n C C6 1 0.17164348 0.51214533 0.66913617 1\n C C7 1 0.17071706 0.24413009 0.97601750 1\n C C8 1 0.67167094 0.56454216 0.83433492 1\n C C9 1 0.67071796 0.39402737 0.97253304 1\n C C10 1 0.17177493 0.21710503 0.42369552 1\n C C11 1 0.67186618 0.87740969 1.01601342 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.25974000\n_cell_length_b 3.34402000\n_cell_length_c 4.99565000\n_cell_angle_alpha 83.79604000\n_cell_angle_beta 85.06068000\n_cell_angle_gamma 57.95221000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.92856910\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79812567 0.23844483 0.07191846 1\n C C1 1 0.23614088 0.26025929 0.34105700 1\n C C2 1 0.62322350 0.20147861 0.33345418 1\n C C3 1 0.28880955 0.93014674 0.60177819 1\n C C4 1 0.30494390 0.22891606 0.82154888 1\n C C5 1 0.63950069 0.49932822 0.55459066 1\n C C6 1 0.13029709 0.19219498 0.08305146 1\n C C7 1 0.69215144 1.16932317 0.81464967 1\n C C8 1 0.03666247 0.74977213 0.69501281 1\n C C9 1 0.89144670 0.67999096 0.46027969 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46026000\n_cell_length_b 3.39261000\n_cell_length_c 6.02122000\n_cell_angle_alpha 61.52269000\n_cell_angle_beta 101.74143000\n_cell_angle_gamma 111.14555000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17155496\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37289740 0.27716009 0.58900865 1\n C C1 1 -0.03078852 0.34451488 0.71596418 1\n C C2 1 0.82811349 0.58990281 0.18665487 1\n C C3 1 0.19961429 0.73425069 0.78409258 1\n C C4 1 0.79592624 -0.19859474 0.91112038 1\n C C5 1 0.34159189 0.48865997 0.31354295 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43080000\n_cell_length_b 5.78596000\n_cell_length_c 4.20530000\n_cell_angle_alpha 73.93005000\n_cell_angle_beta 89.93720000\n_cell_angle_gamma 92.35387000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.78160722\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96625071 0.89594086 0.01913927 1\n C C1 1 0.46610569 0.89390710 0.85280004 1\n C C2 1 0.96610569 0.89390710 0.35280004 1\n C C3 1 0.04583139 0.39412104 0.83025332 1\n C C4 1 0.04597591 0.39614845 0.49654776 1\n C C5 1 0.54583139 0.39412104 0.33025332 1\n C C6 1 0.46625071 0.89594086 0.51913927 1\n C C7 1 0.54597591 0.39614845 -0.00345224 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48172000\n_cell_length_b 5.57139000\n_cell_length_c 3.66736000\n_cell_angle_alpha 109.26431000\n_cell_angle_beta 89.98745000\n_cell_angle_gamma 102.85467000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.52049999\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62852073 0.93732646 0.23846695 1\n C C1 1 0.12855905 0.93723420 -0.00074334 1\n C C2 1 0.24033956 0.16180024 0.85088465 1\n C C3 1 0.36370694 0.40349226 0.23291419 1\n C C4 1 0.74036932 0.16159992 0.61164041 1\n C C5 1 0.47181439 0.62787593 0.08352829 1\n C C6 1 0.86368924 0.40358997 0.47144299 1\n C C7 1 -0.02797825 0.62789852 0.84531645 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.12874000\n_cell_length_b 3.39920000\n_cell_length_c 11.09542000\n_cell_angle_alpha 84.73527000\n_cell_angle_beta 85.46705000\n_cell_angle_gamma 77.90533000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 151.33257854\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.22695054 -0.15736052 0.15563563 1\n C C1 1 0.75540296 0.64809540 0.24268323 1\n C C2 1 0.26373965 0.57586268 0.94655942 1\n C C3 1 0.64332338 0.25557680 0.08301642 1\n C C4 1 0.83677251 0.15999789 0.43566839 1\n C C5 1 0.48819762 0.03386613 0.18597508 1\n C C6 1 0.56035540 0.29088567 0.95482710 1\n C C7 1 0.32823478 0.26839712 0.29652859 1\n C C8 1 0.91234417 0.96819375 0.65640593 1\n C C9 1 1.08562088 0.69705899 0.27106881 1\n C C10 1 0.73409603 0.68622110 0.60004477 1\n C C11 1 0.86016094 0.46499026 0.12287309 1\n C C12 1 0.96889350 0.30830911 0.55335440 1\n C C13 1 0.60118741 0.43692626 0.35072455 1\n C C14 1 0.57274727 -0.03838733 0.50304699 1\n C C15 1 0.39615247 0.69675415 0.44350598 1\n C C16 1 0.18068185 0.75584051 0.72974730 1\n C C17 1 -0.24210042 0.09079973 0.85780557 1\n C C18 1 0.08113798 0.79029588 0.84946218 1\n C C19 1 1.13816127 -0.04568492 0.36803676 1\n C C20 1 0.11658510 0.65064859 0.06698994 1\n C C21 1 0.66205210 0.17316566 0.74179547 1\n C C22 1 0.32713744 0.35571002 0.54519312 1\n C C23 1 0.45630887 0.49372855 0.66811286 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48275000\n_cell_length_b 3.97988000\n_cell_length_c 8.09199000\n_cell_angle_alpha 85.43848000\n_cell_angle_beta 89.99754000\n_cell_angle_gamma 90.00484000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 79.70407008\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28674916 1.13114672 0.73726084 1\n C C1 1 0.28667407 0.87048175 0.22888865 1\n C C2 1 0.78666515 0.87725421 0.32588367 1\n C C3 1 0.28675064 -0.03576552 0.57624953 1\n C C4 1 0.78653178 0.71449909 0.99636690 1\n C C5 1 0.78675443 -0.05715543 0.48468818 1\n C C6 1 -0.21341967 1.09551341 0.99369163 1\n C C7 1 0.78668837 0.62033525 0.81726618 1\n C C8 1 0.28659761 0.18757140 0.08982169 1\n C C9 1 0.78677781 0.24969425 0.81404428 1\n C C10 1 0.28669243 0.76446350 0.74265718 1\n C C11 1 0.28652631 0.59126157 0.09321567 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43372000\n_cell_length_b 3.21839000\n_cell_length_c 6.40109000\n_cell_angle_alpha 91.24155000\n_cell_angle_beta 100.74554000\n_cell_angle_gamma 116.28586000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.85456880\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75174386 0.57418169 0.01918875 1\n C C1 1 0.53091847 0.57750695 0.57489426 1\n C C2 1 0.86324495 0.57617412 0.24119020 1\n C C3 1 0.08627143 0.57575026 0.68603876 1\n C C4 1 0.41999023 0.57616187 0.35291802 1\n C C5 1 1.19603366 0.57544342 0.90801622 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48757000\n_cell_length_b 4.30259000\n_cell_length_c 6.57747000\n_cell_angle_alpha 109.11537000\n_cell_angle_beta 100.87963000\n_cell_angle_gamma 89.99660000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.17652640\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52948086 -0.01140286 0.18568174 1\n C C1 1 0.02975146 0.48858142 0.18564792 1\n C C2 1 0.73705497 0.53069561 0.60260477 1\n C C3 1 0.36317366 1.15570888 0.85279454 1\n C C4 1 0.19610638 0.32219590 0.51902567 1\n C C5 1 0.69582235 0.82220991 0.51903610 1\n C C6 1 0.86318995 0.65571033 0.85275924 1\n C C7 1 0.40378229 0.86383764 0.93572935 1\n C C8 1 0.07025724 0.19688302 0.26882110 1\n C C9 1 0.90382822 0.36382674 -0.06429378 1\n C C10 1 0.57050035 0.69688152 0.26881234 1\n C C11 1 0.23675055 1.03070579 0.60265562 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.12079000\n_cell_length_b 6.11516000\n_cell_length_c 4.72785000\n_cell_angle_alpha 48.05512000\n_cell_angle_beta 54.00392000\n_cell_angle_gamma 60.25373000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.76886153\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20270970 0.30438672 0.49654063 1\n C C1 1 -0.00258622 1.09898484 0.71804472 1\n C C2 1 0.31629576 0.41741479 0.08300614 1\n C C3 1 0.83749457 0.93743212 0.14559640 1\n C C4 1 0.99684748 0.09959863 0.40390058 1\n C C5 1 0.83809440 -0.06291207 0.45949852 1\n C C6 1 0.30650760 0.40728513 0.59823876 1\n C C7 1 0.52976327 0.62849496 0.26527848 1\n C C8 1 0.63331156 0.73159632 0.85430254 1\n C C9 1 0.20273438 0.30438996 0.00921843 1\n C C10 1 0.52008916 0.61803342 0.78089995 1\n C C11 1 0.63296215 0.73156427 0.36721654 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46456000\n_cell_length_b 3.38452000\n_cell_length_c 5.81859000\n_cell_angle_alpha 82.76429000\n_cell_angle_beta 64.90037000\n_cell_angle_gamma 68.69145000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.92428028\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29493546 0.18285679 0.19114638 1\n C C1 1 0.26579370 0.43814572 0.59143946 1\n C C2 1 0.94097437 0.14195584 0.06556803 1\n C C3 1 0.24994389 0.07190603 0.79036331 1\n C C4 1 -0.01793785 0.25487931 0.46620951 1\n C C5 1 0.96656782 0.88843911 0.66499310 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43077000\n_cell_length_b 3.82027000\n_cell_length_c 5.88674000\n_cell_angle_alpha 125.18199000\n_cell_angle_beta 81.14686000\n_cell_angle_gamma 87.73527000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.58745058\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38791094 0.75905738 1.11184372 1\n C C1 1 1.05457761 1.09239071 0.77851038 1\n C C2 1 0.72124428 0.42572405 0.44517705 1\n C C3 1 0.49939169 0.31496362 0.88871922 1\n C C4 1 0.16605836 0.64829695 0.55538588 1\n C C5 1 0.83272502 0.98163029 0.22205255 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.12234000\n_cell_length_b 4.04738000\n_cell_length_c 7.39371000\n_cell_angle_alpha 78.71514000\n_cell_angle_beta 96.44336000\n_cell_angle_gamma 107.80902000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.10189908\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46063615 0.76439189 0.29033687 1\n C C1 1 0.62107139 0.61049138 0.60948585 1\n C C2 1 0.04183944 0.18530189 0.45519592 1\n C C3 1 0.72635011 0.50167123 0.80542813 1\n C C4 1 -0.20563276 0.09406800 0.29032636 1\n C C5 1 0.31048285 -0.07886117 0.96142498 1\n C C6 1 0.63813692 0.24995036 0.96056874 1\n C C7 1 1.05947508 0.82551970 0.80600612 1\n C C8 1 1.22182100 0.67128603 0.12511848 1\n C C9 1 -0.04637165 0.93396322 0.61019387 1\n C C10 1 0.88985529 0.33952442 0.12520970 1\n C C11 1 0.36913648 0.51508435 0.45420558 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47234000\n_cell_length_b 5.64918000\n_cell_length_c 4.98862000\n_cell_angle_alpha 78.12915000\n_cell_angle_beta 84.57576000\n_cell_angle_gamma 86.17496000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.79919588\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36999068 0.76902256 0.72921556 1\n C C1 1 0.54732409 0.31314586 0.97622600 1\n C C2 1 0.17191599 0.23696832 0.81345570 1\n C C3 1 0.41783686 0.56825048 0.98499993 1\n C C4 1 0.31145493 0.35947058 0.50559293 1\n C C5 1 0.31006471 -0.03242365 0.89394145 1\n C C6 1 0.86900667 0.62782087 0.13415445 1\n C C7 1 0.88257407 1.00387201 0.32687155 1\n C C8 1 0.82546420 0.89754056 0.07324707 1\n C C9 1 0.83184726 0.52530062 0.43544347 1\n C C10 1 0.88287244 0.76693172 0.55871114 1\n C C11 1 0.38983580 0.17084338 0.30475595 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51748000\n_cell_length_b 2.48733000\n_cell_length_c 4.30463000\n_cell_angle_alpha 73.19474000\n_cell_angle_beta 65.88826000\n_cell_angle_gamma 89.98564000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60697915\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82968962 0.51119914 0.04923944 1\n C C1 1 0.41310395 0.34451506 0.38259122 1\n C C2 1 0.74643728 0.67784839 0.71592456 1\n C C3 1 0.16302295 0.84453248 0.38257278 1\n C C4 1 0.07977061 0.01118172 0.04925789 1\n C C5 1 0.49635629 1.17786581 0.71590611 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40465000\n_cell_length_b 3.35356000\n_cell_length_c 4.57628000\n_cell_angle_alpha 68.61159000\n_cell_angle_beta 90.53916000\n_cell_angle_gamma 92.11021000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.61861808\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92075463 0.56521957 0.69210988 1\n C C1 1 0.44377619 0.93913254 0.97819887 1\n C C2 1 0.27623459 0.16587804 0.19180390 1\n C C3 1 0.77622481 0.67801598 0.16775665 1\n C C4 1 0.63437883 0.26500028 0.69294808 1\n C C5 1 0.11081155 0.60476286 0.97770639 1\n C C6 1 0.62203609 0.24380793 0.37289413 1\n C C7 1 0.92945531 0.90768339 0.37273751 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48327000\n_cell_length_b 5.01021000\n_cell_length_c 4.05095000\n_cell_angle_alpha 66.15854000\n_cell_angle_beta 101.02907000\n_cell_angle_gamma 94.39484000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.24843042\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23706277 0.38555379 0.17789586 1\n C C1 1 0.10789263 0.10140816 0.13033260 1\n C C2 1 0.42685750 0.90981527 0.83640264 1\n C C3 1 0.73784679 0.62635823 0.55804309 1\n C C4 1 0.60822730 0.91001713 0.22626430 1\n C C5 1 0.29100944 0.62645458 0.78799634 1\n C C6 1 0.79037117 0.38546126 0.40947458 1\n C C7 1 0.92661879 0.10139587 0.74074738 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56416000\n_cell_length_b 2.47923000\n_cell_length_c 5.72735000\n_cell_angle_alpha 77.55583000\n_cell_angle_beta 89.18708000\n_cell_angle_gamma 90.04698000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.55033028\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01270991 0.56780250 0.32456833 1\n C C1 1 0.48357964 0.91688135 0.62993598 1\n C C2 1 0.98823583 0.99524173 0.46955099 1\n C C3 1 0.97300042 0.26193365 0.94536278 1\n C C4 1 0.47943915 0.34059548 0.78458080 1\n C C5 1 -0.02739484 0.68959040 1.08950261 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45989000\n_cell_length_b 3.39564000\n_cell_length_c 6.01607000\n_cell_angle_alpha 70.90348000\n_cell_angle_beta 78.17885000\n_cell_angle_gamma 111.21584000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17976895\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66204219 0.16569185 0.82196609 1\n C C1 1 0.04794294 1.06385147 0.94882239 1\n C C2 1 0.80532391 0.85260935 0.22442956 1\n C C3 1 0.43753450 0.31101840 0.41909295 1\n C C4 1 0.90691694 0.37799478 0.54641780 1\n C C5 1 0.27635312 -0.07912115 0.35126181 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31123000\n_cell_length_b 5.85600000\n_cell_length_c 3.39780000\n_cell_angle_alpha 80.46568000\n_cell_angle_beta 87.40969000\n_cell_angle_gamma 64.34186000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.54210345\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14531567 0.80540954 0.50320135 1\n C C1 1 0.77707052 0.06752641 0.57788129 1\n C C2 1 0.22349970 0.47930504 0.07385084 1\n C C3 1 0.42785131 0.64903409 0.87390908 1\n C C4 1 0.59377252 0.20577312 0.16402201 1\n C C5 1 0.44201705 1.05069999 0.93721146 1\n C C6 1 0.94456293 0.63119323 0.37907828 1\n C C7 1 0.48696363 0.79881097 0.16960480 1\n C C8 1 -0.04784306 0.20529938 0.83269673 1\n C C9 1 -0.10920617 0.48063974 0.76095095 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26297000\n_cell_length_b 4.23176000\n_cell_length_c 4.24270000\n_cell_angle_alpha 59.99493000\n_cell_angle_beta 49.72703000\n_cell_angle_gamma 56.15106000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.20436186\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00233797 0.95743601 1.01710725 1\n C C1 1 0.82824590 0.33846747 0.75003131 1\n C C2 1 0.99807161 0.95693711 0.37828823 1\n C C3 1 0.82992161 0.33810048 0.43271572 1\n C C4 1 0.65968275 0.72031505 0.80437154 1\n C C5 1 0.66004470 0.71968658 0.16554815 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33591000\n_cell_length_b 4.66555000\n_cell_length_c 4.87379000\n_cell_angle_alpha 126.62365000\n_cell_angle_beta 87.41564000\n_cell_angle_gamma 78.55192000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.36473704\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.16384318 0.81909979 0.44323585 1\n C C1 1 0.27737897 0.13594112 -0.00467498 1\n C C2 1 0.80727129 0.32342597 0.46931021 1\n C C3 1 0.52567449 0.13710311 0.75543962 1\n C C4 1 0.28496236 0.82097129 0.99222702 1\n C C5 1 -0.03267538 0.45389315 0.30771367 1\n C C6 1 0.51929568 0.45196025 0.75934310 1\n C C7 1 -0.00557474 -0.05037639 0.28106041 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49497000\n_cell_length_b 5.58049000\n_cell_length_c 5.00214000\n_cell_angle_alpha 109.37067000\n_cell_angle_beta 89.94357000\n_cell_angle_gamma 116.50184000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.90064757\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59429923 0.59963593 0.79201224 1\n C C1 1 0.44818120 0.95431243 0.64892299 1\n C C2 1 0.28060095 0.78570059 0.33136054 1\n C C3 1 1.31960178 0.32650077 0.51890507 1\n C C4 1 0.40620338 0.41406595 0.97587362 1\n C C5 1 0.44971566 -0.04496088 0.16301022 1\n C C6 1 0.13354439 0.14117815 0.70239331 1\n C C7 1 0.76703438 0.27303710 0.33202317 1\n C C8 1 -0.04048762 0.46761742 0.16239115 1\n C C9 1 0.28116586 0.78669064 0.84588110 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43107000\n_cell_length_b 6.12608000\n_cell_length_c 8.49043000\n_cell_angle_alpha 134.10115000\n_cell_angle_beta 89.95924000\n_cell_angle_gamma 101.47025000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.27038048\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36336387 0.88171830 0.80078908 1\n C C1 1 0.33275837 0.83191607 0.94948301 1\n C C2 1 0.86328786 -0.11825054 0.72224306 1\n C C3 1 0.90285999 0.97362114 0.09447217 1\n C C4 1 0.40252908 0.97323342 0.52057157 1\n C C5 1 0.07581476 0.32382091 0.25062011 1\n C C6 1 0.87941714 0.92465551 0.24374373 1\n C C7 1 0.37954629 -0.07503975 0.32238005 1\n C C8 1 1.15424869 0.48155623 0.79375600 1\n C C9 1 0.83277839 0.83208967 0.52356224 1\n C C10 1 0.65454488 0.48145976 0.32966356 1\n C C11 1 0.57546879 0.32381448 0.71489273 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55084000\n_cell_length_b 2.45982000\n_cell_length_c 6.29819000\n_cell_angle_alpha 101.27704000\n_cell_angle_beta 103.08504000\n_cell_angle_gamma 89.88250000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 37.71250498\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29571664 0.78055068 0.97915802 1\n C C1 1 0.46709040 0.45916244 0.33939585 1\n C C2 1 0.52190481 1.01871895 0.45726459 1\n C C3 1 0.63104547 1.13205383 0.68731221 1\n C C4 1 0.36295390 0.34633344 0.11003616 1\n C C5 1 0.69980018 0.69900336 0.81899307 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48760000\n_cell_length_b 3.51770000\n_cell_length_c 4.30464000\n_cell_angle_alpha 114.10600000\n_cell_angle_beta 106.76698000\n_cell_angle_gamma 90.00289000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62075008\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00786316 0.98731705 0.54756761 1\n C C1 1 1.17457694 0.90429535 0.88093619 1\n C C2 1 0.50791027 0.23762868 0.54760285 1\n C C3 1 0.67452983 0.65398372 0.88090095 1\n C C4 1 0.84124361 0.57096202 0.21426952 1\n C C5 1 0.34119649 0.32065038 0.21423428 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37958000\n_cell_length_b 4.18042000\n_cell_length_c 7.31683000\n_cell_angle_alpha 79.86628000\n_cell_angle_beta 102.31896000\n_cell_angle_gamma 70.52984000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.72824613\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38250241 0.40488073 0.68801848 1\n C C1 1 0.30847008 0.81535061 0.05278850 1\n C C2 1 0.97583152 0.20617709 0.03467073 1\n C C3 1 0.74164483 0.46254783 0.84157565 1\n C C4 1 0.43851302 0.49868982 0.48183913 1\n C C5 1 0.66976088 0.80865590 0.23469712 1\n C C6 1 0.72122831 0.15646917 0.17927926 1\n C C7 1 1.01989760 0.62957307 0.74918086 1\n C C8 1 0.26593947 0.44175006 0.13365201 1\n C C9 1 0.32000527 1.07301290 0.68276882 1\n C C10 1 0.68649578 0.91155410 0.58831360 1\n C C11 1 0.86946740 0.17322739 0.52805122 1\n C C12 1 0.35666304 0.78042036 0.85424495 1\n C C13 1 0.02552773 0.15347745 0.35595149 1\n C C14 1 0.10502305 0.48054076 0.30724981 1\n C C15 1 0.46515531 0.83869234 0.41021316 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05111000\n_cell_length_b 3.80152000\n_cell_length_c 5.67594000\n_cell_angle_alpha 81.75211000\n_cell_angle_beta 79.39787000\n_cell_angle_gamma 65.73932000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.82625269\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26016977 0.85425708 0.82321739 1\n C C1 1 0.75771303 0.34796018 0.05382682 1\n C C2 1 0.12302549 -0.01634037 0.05310416 1\n C C3 1 0.63298980 0.48182122 0.82253582 1\n C C4 1 0.25154731 0.85153431 0.28396344 1\n C C5 1 -0.05564272 0.16834483 0.67330005 1\n C C6 1 0.62516998 0.47888971 0.28331866 1\n C C7 1 0.94543134 0.16597214 0.43340956 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.06259000\n_cell_length_b 4.82994000\n_cell_length_c 3.08225000\n_cell_angle_alpha 120.61736000\n_cell_angle_beta 70.56887000\n_cell_angle_gamma 124.31797000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.89961873\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33902636 0.25825824 0.73982424 1\n C C1 1 0.67449127 0.59204157 0.74263885 1\n C C2 1 0.67285811 0.92501360 1.07395586 1\n C C3 1 1.00796863 0.25885107 1.07611588 1\n C C4 1 0.34073462 -0.07464927 0.40856558 1\n C C5 1 0.00623880 0.59182858 0.40723328 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.78449000\n_cell_length_b 3.63937000\n_cell_length_c 5.05094000\n_cell_angle_alpha 112.19231000\n_cell_angle_beta 110.90746000\n_cell_angle_gamma 88.13638000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.96238893\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75471049 -0.01385590 0.25801689 1\n C C1 1 0.24804377 0.04596681 0.75815500 1\n C C2 1 0.94496122 0.39164023 0.44916670 1\n C C3 1 0.24746096 0.42717669 0.75764436 1\n C C4 1 0.43889986 0.83257010 -0.05133788 1\n C C5 1 0.94451390 0.77244968 0.44846213 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33153000\n_cell_length_b 3.32408000\n_cell_length_c 4.67848000\n_cell_angle_alpha 89.92667000\n_cell_angle_beta 69.20158000\n_cell_angle_gamma 89.97337000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.43449755\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.09037073 0.73445387 0.76728442 1\n C C1 1 0.59245939 0.38305792 0.75397144 1\n C C2 1 0.41946346 0.25509488 0.09751097 1\n C C3 1 1.04660047 -0.03749000 0.25032938 1\n C C4 1 0.73308193 0.00209808 0.58096631 1\n C C5 1 0.38967509 0.63608154 0.26986959 1\n C C6 1 0.37190673 0.67462362 0.60100813 1\n C C7 1 0.75134935 0.90181289 0.08351436 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.69892000\n_cell_length_b 4.13410000\n_cell_length_c 5.17930000\n_cell_angle_alpha 60.93762000\n_cell_angle_beta 112.97704000\n_cell_angle_gamma 119.76864000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.99086376\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61730011 1.02269662 0.09800800 1\n C C1 1 1.05580205 0.96508683 0.59611156 1\n C C2 1 0.40586878 0.61792849 0.28962693 1\n C C3 1 0.02395369 0.23549536 0.29019003 1\n C C4 1 0.67380214 0.58278742 0.59660598 1\n C C5 1 0.46255133 0.17812727 0.78794321 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48150000\n_cell_length_b 3.74197000\n_cell_length_c 3.84423000\n_cell_angle_alpha 89.95007000\n_cell_angle_beta 90.02611000\n_cell_angle_gamma 89.97002000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.69633880\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08531653 0.32836590 0.88959939 1\n C C1 1 0.58531837 0.82450004 0.59529285 1\n C C2 1 0.58529388 0.55764036 0.88991508 1\n C C3 1 0.08532891 0.06146673 0.18466713 1\n C C4 1 0.08483890 0.06227311 0.59472791 1\n C C5 1 0.58580571 0.82394446 0.18511155 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48727000\n_cell_length_b 2.48685000\n_cell_length_c 8.24244000\n_cell_angle_alpha 89.99729000\n_cell_angle_beta 81.32339000\n_cell_angle_gamma 59.98234000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47005783\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44268323 0.14307927 -0.09952755 1\n C C1 1 0.56661529 0.07939181 0.71292304 1\n C C2 1 0.56815898 0.57819454 0.21296009 1\n C C3 1 0.06786393 0.32952516 0.46298865 1\n C C4 1 0.44371602 0.64171893 0.40059391 1\n C C5 1 0.94376498 0.89062995 0.15054109 1\n C C6 1 1.06703852 0.83077440 0.96288813 1\n C C7 1 -0.05756935 0.39154945 0.65055655 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48030000\n_cell_length_b 4.83724000\n_cell_length_c 4.21877000\n_cell_angle_alpha 132.53915000\n_cell_angle_beta 89.86857000\n_cell_angle_gamma 105.03017000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.93769731\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36923697 0.18863669 0.77830272 1\n C C1 1 0.88946609 0.22857736 0.59626175 1\n C C2 1 0.14478613 0.74247876 0.53881175 1\n C C3 1 0.69265839 0.83146143 0.12325401 1\n C C4 1 0.11425643 0.67476970 0.83573948 1\n C C5 1 0.56647719 0.58582594 0.25131818 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48134000\n_cell_length_b 4.84102000\n_cell_length_c 3.68899000\n_cell_angle_alpha 57.39313000\n_cell_angle_beta 70.33129000\n_cell_angle_gamma 75.20421000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99743349\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26890593 0.26965184 0.61275737 1\n C C1 1 0.06825548 0.19393574 1.08631324 1\n C C2 1 0.84734892 0.40048019 0.32516115 1\n C C3 1 0.80841798 0.76569134 0.02982841 1\n C C4 1 0.38686097 0.89651969 0.74223219 1\n C C5 1 0.58751142 0.97223578 0.26867632 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.59975000\n_cell_length_b 4.90821000\n_cell_length_c 5.40614000\n_cell_angle_alpha 87.03590000\n_cell_angle_beta 77.75911000\n_cell_angle_gamma 88.76056000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 119.11036686\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57170708 0.90949488 0.38888077 1\n C C1 1 1.01015090 -0.09420436 0.63881990 1\n C C2 1 0.60130265 0.73509490 0.96532854 1\n C C3 1 0.38529418 0.64294852 0.81150240 1\n C C4 1 0.39318936 0.14447596 0.78792910 1\n C C5 1 0.11648807 0.08408172 0.20711289 1\n C C6 1 0.59419739 1.05670038 0.95770077 1\n C C7 1 0.50960633 0.39950515 0.63582452 1\n C C8 1 0.40795109 0.41453412 0.37467259 1\n C C9 1 0.90687788 0.96541085 0.39414966 1\n C C10 1 0.10601063 1.21679100 0.95544073 1\n C C11 1 0.34875233 0.89701291 0.64157641 1\n C C12 1 0.84484962 0.40765621 0.64416586 1\n C C13 1 0.94239576 0.57152261 0.21952383 1\n C C14 1 0.09201537 0.54232355 0.95774482 1\n C C15 1 0.88538229 0.64986439 0.79665533 1\n C C16 1 0.61051687 0.64188282 0.23744719 1\n C C17 1 0.44147612 0.12679052 0.23228820 1\n C C18 1 0.88794694 0.14791230 0.80654000 1\n C C19 1 0.06597646 0.46091618 0.40545146 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48151000\n_cell_length_b 3.68951000\n_cell_length_c 4.21600000\n_cell_angle_alpha 75.22466000\n_cell_angle_beta 90.02838000\n_cell_angle_gamma 70.34823000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99144239\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55060651 0.72555022 0.71242950 1\n C C1 1 0.35314676 0.12361730 0.78746691 1\n C C2 1 0.77501745 0.28002894 0.91859219 1\n C C3 1 0.03134173 0.76393041 0.49003788 1\n C C4 1 0.80680109 0.20936421 0.28360661 1\n C C5 1 0.22831585 0.36647462 0.41439461 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47330000\n_cell_length_b 4.61976000\n_cell_length_c 6.48413000\n_cell_angle_alpha 69.35008000\n_cell_angle_beta 99.04910000\n_cell_angle_gamma 87.09132000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.01148405\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03471701 0.63958190 0.72730223 1\n C C1 1 0.58633402 0.09115948 0.26106743 1\n C C2 1 0.88660839 0.89659019 0.99671669 1\n C C3 1 0.16661780 0.07496797 0.40425713 1\n C C4 1 0.54155712 0.55142979 0.29442008 1\n C C5 1 1.08885366 0.33153404 0.67428800 1\n C C6 1 0.41684277 0.85239896 0.64220628 1\n C C7 1 0.63640184 0.11856404 0.75922826 1\n C C8 1 0.46718070 0.88160347 0.13995571 1\n C C9 1 0.09335667 0.40581731 0.42472946 1\n C C10 1 0.51567357 0.42115091 0.10740216 1\n C C11 1 0.96338157 0.56538625 0.97707088 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.89897000\n_cell_length_b 4.93304000\n_cell_length_c 3.43277000\n_cell_angle_alpha 86.72052000\n_cell_angle_beta 108.29137000\n_cell_angle_gamma 112.35867000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.83058248\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62363626 0.80200612 0.66462437 1\n C C1 1 0.74306048 1.01043834 0.03343926 1\n C C2 1 0.97215056 0.94918571 0.46207138 1\n C C3 1 -0.04987604 0.29736146 0.86750445 1\n C C4 1 0.44454459 0.47029962 0.54804206 1\n C C5 1 0.72080927 0.35730637 0.43952594 1\n C C6 1 0.07057596 0.50562055 0.23719261 1\n C C7 1 0.45391201 0.09068474 0.13080959 1\n C C8 1 0.23930055 0.21703392 0.77046867 1\n C C9 1 0.24879975 0.83716006 0.35324328 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46620000\n_cell_length_b 3.31046000\n_cell_length_c 6.53309000\n_cell_angle_alpha 101.65322000\n_cell_angle_beta 97.46152000\n_cell_angle_gamma 103.74539000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.84775002\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86291717 0.42599337 0.10256074 1\n C C1 1 0.43341423 0.65015809 0.81443137 1\n C C2 1 -0.03221125 0.53851384 0.31292821 1\n C C3 1 0.29798531 0.36187909 0.97377256 1\n C C4 1 0.39889872 0.31886905 0.60144846 1\n C C5 1 0.82359883 0.04534574 0.60089046 1\n C C6 1 0.53333305 0.60453586 0.44178535 1\n C C7 1 0.00832765 0.92190286 0.81438716 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47394000\n_cell_length_b 4.27948000\n_cell_length_c 4.11840000\n_cell_angle_alpha 89.99625000\n_cell_angle_beta 89.98731000\n_cell_angle_gamma 89.99838000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60222755\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24300756 0.24664841 0.87789037 1\n C C1 1 0.74280384 0.74657784 0.87754246 1\n C C2 1 0.24257703 0.91314723 1.00355778 1\n C C3 1 0.74247354 0.74664684 0.50356763 1\n C C4 1 0.74235477 0.41332761 0.37788670 1\n C C5 1 0.74281983 0.41314665 1.00393901 1\n C C6 1 0.24265255 0.91332938 0.37756343 1\n C C7 1 0.24220107 0.24668734 0.50393102 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43203000\n_cell_length_b 4.20141000\n_cell_length_c 6.03287000\n_cell_angle_alpha 70.48509000\n_cell_angle_beta 101.47866000\n_cell_angle_gamma 90.19103000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.80714521\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.28646203 0.47491152 0.35363687 1\n C C1 1 0.11778349 0.06807774 0.85520002 1\n C C2 1 0.61834929 0.90088832 0.85524782 1\n C C3 1 -0.21353797 -0.02508848 0.35363687 1\n C C4 1 0.78589623 0.64210094 0.35358907 1\n C C5 1 0.28589623 0.14210094 0.35358907 1\n C C6 1 1.11834929 0.40088832 0.85524782 1\n C C7 1 0.61778349 0.56807774 -0.14479998 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42633000\n_cell_length_b 4.22733000\n_cell_length_c 4.22731000\n_cell_angle_alpha 87.67141000\n_cell_angle_beta 90.00228000\n_cell_angle_gamma 90.01589000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.32328014\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93570839 0.57569384 0.38279843 1\n C C1 1 0.43546797 0.08199387 0.29840263 1\n C C2 1 0.93563471 0.22661315 0.44272237 1\n C C3 1 0.43541315 0.14286170 0.94875242 1\n C C4 1 0.43586052 0.73250498 0.35865005 1\n C C5 1 0.93534086 0.16599356 0.79211122 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43974000\n_cell_length_b 4.84071000\n_cell_length_c 6.77576000\n_cell_angle_alpha 114.44364000\n_cell_angle_beta 79.82211000\n_cell_angle_gamma 120.16673000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.93383837\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60739057 0.61764137 0.57761720 1\n C C1 1 0.89231975 0.24243720 0.24751571 1\n C C2 1 1.16210255 0.72729655 0.68434006 1\n C C3 1 -0.10660858 -0.22871508 0.29878390 1\n C C4 1 0.29513136 0.96756624 0.90052575 1\n C C5 1 0.55431752 0.44948124 0.33776021 1\n C C6 1 0.55070825 -0.07813307 0.28813777 1\n C C7 1 0.84871527 1.07643205 1.00790460 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48821000\n_cell_length_b 3.51679000\n_cell_length_c 4.30409000\n_cell_angle_alpha 114.09274000\n_cell_angle_beta 106.76580000\n_cell_angle_gamma 90.01154000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61936554\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77472099 0.32517538 0.29564700 1\n C C1 1 1.10810763 0.65851182 0.96231079 1\n C C2 1 0.94154320 0.74228918 0.62913122 1\n C C3 1 0.44149674 -0.00815662 0.62897596 1\n C C4 1 0.27476745 0.07562118 0.29580227 1\n C C5 1 0.60815656 0.40895274 0.96246743 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44264000\n_cell_length_b 5.41663000\n_cell_length_c 5.15532000\n_cell_angle_alpha 101.50728000\n_cell_angle_beta 61.73194000\n_cell_angle_gamma 89.99525000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.51288428\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.22722843 0.20771341 0.46603560 1\n C C1 1 -0.34936562 0.48813516 0.58847572 1\n C C2 1 0.28032222 0.50306706 0.96122067 1\n C C3 1 0.24465012 0.62408933 0.49432841 1\n C C4 1 0.61117610 0.63862372 1.12951727 1\n C C5 1 0.28298784 0.23539685 0.95723876 1\n C C6 1 1.07549917 0.07029291 0.16257757 1\n C C7 1 0.68118079 0.89885057 0.05806604 1\n C C8 1 0.55997572 1.05015951 0.67660279 1\n C C9 1 1.03673637 0.88569397 0.70130797 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44294000\n_cell_length_b 5.31920000\n_cell_length_c 8.34484000\n_cell_angle_alpha 77.87380000\n_cell_angle_beta 64.05337000\n_cell_angle_gamma 89.90791000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 94.82679209\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34525073 0.73403828 0.55755925 1\n C C1 1 0.13913237 0.50913436 0.36044609 1\n C C2 1 1.22694359 0.00373310 0.30096498 1\n C C3 1 0.64645203 0.12650216 0.35441911 1\n C C4 1 0.02066205 0.73330419 0.44007152 1\n C C5 1 0.09682053 0.48099836 0.72428148 1\n C C6 1 1.10404616 0.87394668 0.05300758 1\n C C7 1 0.85937259 0.60521542 0.88332276 1\n C C8 1 0.50697819 -0.05321760 0.11697906 1\n C C9 1 0.61940801 0.33140906 0.70864837 1\n C C10 1 0.68009880 0.39972372 0.33318254 1\n C C11 1 0.70367865 1.10953310 0.65072617 1\n C C12 1 0.30277092 1.01189463 0.58423722 1\n C C13 1 0.27819625 0.69191364 0.93738017 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30070000\n_cell_length_b 5.27169000\n_cell_length_c 4.36295000\n_cell_angle_alpha 70.66951000\n_cell_angle_beta 59.65922000\n_cell_angle_gamma 82.11452000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.78305619\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81084948 0.88615230 0.02015129 1\n C C1 1 0.75178960 0.63526287 0.31005609 1\n C C2 1 0.12084305 0.40354924 0.27158238 1\n C C3 1 0.78339811 0.14683760 0.45586425 1\n C C4 1 0.84354885 1.14615955 0.06732207 1\n C C5 1 0.82406433 0.88491524 0.70841677 1\n C C6 1 0.34383004 0.26487200 0.75199120 1\n C C7 1 0.82229904 0.63130002 0.63853741 1\n C C8 1 0.53024007 0.36780703 -0.06143298 1\n C C9 1 0.28210373 0.49679834 0.48673464 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48063000\n_cell_length_b 3.68969000\n_cell_length_c 4.89774000\n_cell_angle_alpha 92.91460000\n_cell_angle_beta 59.55182000\n_cell_angle_gamma 70.35884000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02041107\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46551976 0.71860851 0.87508713 1\n C C1 1 0.01902207 -0.12506249 0.74391544 1\n C C2 1 -0.15326276 0.36061629 0.17287968 1\n C C3 1 0.96975182 -0.03658282 0.24851676 1\n C C4 1 0.58931406 0.32063667 0.95018901 1\n C C5 1 0.41789695 0.80604675 0.37932969 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03734000\n_cell_length_b 4.49452000\n_cell_length_c 6.48423000\n_cell_angle_alpha 79.56368000\n_cell_angle_beta 88.23843000\n_cell_angle_gamma 87.76766000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.96300885\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37267878 0.44645094 0.33523108 1\n C C1 1 -0.15372644 0.23877474 0.85835973 1\n C C2 1 0.20756743 0.90637913 0.50980706 1\n C C3 1 1.20866108 0.23334560 0.50745458 1\n C C4 1 0.72564358 0.44389508 0.98259083 1\n C C5 1 0.03830721 0.69253818 0.67479550 1\n C C6 1 0.54192772 -0.01206366 0.16708766 1\n C C7 1 0.37435217 0.77360761 0.33233450 1\n C C8 1 0.83588762 0.72117940 0.87554422 1\n C C9 1 0.53460094 0.30817776 0.17124057 1\n C C10 1 0.74293051 -0.03852702 -0.03435126 1\n C C11 1 1.04224689 0.37297874 0.67050603 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.21759000\n_cell_length_b 3.42314000\n_cell_length_c 6.56681000\n_cell_angle_alpha 120.46767000\n_cell_angle_beta 81.48833000\n_cell_angle_gamma 107.29253000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.02216039\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60384434 0.19647805 0.66788889 1\n C C1 1 0.69780596 0.01058751 0.95525422 1\n C C2 1 -0.16145937 0.88003804 0.26597289 1\n C C3 1 0.43934292 0.30978467 0.38501092 1\n C C4 1 -0.02880966 0.96282547 0.06284954 1\n C C5 1 0.02173889 0.75121411 0.56015959 1\n C C6 1 0.87649384 0.14781635 0.77542364 1\n C C7 1 0.43571472 0.60947398 0.79935297 1\n C C8 1 0.55322407 0.40774514 0.17069488 1\n C C9 1 0.35436127 0.71954079 0.60722192 1\n C C10 1 0.13904932 0.54896377 0.93084196 1\n C C11 1 0.73660211 0.27901729 0.46454623 1\n C C12 1 0.22059322 0.43976072 0.12368191 1\n C C13 1 1.13584627 0.85027062 0.34615834 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44289000\n_cell_length_b 4.19804000\n_cell_length_c 6.28497000\n_cell_angle_alpha 73.61665000\n_cell_angle_beta 78.76846000\n_cell_angle_gamma 90.01172000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.54891973\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79224319 0.84623437 0.86276461 1\n C C1 1 -0.01430058 0.64258741 0.45743432 1\n C C2 1 1.01014829 0.31356917 0.41898853 1\n C C3 1 0.69063185 0.58569046 1.06454409 1\n C C4 1 0.46426060 0.12206893 0.50994695 1\n C C5 1 0.13646638 0.47123198 0.17044347 1\n C C6 1 0.34508375 0.96195100 0.75772136 1\n C C7 1 0.47932891 0.79409437 0.46980887 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54887000\n_cell_length_b 3.65093000\n_cell_length_c 5.54528000\n_cell_angle_alpha 94.61639000\n_cell_angle_beta 103.33220000\n_cell_angle_gamma 69.60305000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.06395724\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47500877 0.72532940 0.36871412 1\n C C1 1 0.77940428 0.53588525 0.78980681 1\n C C2 1 0.59003297 0.91356694 0.78969581 1\n C C3 1 0.99318463 0.35557828 1.03786484 1\n C C4 1 0.74614582 0.35567313 0.54089754 1\n C C5 1 0.62322082 0.09425940 0.03777932 1\n C C6 1 0.37623828 0.09402043 0.54090826 1\n C C7 1 -0.10507848 0.72531628 0.20945699 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47349000\n_cell_length_b 3.28791000\n_cell_length_c 6.91889000\n_cell_angle_alpha 118.40058000\n_cell_angle_beta 100.31090000\n_cell_angle_gamma 67.85714000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.84585642\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11044628 0.62671657 0.80034130 1\n C C1 1 0.61020077 0.12689811 0.30032453 1\n C C2 1 1.29017693 0.08579554 0.62021075 1\n C C3 1 0.79012581 0.58592929 0.12015176 1\n C C4 1 0.61029595 0.76598763 -0.06050795 1\n C C5 1 0.92979158 0.80715694 0.62017238 1\n C C6 1 0.42973705 0.30727019 0.12009122 1\n C C7 1 0.11013453 0.26599793 0.43950960 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48688000\n_cell_length_b 3.95359000\n_cell_length_c 6.43946000\n_cell_angle_alpha 76.58651000\n_cell_angle_beta 112.76179000\n_cell_angle_gamma 89.99980000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.50503378\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45109343 0.73598860 0.34963019 1\n C C1 1 -0.04316213 0.97037315 0.35550954 1\n C C2 1 0.50971708 0.26352320 0.90907136 1\n C C3 1 0.24942928 0.54794905 0.14824300 1\n C C4 1 0.75598160 0.30872226 0.15437315 1\n C C5 1 0.15515820 0.16001224 0.55580604 1\n C C6 1 0.89490815 0.44540098 0.79525041 1\n C C7 1 1.41757340 0.95582849 0.81799834 1\n C C8 1 0.64904845 0.39905276 0.54976911 1\n C C9 1 -0.01341296 0.75311787 0.88707135 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47579000\n_cell_length_b 4.26052000\n_cell_length_c 6.95066000\n_cell_angle_alpha 101.58153000\n_cell_angle_beta 79.73749000\n_cell_angle_gamma 90.00588000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.62645903\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85637936 0.83895304 0.18900266 1\n C C1 1 0.57539808 0.86464357 0.75089082 1\n C C2 1 0.17254866 0.43988722 0.55969436 1\n C C3 1 1.05734740 0.41948961 0.78651029 1\n C C4 1 0.39938487 0.65799669 0.10061608 1\n C C5 1 0.37862373 0.32491384 0.14127981 1\n C C6 1 0.08535131 0.05393648 0.73151802 1\n C C7 1 0.51489853 0.60016032 0.87326097 1\n C C8 1 0.19930517 0.07428726 0.50474974 1\n C C9 1 0.68283498 0.62890628 0.53954092 1\n C C10 1 0.74227867 -0.10584910 0.41714563 1\n C C11 1 -0.12557466 0.17321302 0.15044251 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55283000\n_cell_length_b 2.43820000\n_cell_length_c 7.35260000\n_cell_angle_alpha 90.06046000\n_cell_angle_beta 119.99194000\n_cell_angle_gamma 90.64972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.63300919\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52516996 0.25623793 0.17186891 1\n C C1 1 0.18649224 0.25870481 0.94210566 1\n C C2 1 0.17344534 0.24808561 0.27523641 1\n C C3 1 0.68123868 0.74770039 0.61280297 1\n C C4 1 0.51396484 0.24519958 0.50497232 1\n C C5 1 1.02124074 0.75614188 0.83431532 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44174000\n_cell_length_b 4.53540000\n_cell_length_c 5.41708000\n_cell_angle_alpha 103.06828000\n_cell_angle_beta 89.99605000\n_cell_angle_gamma 90.03083000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.43651672\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31902271 0.84508392 0.52684190 1\n C C1 1 -0.18006447 0.50773993 0.95571895 1\n C C2 1 0.81900165 0.87186176 0.94279505 1\n C C3 1 0.31943668 0.33592466 0.55297769 1\n C C4 1 0.31872337 1.05496703 0.36832164 1\n C C5 1 0.31977097 0.33964505 0.82114649 1\n C C6 1 0.31990169 0.54128555 0.38859582 1\n C C7 1 0.81887229 0.07908113 0.20415930 1\n C C8 1 -0.18022594 0.43613760 0.21589282 1\n C C9 1 0.31911614 0.96711407 0.80629093 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43812000\n_cell_length_b 4.17883000\n_cell_length_c 3.43634000\n_cell_angle_alpha 79.79224000\n_cell_angle_beta 93.18599000\n_cell_angle_gamma 79.68857000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.61008563\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91021653 0.20654596 0.21140218 1\n C C1 1 0.71171733 0.63925898 0.53589098 1\n C C2 1 0.60371758 0.43847065 0.90757818 1\n C C3 1 0.61874111 0.01702940 0.44042464 1\n C C4 1 1.08329891 0.43840981 0.42714329 1\n C C5 1 0.28103022 1.00598700 0.10278808 1\n C C6 1 0.38925576 0.20652161 0.73275226 1\n C C7 1 0.37445297 0.62810527 0.19887240 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.55737000\n_cell_length_b 5.76631000\n_cell_length_c 4.66171000\n_cell_angle_alpha 51.99670000\n_cell_angle_beta 59.58353000\n_cell_angle_gamma 51.57576000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.83575495\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11361837 0.83806962 0.05970050 1\n C C1 1 0.11404543 0.31572535 0.55480749 1\n C C2 1 0.11096384 0.12986509 0.93103304 1\n C C3 1 0.11528148 0.15474334 0.42682171 1\n C C4 1 0.11137192 0.60745378 0.42602074 1\n C C5 1 0.11219119 0.84428704 0.74350246 1\n C C6 1 1.11323483 0.60131988 0.74188365 1\n C C7 1 1.10996974 0.29108470 0.05863081 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48356000\n_cell_length_b 3.82495000\n_cell_length_c 5.22926000\n_cell_angle_alpha 81.00251000\n_cell_angle_beta 89.97135000\n_cell_angle_gamma 108.95556000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.33333727\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80286783 0.06897175 0.84578135 1\n C C1 1 0.97699171 0.41834866 1.00853371 1\n C C2 1 0.35154489 0.16459360 0.68040735 1\n C C3 1 1.31316134 0.09067164 0.40135153 1\n C C4 1 -0.07448226 0.31373947 0.29535171 1\n C C5 1 0.58915070 0.64057199 0.90173676 1\n C C6 1 0.10126415 0.66339426 0.45750237 1\n C C7 1 0.55285214 0.56813013 0.62222851 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48106000\n_cell_length_b 4.48233000\n_cell_length_c 4.58178000\n_cell_angle_alpha 72.54780000\n_cell_angle_beta 122.81154000\n_cell_angle_gamma 123.59846000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.66997170\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39568634 0.73139805 0.13923515 1\n C C1 1 0.13300053 -0.03122292 0.13917394 1\n C C2 1 0.69495277 0.23522930 0.43458953 1\n C C3 1 0.72393582 0.96872280 0.72998123 1\n C C4 1 0.42466940 0.46489156 0.43462685 1\n C C5 1 0.98662164 0.73134377 0.73004244 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52709000\n_cell_length_b 4.79296000\n_cell_length_c 4.70918000\n_cell_angle_alpha 77.14416000\n_cell_angle_beta 101.75308000\n_cell_angle_gamma 63.29089000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.55726104\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09854710 -0.01814917 0.75757258 1\n C C1 1 0.05580415 0.74305369 0.28908611 1\n C C2 1 0.11082870 0.25406911 0.27852053 1\n C C3 1 0.97570711 0.44694995 -0.04326550 1\n C C4 1 0.80464296 0.52740462 0.40807976 1\n C C5 1 0.81760336 0.80002021 0.93085311 1\n C C6 1 0.94046655 0.33506281 0.73018998 1\n C C7 1 0.86038387 1.03814478 0.39848023 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51183000\n_cell_length_b 4.11250000\n_cell_length_c 4.18832000\n_cell_angle_alpha 60.61480000\n_cell_angle_beta 107.56113000\n_cell_angle_gamma 89.96901000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.36195781\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64230471 0.23727857 0.93062917 1\n C C1 1 0.83602607 0.52421469 0.31857532 1\n C C2 1 0.44897429 0.91263369 0.54213875 1\n C C3 1 0.64229805 0.56813813 0.93020477 1\n C C4 1 -0.16389985 0.89295381 0.31870828 1\n C C5 1 0.44910284 0.28117510 0.54234411 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48121000\n_cell_length_b 3.68961000\n_cell_length_c 4.84472000\n_cell_angle_alpha 57.34267000\n_cell_angle_beta 75.15624000\n_cell_angle_gamma 70.33262000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00621946\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54117664 0.98126786 0.48554506 1\n C C1 1 0.31712154 0.22025380 0.69213609 1\n C C2 1 0.79809613 0.03709065 0.91398832 1\n C C3 1 0.11963258 0.69361585 0.61655537 1\n C C4 1 0.57551686 0.27621906 0.12026837 1\n C C5 1 -0.00257935 0.56413446 0.98909408 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.20060000\n_cell_length_b 2.46593000\n_cell_length_c 7.40422000\n_cell_angle_alpha 80.44415000\n_cell_angle_beta 85.91154000\n_cell_angle_gamma 67.38458000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.19373058\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03634106 0.15649495 0.95300645 1\n C C1 1 0.96189196 0.80466157 0.66057220 1\n C C2 1 0.95638804 1.00411197 0.26832964 1\n C C3 1 0.59731643 0.26150479 0.11067180 1\n C C4 1 0.95559808 0.45060084 0.37601319 1\n C C5 1 0.32169634 0.89833400 0.11051889 1\n C C6 1 -0.03547465 0.71028194 0.84533615 1\n C C7 1 -0.04109485 0.35679712 0.56076348 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42600000\n_cell_length_b 5.90085000\n_cell_length_c 4.22623000\n_cell_angle_alpha 45.72396000\n_cell_angle_beta 89.98482000\n_cell_angle_gamma 89.96774000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.31738064\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27900806 0.63877767 0.76511176 1\n C C1 1 0.27886496 0.29004964 0.05371583 1\n C C2 1 0.77897144 0.14398979 0.34568626 1\n C C3 1 0.27889818 0.22962922 0.76558719 1\n C C4 1 0.77880845 0.79530744 0.63382915 1\n C C5 1 0.77899331 0.20451424 0.63409461 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45462000\n_cell_length_b 3.35193000\n_cell_length_c 7.54715000\n_cell_angle_alpha 74.21532000\n_cell_angle_beta 89.92018000\n_cell_angle_gamma 68.42958000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.23098060\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86155102 1.09277400 0.09369628 1\n C C1 1 0.72528323 0.36298473 0.24095971 1\n C C2 1 0.48213954 0.85002421 0.18358276 1\n C C3 1 0.17452808 0.46633816 0.80771649 1\n C C4 1 0.46762853 0.87792044 0.52890930 1\n C C5 1 0.34818724 1.11878695 0.33185002 1\n C C6 1 1.03582387 -0.25589410 0.61890603 1\n C C7 1 0.74179739 0.33270542 0.89728300 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.01352000\n_cell_length_b 4.85398000\n_cell_length_c 4.20745000\n_cell_angle_alpha 89.99867000\n_cell_angle_beta 114.63075000\n_cell_angle_gamma 90.09774000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.94485525\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04033408 1.00062602 -0.02572022 1\n C C1 1 0.95347618 0.50062088 0.30556576 1\n C C2 1 0.95366359 0.25061603 0.80561756 1\n C C3 1 -0.04033741 0.25062218 0.47427857 1\n C C4 1 0.95362707 1.00062476 0.30560603 1\n C C5 1 0.95951479 0.50062475 0.97422983 1\n C C6 1 0.95349022 0.75062608 0.80556473 1\n C C7 1 0.95949013 0.75063118 0.47422613 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45985000\n_cell_length_b 3.39941000\n_cell_length_c 5.32525000\n_cell_angle_alpha 96.78460000\n_cell_angle_beta 90.00541000\n_cell_angle_gamma 111.13967000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.19856264\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68076430 0.30971926 0.57002783 1\n C C1 1 0.81404257 0.58665831 0.09966601 1\n C C2 1 0.85114146 0.65111770 0.37600750 1\n C C3 1 0.27915140 0.50785382 0.69686568 1\n C C4 1 0.45087684 0.85030428 0.50269620 1\n C C5 1 0.30457923 0.56764414 0.97317508 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04191000\n_cell_length_b 2.42906000\n_cell_length_c 6.19510000\n_cell_angle_alpha 91.97094000\n_cell_angle_beta 99.77101000\n_cell_angle_gamma 109.38428000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.35114599\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67301985 0.41681474 0.85301420 1\n C C1 1 1.22554912 0.19357969 0.40897831 1\n C C2 1 0.33940752 0.75003940 0.51972810 1\n C C3 1 0.55840781 0.86005468 0.74237182 1\n C C4 1 0.00721950 0.08383366 0.18624434 1\n C C5 1 0.89273590 0.52710684 1.07556143 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28315000\n_cell_length_b 3.30558000\n_cell_length_c 5.62590000\n_cell_angle_alpha 89.39472000\n_cell_angle_beta 89.17192000\n_cell_angle_gamma 84.08133000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.72194467\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05221023 0.37910855 0.84660688 1\n C C1 1 0.77166596 0.10315168 0.71463875 1\n C C2 1 0.43231871 0.46965957 0.71747471 1\n C C3 1 0.46433058 0.65406697 0.47644580 1\n C C4 1 -0.21183499 0.11424781 0.23131411 1\n C C5 1 0.45095623 0.47972964 0.23429899 1\n C C6 1 0.75970708 -0.07097123 0.47150566 1\n C C7 1 0.16681713 0.20732125 0.10083287 1\n C C8 1 0.52526962 0.84945268 0.09128314 1\n C C9 1 0.69671466 0.73404959 0.85761128 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42689000\n_cell_length_b 4.87352000\n_cell_length_c 4.22427000\n_cell_angle_alpha 88.72058000\n_cell_angle_beta 89.99080000\n_cell_angle_gamma 60.10598000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.30069725\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54466174 1.00771205 0.58022810 1\n C C1 1 0.48321716 0.06840714 0.23162717 1\n C C2 1 0.06983133 0.98277645 0.73661339 1\n C C3 1 0.47690061 0.57363596 0.14686195 1\n C C4 1 1.12906851 -0.07741435 1.08575610 1\n C C5 1 0.13348856 0.41731564 0.17236449 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43327000\n_cell_length_b 5.79442000\n_cell_length_c 7.71050000\n_cell_angle_alpha 79.13047000\n_cell_angle_beta 99.04938000\n_cell_angle_gamma 90.04317000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 105.38721837\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.38109927 0.42303498 0.49204780 1\n C C1 1 0.45557916 0.10360189 0.16595141 1\n C C2 1 0.95421406 0.60630539 0.15242960 1\n C C3 1 -0.41798691 0.67850044 0.41371658 1\n C C4 1 0.77210693 0.14659688 0.79460369 1\n C C5 1 0.22346633 0.10576393 0.69900557 1\n C C6 1 0.83268045 0.28170746 0.91621181 1\n C C7 1 0.98027247 0.99795520 0.21666481 1\n C C8 1 0.65696667 0.81302787 0.56435545 1\n C C9 1 0.38128293 0.31794473 1.01371759 1\n C C10 1 0.18560447 0.89000916 0.61991829 1\n C C11 1 1.02583908 0.74534687 0.29947706 1\n C C12 1 0.42713488 0.52828660 0.09800788 1\n C C13 1 0.14340884 0.31709980 0.54278587 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42619000\n_cell_length_b 4.22236000\n_cell_length_c 4.87426000\n_cell_angle_alpha 90.87603000\n_cell_angle_beta 119.91356000\n_cell_angle_gamma 90.01775000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.27410041\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56792249 0.95584145 0.43124817 1\n C C1 1 -0.02306763 0.36402576 0.84051008 1\n C C2 1 0.50296354 0.52056960 0.86576088 1\n C C3 1 0.91617481 0.01589897 0.77948330 1\n C C4 1 0.56297541 0.86901714 0.92655887 1\n C C5 1 0.91106009 0.93063038 0.27467591 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51071000\n_cell_length_b 4.19564000\n_cell_length_c 6.66070000\n_cell_angle_alpha 90.06261000\n_cell_angle_beta 100.88750000\n_cell_angle_gamma 89.97368000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.90104869\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08883064 0.63611491 0.23317952 1\n C C1 1 0.01753738 0.50444804 0.44514282 1\n C C2 1 1.24639619 1.00274032 0.90562572 1\n C C3 1 0.69634962 0.13149167 0.80397856 1\n C C4 1 0.35792286 0.13134402 0.12479992 1\n C C5 1 0.24669436 0.63473324 0.90619914 1\n C C6 1 0.01815316 0.13448573 0.44466313 1\n C C7 1 0.58071176 0.13201015 0.57092732 1\n C C8 1 0.69635623 0.50555726 0.80449486 1\n C C9 1 0.91132896 1.00193642 0.23279238 1\n C C10 1 0.58008789 0.50658961 0.57145274 1\n C C11 1 0.35791664 0.50632613 0.12520129 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47027000\n_cell_length_b 8.99608000\n_cell_length_c 7.87474000\n_cell_angle_alpha 55.81855000\n_cell_angle_beta 73.43566000\n_cell_angle_gamma 71.69899000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 136.12500979\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.42588451 0.22148283 0.68820064 1\n C C1 1 0.15118989 0.43549007 0.37448350 1\n C C2 1 0.13352634 0.31611040 -0.00017987 1\n C C3 1 0.43045886 0.71602827 0.29976143 1\n C C4 1 0.45341222 1.07234101 -0.08652136 1\n C C5 1 0.92521637 0.78080498 0.60336911 1\n C C6 1 1.22733598 0.62892501 0.54717846 1\n C C7 1 0.62191799 0.42695694 -0.11726558 1\n C C8 1 0.77150306 0.00867351 0.21298551 1\n C C9 1 -0.11833202 0.08681769 0.60991202 1\n C C10 1 0.48059113 0.10665772 0.48123716 1\n C C11 1 0.62111800 0.55277495 0.27065570 1\n C C12 1 0.06791472 0.90574633 0.79147288 1\n C C13 1 0.02074076 0.94463563 0.95712434 1\n C C14 1 -0.05070755 0.34441682 0.17715742 1\n C C15 1 0.37533580 0.58577176 -0.06524690 1\n C C16 1 0.73059933 0.96626323 0.42456045 1\n C C17 1 0.91630781 0.83399775 0.19838146 1\n C C18 1 0.27201667 0.11426448 0.08119961 1\n C C19 1 0.31804383 0.76331347 0.73999005 1\n C C20 1 0.39413407 0.29507163 0.30505000 1\n C C21 1 0.80183866 0.55060440 0.06547874 1\n C C22 1 1.01151718 0.34512432 0.60769699 1\n C C23 1 0.77602754 0.50467491 0.64809634 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67111000\n_cell_length_b 4.22781000\n_cell_length_c 3.49235000\n_cell_angle_alpha 52.65930000\n_cell_angle_beta 76.86340000\n_cell_angle_gamma 63.13003000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.80620725\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06749259 0.26605953 0.93320826 1\n C C1 1 0.61783243 0.79950902 0.32057369 1\n C C2 1 0.33247850 0.50606661 0.18837600 1\n C C3 1 0.83276179 0.34861388 0.68800845 1\n C C4 1 0.78208253 0.97728561 0.80050231 1\n C C5 1 0.11770247 0.63747965 0.82105546 1\n C C6 1 0.28204490 0.81528921 0.30090125 1\n C C7 1 0.56767080 0.10879668 0.43280117 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30216000\n_cell_length_b 4.09958000\n_cell_length_c 4.03819000\n_cell_angle_alpha 72.62766000\n_cell_angle_beta 121.76281000\n_cell_angle_gamma 99.32863000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.35865809\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60541421 0.01643717 0.23052555 1\n C C1 1 0.33587508 0.70579392 0.26618008 1\n C C2 1 0.54875792 0.51491498 0.66981014 1\n C C3 1 0.95469476 0.70696620 0.88363662 1\n C C4 1 0.39221149 0.20752255 0.82700339 1\n C C5 1 0.98621184 0.01541388 0.61323571 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.13673000\n_cell_length_b 2.43226000\n_cell_length_c 6.39752000\n_cell_angle_alpha 79.30257000\n_cell_angle_beta 98.69587000\n_cell_angle_gamma 116.89670000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.64641221\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02560205 0.20011237 0.11673758 1\n C C1 1 0.02609201 0.53362934 0.45040489 1\n C C2 1 1.02814776 0.42438642 0.67260816 1\n C C3 1 0.02725387 0.09084405 0.33889884 1\n C C4 1 1.02777258 0.75748124 1.00609094 1\n C C5 1 1.02627714 0.86682646 0.78392639 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45856000\n_cell_length_b 5.28896000\n_cell_length_c 6.24387000\n_cell_angle_alpha 66.98233000\n_cell_angle_beta 78.62291000\n_cell_angle_gamma 89.98100000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.99218749\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38820317 0.81100161 0.18414523 1\n C C1 1 0.88230489 0.24079197 0.19374902 1\n C C2 1 0.27813089 0.50369880 0.40654430 1\n C C3 1 0.72925914 0.82894896 0.50025831 1\n C C4 1 -0.13980356 0.93579977 0.24119160 1\n C C5 1 1.01778770 0.37731724 0.92854087 1\n C C6 1 0.51788837 0.86936273 0.92849589 1\n C C7 1 0.31113699 0.26018400 0.33522579 1\n C C8 1 0.70733093 0.52410748 0.54735907 1\n C C9 1 0.57447221 0.38822584 0.81245971 1\n C C10 1 0.07463453 0.89713522 0.81216445 1\n C C11 1 1.20155734 -0.04658111 0.55699976 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34615000\n_cell_length_b 4.80176000\n_cell_length_c 4.52197000\n_cell_angle_alpha 95.34802000\n_cell_angle_beta 87.84953000\n_cell_angle_gamma 97.35482000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.72078010\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63636659 0.00127963 0.58443749 1\n C C1 1 0.00731838 0.34899503 0.21856954 1\n C C2 1 0.88165501 0.60474682 0.34448492 1\n C C3 1 0.39038250 0.09336579 0.82199685 1\n C C4 1 0.25156028 0.84803191 0.95830575 1\n C C5 1 0.38898809 0.60146056 0.82389810 1\n C C6 1 0.63501530 0.69534780 0.58192967 1\n C C7 1 1.01798484 0.85031031 0.20760373 1\n C C8 1 -0.11747037 0.09695901 0.34302360 1\n C C9 1 0.26554877 0.34956886 -0.05142825 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50584000\n_cell_length_b 4.29120000\n_cell_length_c 7.11283000\n_cell_angle_alpha 111.73270000\n_cell_angle_beta 105.71447000\n_cell_angle_gamma 86.94122000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.29847977\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05428137 0.35856192 0.40375753 1\n C C1 1 0.76703844 -0.02012925 0.53876603 1\n C C2 1 0.85046205 0.21279278 0.77662943 1\n C C3 1 0.54616010 0.57929746 0.10594862 1\n C C4 1 -0.01254712 0.65036371 0.55712737 1\n C C5 1 0.38519552 0.42984461 0.85398111 1\n C C6 1 0.05108251 1.07116657 0.09540381 1\n C C7 1 0.62255354 0.28566099 0.18028875 1\n C C8 1 0.08297488 0.79654866 0.18383311 1\n C C9 1 0.30794966 0.72390429 0.78059212 1\n C C10 1 0.17052242 0.02940020 0.42252455 1\n C C11 1 0.87924828 0.93837777 0.86545177 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47300000\n_cell_length_b 5.23693000\n_cell_length_c 4.11576000\n_cell_angle_alpha 111.03523000\n_cell_angle_beta 89.99738000\n_cell_angle_gamma 90.01765000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.75079701\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34750592 0.76204930 0.42600460 1\n C C1 1 0.34735795 0.94367561 0.18512937 1\n C C2 1 0.34742177 0.26249302 0.42623458 1\n C C3 1 0.84740849 0.31578472 0.63349453 1\n C C4 1 0.84729429 0.89030004 0.97763408 1\n C C5 1 0.34708253 0.44345972 0.18488227 1\n C C6 1 0.84750684 0.81582746 0.63350540 1\n C C7 1 -0.15296670 0.38974873 -0.02254953 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51268000\n_cell_length_b 4.19499000\n_cell_length_c 4.61429000\n_cell_angle_alpha 66.70393000\n_cell_angle_beta 93.46792000\n_cell_angle_gamma 79.18174000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.65351067\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81438358 -0.04220312 0.45101918 1\n C C1 1 0.55742714 0.76804570 0.69128057 1\n C C2 1 0.23982869 0.39507761 0.44592520 1\n C C3 1 0.61704377 0.68041522 1.05903515 1\n C C4 1 0.95092288 0.75391141 0.23427696 1\n C C5 1 0.52646086 0.31658561 0.23913543 1\n C C6 1 0.42688413 0.45415955 0.70225560 1\n C C7 1 0.14818744 1.03122370 0.62669987 1\n C C8 1 0.33793528 0.25779091 0.98294240 1\n C C9 1 0.20707292 0.94392651 0.99402813 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.01015000\n_cell_length_b 4.03389000\n_cell_length_c 5.65479000\n_cell_angle_alpha 92.44836000\n_cell_angle_beta 104.82540000\n_cell_angle_gamma 62.61074000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.71186519\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86005266 0.83409240 0.74163453 1\n C C1 1 0.57091742 0.52347536 1.12937052 1\n C C2 1 1.10640329 0.83560376 -0.01950069 1\n C C3 1 -0.05381421 0.15079582 0.12929369 1\n C C4 1 1.02242749 0.52060128 0.59171636 1\n C C5 1 0.39556336 0.14704777 0.59193057 1\n C C6 1 0.66382542 0.65398867 0.36014969 1\n C C7 1 0.30543307 0.01877295 0.36003331 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.50412000\n_cell_length_b 3.63404000\n_cell_length_c 3.89251000\n_cell_angle_alpha 65.22111000\n_cell_angle_beta 98.68970000\n_cell_angle_gamma 86.94495000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.11032740\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97156117 0.32082836 0.01667999 1\n C C1 1 0.78029913 0.72681620 0.82449413 1\n C C2 1 0.77931602 1.10656550 -0.17501296 1\n C C3 1 0.47092888 0.37983216 0.51765687 1\n C C4 1 0.47073603 0.76032134 0.51680637 1\n C C5 1 0.27898337 0.16607314 0.32508960 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47827000\n_cell_length_b 2.47792000\n_cell_length_c 6.31140000\n_cell_angle_alpha 101.31223000\n_cell_angle_beta 90.00663000\n_cell_angle_gamma 59.96426000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68120326\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.19200793 0.60709846 0.45617269 1\n C C1 1 0.41284560 0.16381734 0.79100936 1\n C C2 1 0.10788419 0.77471577 0.70727861 1\n C C3 1 0.55300616 0.88458951 0.37226030 1\n C C4 1 0.32883644 0.32901432 1.03842068 1\n C C5 1 0.63470108 0.71783940 0.12140796 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44308000\n_cell_length_b 4.19647000\n_cell_length_c 6.36076000\n_cell_angle_alpha 72.75905000\n_cell_angle_beta 101.14386000\n_cell_angle_gamma 90.10420000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.00081212\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79487362 0.65093803 0.62507253 1\n C C1 1 -0.05819258 0.81607265 0.91362133 1\n C C2 1 0.28970716 0.49849847 0.61502061 1\n C C3 1 0.59529695 0.44316389 0.22242400 1\n C C4 1 1.14750558 0.32918184 0.32814879 1\n C C5 1 0.81573416 -0.02282245 0.66634346 1\n C C6 1 0.49389142 0.70044957 0.01831329 1\n C C7 1 0.27169869 0.17099111 0.57624410 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43126000\n_cell_length_b 3.06374000\n_cell_length_c 8.14553000\n_cell_angle_alpha 89.03921000\n_cell_angle_beta 104.33325000\n_cell_angle_gamma 97.99932000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.20347238\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88109854 0.45922632 0.37612154 1\n C C1 1 0.46495440 0.54053715 0.46014873 1\n C C2 1 0.38099451 0.95554970 0.87676308 1\n C C3 1 0.63061974 0.70072610 0.62735258 1\n C C4 1 0.13148438 0.21498739 0.12544210 1\n C C5 1 0.71537565 0.29752556 0.20921595 1\n C C6 1 0.21433448 0.78256349 0.71115108 1\n C C7 1 0.96491749 0.04092269 0.96006874 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26798000\n_cell_length_b 4.51369000\n_cell_length_c 4.73520000\n_cell_angle_alpha 88.08007000\n_cell_angle_beta 60.12060000\n_cell_angle_gamma 75.32395000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.22796581\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70712702 0.04913484 0.54790370 1\n C C1 1 0.78880770 0.79811453 0.71417312 1\n C C2 1 0.95712133 0.29913674 1.04788859 1\n C C3 1 0.03880236 0.04814423 0.21416448 1\n C C4 1 0.28878177 0.29813800 0.71417386 1\n C C5 1 0.20713815 0.54911688 0.54788796 1\n C C6 1 0.53879388 0.54811832 0.21417646 1\n C C7 1 0.45712809 0.79911586 0.04790523 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44490000\n_cell_length_b 3.44193000\n_cell_length_c 11.24453000\n_cell_angle_alpha 82.47208000\n_cell_angle_beta 96.96345000\n_cell_angle_gamma 82.92727000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 129.88775811\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13670079 0.99947752 0.76983046 1\n C C1 1 0.91315578 0.24311945 0.11275062 1\n C C2 1 0.36809481 0.77445139 0.87864899 1\n C C3 1 0.69511671 0.44819968 0.88063977 1\n C C4 1 0.92544879 1.22618199 -0.01464981 1\n C C5 1 0.19290207 -0.03950546 0.18075400 1\n C C6 1 0.27524758 0.85999424 0.66852763 1\n C C7 1 0.67633023 0.46988640 0.30238992 1\n C C8 1 0.31938047 0.30235158 0.46252102 1\n C C9 1 0.54920495 0.11329123 0.37830795 1\n C C10 1 0.67569464 0.47749582 0.16920469 1\n C C11 1 0.53936840 0.59721500 0.53259869 1\n C C12 1 0.18970986 0.94849611 0.53434797 1\n C C13 1 0.32661913 -0.18172206 0.30762783 1\n C C14 1 0.39233630 0.76148699 0.10384044 1\n C C15 1 0.83800984 -0.18052594 0.46268728 1\n C C16 1 0.81715099 1.31695152 0.77055231 1\n C C17 1 0.58317721 0.55067540 0.66827669 1\n C C18 1 1.02937484 0.59304385 0.37826934 1\n C C19 1 0.24400119 0.90895401 0.98171030 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47105000\n_cell_length_b 3.76644000\n_cell_length_c 8.03759000\n_cell_angle_alpha 65.19231000\n_cell_angle_beta 81.14335000\n_cell_angle_gamma 90.00138000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.91928502\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41861734 0.13805968 0.50391454 1\n C C1 1 0.86224279 0.01850435 0.61830600 1\n C C2 1 0.13813291 0.31844467 0.06040678 1\n C C3 1 0.79289510 0.20761266 0.75434604 1\n C C4 1 0.06120990 0.47910504 0.21309415 1\n C C5 1 1.13693786 -0.08413859 0.06294395 1\n C C6 1 0.69586217 0.52660586 -0.05222983 1\n C C7 1 0.69523745 0.91202621 -0.05043416 1\n C C8 1 0.50706565 0.36307221 0.32265256 1\n C C9 1 0.79388813 0.58262132 0.75162448 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.12039000\n_cell_length_b 4.17053000\n_cell_length_c 5.52484000\n_cell_angle_alpha 88.38544000\n_cell_angle_beta 92.16948000\n_cell_angle_gamma 98.94737000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.95461060\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41719088 0.44637882 0.46736669 1\n C C1 1 0.65990813 0.69294219 0.60380150 1\n C C2 1 0.41725621 0.44693838 0.98374809 1\n C C3 1 0.65933999 0.69338143 0.84714550 1\n C C4 1 1.16173145 0.19231866 0.59324427 1\n C C5 1 0.16252181 0.19201463 0.85901084 1\n C C6 1 0.90576328 -0.06187532 0.98378482 1\n C C7 1 -0.09399103 0.93822308 0.46741196 1\n C C8 1 0.50590637 0.53959536 0.22575545 1\n C C9 1 0.81855800 0.84431457 0.22589418 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44428000\n_cell_length_b 4.18454000\n_cell_length_c 7.74182000\n_cell_angle_alpha 65.34501000\n_cell_angle_beta 108.38190000\n_cell_angle_gamma 89.99820000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.49450967\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71618058 0.94125646 0.95761868 1\n C C1 1 0.17708774 0.46702473 0.91649253 1\n C C2 1 0.60463402 0.52604728 0.34507398 1\n C C3 1 0.55896252 0.25051844 0.30077782 1\n C C4 1 0.20237708 0.79709442 0.94326783 1\n C C5 1 0.77116595 0.24266066 0.01076526 1\n C C6 1 0.35705612 0.61985405 0.59550073 1\n C C7 1 -0.04574524 0.57734142 0.69317011 1\n C C8 1 0.13548866 0.69161730 0.37644764 1\n C C9 1 1.00873006 0.11064213 0.24986722 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.74460000\n_cell_length_b 3.62061000\n_cell_length_c 4.80990000\n_cell_angle_alpha 67.86948000\n_cell_angle_beta 89.29753000\n_cell_angle_gamma 89.47605000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.27146181\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12143563 0.48360099 0.17122414 1\n C C1 1 0.87841433 1.04345564 0.67041929 1\n C C2 1 0.87830961 0.10194025 0.17134373 1\n C C3 1 0.87878243 0.88876443 -0.01998783 1\n C C4 1 -0.12100238 0.44851800 0.47914090 1\n C C5 1 0.87877905 0.82987249 0.47940857 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39789000\n_cell_length_b 3.39841000\n_cell_length_c 4.11461000\n_cell_angle_alpha 101.46561000\n_cell_angle_beta 101.47533000\n_cell_angle_gamma 93.88749000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.34826086\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28541601 0.99759383 0.48518116 1\n C C1 1 -0.09663084 0.13508910 0.27558402 1\n C C2 1 0.54470539 0.77710071 0.27174495 1\n C C3 1 -0.04112840 0.18983779 0.93048515 1\n C C4 1 1.09351644 0.80662882 0.72042385 1\n C C5 1 0.76525943 0.51730749 0.48495700 1\n C C6 1 0.57571056 0.32530338 0.72071537 1\n C C7 1 0.31404712 0.54535477 0.93308300 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43165000\n_cell_length_b 4.11376000\n_cell_length_c 8.41553000\n_cell_angle_alpha 102.18771000\n_cell_angle_beta 106.74329000\n_cell_angle_gamma 90.02999000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 78.62720611\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43861333 0.63065936 0.17117078 1\n C C1 1 0.17284222 -0.03411126 0.40883158 1\n C C2 1 0.02079306 -0.27290294 0.25276429 1\n C C3 1 0.25021659 0.47459723 -0.01297531 1\n C C4 1 0.21860058 0.11113578 -0.04397940 1\n C C5 1 0.69867304 0.94758374 0.93612644 1\n C C6 1 0.66678256 0.58304338 0.90389832 1\n C C7 1 0.47918190 0.42556556 0.71970346 1\n C C8 1 0.89709580 0.32912722 0.63807367 1\n C C9 1 0.74527402 0.09175295 0.48162466 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58065000\n_cell_length_b 4.62887000\n_cell_length_c 4.24507000\n_cell_angle_alpha 81.86196000\n_cell_angle_beta 104.20351000\n_cell_angle_gamma 100.91889000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.02790994\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35889663 0.64158404 0.59585647 1\n C C1 1 0.17666288 0.38835730 0.77091624 1\n C C2 1 0.14822048 0.38420654 0.09947609 1\n C C3 1 0.26771843 0.67075660 0.23784848 1\n C C4 1 0.56970652 0.91694745 0.75174363 1\n C C5 1 0.05736524 0.10140615 0.63266245 1\n C C6 1 0.75616183 0.85456871 1.11863465 1\n C C7 1 0.96713990 0.13056801 0.27461538 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42692000\n_cell_length_b 4.88059000\n_cell_length_c 4.22863000\n_cell_angle_alpha 93.03771000\n_cell_angle_beta 89.99054000\n_cell_angle_gamma 119.87786000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34921310\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65762859 0.73626671 0.97178318 1\n C C1 1 0.31485126 -0.10638034 0.99248350 1\n C C2 1 0.24493526 0.32401075 0.56176449 1\n C C3 1 0.72443602 0.30349645 0.40438334 1\n C C4 1 0.30751124 0.38641812 0.91172620 1\n C C5 1 0.66470353 0.24354042 0.05443209 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49259000\n_cell_length_b 4.78497000\n_cell_length_c 10.74118000\n_cell_angle_alpha 80.18133000\n_cell_angle_beta 74.89641000\n_cell_angle_gamma 74.74595000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 118.60947623\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56723627 0.73213991 0.94663797 1\n C C1 1 0.95819590 0.88632220 0.99419557 1\n C C2 1 0.12379188 0.24302970 0.81284946 1\n C C3 1 0.99599319 0.44805211 0.11665508 1\n C C4 1 0.24780012 0.88606665 0.20100155 1\n C C5 1 0.68941903 0.75085926 0.80587360 1\n C C6 1 0.61642238 0.43348548 1.02793386 1\n C C7 1 0.44987161 0.31051937 0.52038707 1\n C C8 1 0.20269482 0.56643170 0.60221228 1\n C C9 1 -0.17376970 0.71422738 0.41202519 1\n C C10 1 0.02122017 0.51393139 0.74247310 1\n C C11 1 0.66158791 0.74553364 0.55499824 1\n C C12 1 0.03245838 0.37006065 0.43215393 1\n C C13 1 0.31391616 0.85000411 0.34787201 1\n C C14 1 0.43795820 0.01018624 0.73832895 1\n C C15 1 -0.49538844 0.03047646 0.60271834 1\n C C16 1 0.93569058 0.21041746 0.22915937 1\n C C17 1 0.87997060 0.19341618 0.94554679 1\n C C18 1 0.29805536 0.18817478 0.31989453 1\n C C19 1 0.85637136 0.78110386 0.13723721 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49986000\n_cell_length_b 4.11333000\n_cell_length_c 10.12238000\n_cell_angle_alpha 93.72409000\n_cell_angle_beta 87.63148000\n_cell_angle_gamma 87.35976000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.65325274\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37368286 0.18289723 0.36922935 1\n C C1 1 0.28927438 0.76622622 0.67447444 1\n C C2 1 0.08937831 0.86073761 0.80952961 1\n C C3 1 0.41404565 0.15268369 1.02165923 1\n C C4 1 0.86774003 0.40789405 0.36526832 1\n C C5 1 0.34942530 0.33679733 0.89413867 1\n C C6 1 -0.04994291 0.92484128 1.03208689 1\n C C7 1 0.33466659 0.07675435 0.60985918 1\n C C8 1 0.40147181 0.32581751 0.15696044 1\n C C9 1 0.39882079 1.02342115 0.23176996 1\n C C10 1 0.88892005 0.49646135 0.21044592 1\n C C11 1 0.81423486 0.59784613 0.61888526 1\n C C12 1 0.87620601 0.21326239 0.81309390 1\n C C13 1 0.35616500 0.92666065 0.46905742 1\n C C14 1 0.85477774 -0.30119535 0.46881357 1\n C C15 1 0.13522556 0.69419036 0.91551181 1\n C C16 1 0.91075943 0.84544639 0.18264286 1\n C C17 1 -0.16555488 0.25766446 0.65775168 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46519000\n_cell_length_b 6.43414000\n_cell_length_c 7.44138000\n_cell_angle_alpha 123.57273000\n_cell_angle_beta 80.36938000\n_cell_angle_gamma 101.02448000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 96.25264197\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08719094 0.31563366 0.83407022 1\n C C1 1 0.86920307 0.03773834 0.65559574 1\n C C2 1 0.14848324 0.73569502 0.78337211 1\n C C3 1 0.47185116 -0.08485132 0.33334456 1\n C C4 1 0.36616462 0.90873440 0.53454950 1\n C C5 1 0.58070013 0.63234190 0.81548807 1\n C C6 1 0.78965614 0.11022803 0.88128001 1\n C C7 1 0.21944503 0.02584782 0.93661044 1\n C C8 1 0.72022013 0.52008205 0.42971093 1\n C C9 1 0.47039011 0.44042121 0.84281656 1\n C C10 1 0.23925255 0.66151126 0.53182474 1\n C C11 1 0.02669330 -0.04404581 0.26576339 1\n C C12 1 0.68262158 0.28047471 0.27212935 1\n C C13 1 0.15203236 0.12820072 0.18048699 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47138000\n_cell_length_b 3.22136000\n_cell_length_c 5.95078000\n_cell_angle_alpha 60.16284000\n_cell_angle_beta 101.74194000\n_cell_angle_gamma 112.22820000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.03451450\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90360719 0.90083935 0.33815950 1\n C C1 1 0.23109735 0.18882335 0.70932222 1\n C C2 1 0.21344089 0.89457489 0.96386312 1\n C C3 1 0.71239556 0.73939620 1.11698197 1\n C C4 1 0.54112664 0.18098483 0.33517338 1\n C C5 1 0.73173467 0.34309027 0.55608671 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48099000\n_cell_length_b 3.68903000\n_cell_length_c 4.84451000\n_cell_angle_alpha 111.59172000\n_cell_angle_beta 75.18838000\n_cell_angle_gamma 70.33964000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98957760\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61609708 0.80650788 0.17079326 1\n C C1 1 0.59314280 0.14943400 0.87323941 1\n C C2 1 0.31806008 0.62320150 -0.05129348 1\n C C3 1 0.30207596 0.86188796 0.74231131 1\n C C4 1 0.34283600 0.27977408 0.24573763 1\n C C5 1 0.63260748 0.56770139 0.37716017 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47425000\n_cell_length_b 4.80382000\n_cell_length_c 4.80414000\n_cell_angle_alpha 61.93489000\n_cell_angle_beta 75.08461000\n_cell_angle_gamma 104.91262000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.63109446\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67950669 0.45788659 0.63792881 1\n C C1 1 0.67913151 0.77084028 0.95086792 1\n C C2 1 0.67950669 -0.04211341 0.13792881 1\n C C3 1 1.01305137 0.85427956 0.36742980 1\n C C4 1 0.01265028 0.54114168 1.05467246 1\n C C5 1 0.67913151 0.27084028 0.45086792 1\n C C6 1 1.01265028 0.04114168 0.55467246 1\n C C7 1 0.01305137 0.35427956 0.86742980 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43048000\n_cell_length_b 4.87360000\n_cell_length_c 5.76228000\n_cell_angle_alpha 126.24928000\n_cell_angle_beta 90.01771000\n_cell_angle_gamma 119.85428000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.29678392\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24281924 0.10959678 0.39483018 1\n C C1 1 0.95305004 0.82017297 0.04460176 1\n C C2 1 0.02560138 0.39270713 0.53645543 1\n C C3 1 1.31571949 0.68294977 0.88677862 1\n C C4 1 0.31500490 0.68198875 0.47540816 1\n C C5 1 -0.04748355 0.81981750 0.45530505 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47160000\n_cell_length_b 3.22297000\n_cell_length_c 5.74851000\n_cell_angle_alpha 79.83540000\n_cell_angle_beta 64.52439000\n_cell_angle_gamma 67.52966000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.19697630\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44729632 0.10817056 0.48292711 1\n C C1 1 0.84464220 0.75390549 0.26378192 1\n C C2 1 0.48274950 0.47611843 0.26333386 1\n C C3 1 0.53271940 0.12060580 0.89171046 1\n C C4 1 0.87962828 0.12080039 0.04461057 1\n C C5 1 0.79422690 1.10845533 0.63571219 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42879000\n_cell_length_b 3.69500000\n_cell_length_c 6.39995000\n_cell_angle_alpha 122.30049000\n_cell_angle_beta 79.15097000\n_cell_angle_gamma 111.96361000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.01935167\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76622534 0.57341787 1.01752533 1\n C C1 1 0.21022441 0.57369232 0.12900874 1\n C C2 1 0.54302333 0.57255688 0.46201341 1\n C C3 1 0.09967546 0.57391000 0.35110005 1\n C C4 1 0.43198115 0.57213963 0.68382065 1\n C C5 1 0.87569172 0.57165609 0.79511783 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26282000\n_cell_length_b 3.63856000\n_cell_length_c 4.82077000\n_cell_angle_alpha 112.14022000\n_cell_angle_beta 116.23432000\n_cell_angle_gamma 99.33002000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.67156232\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42231125 0.24993952 0.09292670 1\n C C1 1 0.42159735 0.30972123 0.59254655 1\n C C2 1 0.42577493 1.03636802 0.28572496 1\n C C3 1 0.42279654 0.65533838 0.28514379 1\n C C4 1 0.42447942 0.69085330 0.59320651 1\n C C5 1 0.42526110 0.09632225 0.78548050 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30212000\n_cell_length_b 3.92040000\n_cell_length_c 5.72035000\n_cell_angle_alpha 116.89872000\n_cell_angle_beta 71.45290000\n_cell_angle_gamma 106.31450000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.78401449\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05006952 0.80926537 0.64618942 1\n C C1 1 0.68579242 0.55507101 0.27900396 1\n C C2 1 0.61436486 0.23138853 0.02480266 1\n C C3 1 0.67706701 0.51870318 0.54242391 1\n C C4 1 0.31726987 0.91770559 1.02368374 1\n C C5 1 0.23529529 0.61134467 0.76401810 1\n C C6 1 0.37826354 0.84157306 0.41386968 1\n C C7 1 0.08615405 0.87979632 0.27507049 1\n C C8 1 0.90766146 0.22266920 0.76317152 1\n C C9 1 0.75540657 0.15003488 0.50610263 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51811000\n_cell_length_b 5.48179000\n_cell_length_c 5.83204000\n_cell_angle_alpha 86.88214000\n_cell_angle_beta 90.16287000\n_cell_angle_gamma 117.36035000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.37021609\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58735265 0.82457731 0.22690318 1\n C C1 1 0.45806682 0.19489645 0.32081362 1\n C C2 1 0.69842741 0.43430702 0.71720455 1\n C C3 1 0.25057544 0.98568827 0.52692849 1\n C C4 1 0.19914745 0.93719651 0.91499566 1\n C C5 1 1.12570028 0.36241938 0.32358179 1\n C C6 1 0.24223512 0.98018673 0.15383866 1\n C C7 1 0.27759011 0.51349447 0.56774826 1\n C C8 1 0.32724691 0.56483200 0.10360340 1\n C C9 1 -0.13822478 0.59962137 0.94404825 1\n C C10 1 0.57962245 0.81537012 0.48482878 1\n C C11 1 0.38442356 0.12015128 0.74236876 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46119000\n_cell_length_b 3.35612000\n_cell_length_c 4.91190000\n_cell_angle_alpha 102.49275000\n_cell_angle_beta 114.53610000\n_cell_angle_gamma 104.48769000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.28999977\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36945468 -0.05774110 0.11981640 1\n C C1 1 0.61071041 0.32966106 0.44233816 1\n C C2 1 0.34577527 0.18928905 0.88686563 1\n C C3 1 0.19197477 0.60309641 0.44232244 1\n C C4 1 0.63492833 1.08340422 0.67603674 1\n C C5 1 0.78823024 0.66904945 0.11988934 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04007000\n_cell_length_b 4.42514000\n_cell_length_c 4.85060000\n_cell_angle_alpha 80.66012000\n_cell_angle_beta 76.12457000\n_cell_angle_gamma 65.52950000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.51275678\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26008846 0.66332531 0.41561351 1\n C C1 1 0.26005497 0.66338279 0.91561275 1\n C C2 1 0.59211710 0.32994835 0.91601842 1\n C C3 1 -0.23835750 0.16363501 0.66537407 1\n C C4 1 0.09366010 0.83020551 0.66572967 1\n C C5 1 0.76164748 0.16364927 0.16541289 1\n C C6 1 0.59213960 0.32995721 0.41602677 1\n C C7 1 1.09364639 0.83021915 0.16577773 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43097000\n_cell_length_b 4.10192000\n_cell_length_c 6.12039000\n_cell_angle_alpha 109.16573000\n_cell_angle_beta 92.00024000\n_cell_angle_gamma 92.89311000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.48837246\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06987459 0.25769270 0.08216110 1\n C C1 1 0.56988323 0.67140620 0.66426786 1\n C C2 1 0.57006220 1.00780345 0.33203031 1\n C C3 1 0.07014626 0.42216454 0.91479517 1\n C C4 1 1.06986230 -0.24237717 0.58210879 1\n C C5 1 0.07020174 0.92237209 0.41489931 1\n C C6 1 0.56992957 1.17161694 1.16439420 1\n C C7 1 0.56998351 0.50747506 0.83184796 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.94958000\n_cell_length_b 5.33439000\n_cell_length_c 3.51525000\n_cell_angle_alpha 62.64452000\n_cell_angle_beta 56.45580000\n_cell_angle_gamma 53.14348000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.74363923\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95226108 0.00536118 0.19860249 1\n C C1 1 0.12069201 0.53684851 0.02193050 1\n C C2 1 0.42370760 0.54805764 0.57784851 1\n C C3 1 0.70385594 0.18034291 0.60628092 1\n C C4 1 0.62166909 0.61293547 0.72308235 1\n C C5 1 0.80536324 0.79338477 0.26855304 1\n C C6 1 0.52027171 -0.00017354 0.06067213 1\n C C7 1 0.37303796 0.78808499 0.13084317 1\n C C8 1 0.20509797 0.25627405 0.30783003 1\n C C9 1 -0.09809761 0.24511932 0.75161716 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47596000\n_cell_length_b 4.18403000\n_cell_length_c 4.79518000\n_cell_angle_alpha 115.93469000\n_cell_angle_beta 90.00045000\n_cell_angle_gamma 90.00333000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.67294800\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13957529 0.22743735 0.37146748 1\n C C1 1 0.63922313 0.47172294 0.85974926 1\n C C2 1 0.13976870 0.59680589 0.37109825 1\n C C3 1 0.63934717 0.84181036 0.85948004 1\n C C4 1 0.63960873 0.02058086 0.21692936 1\n C C5 1 1.13944103 0.89425231 0.70457655 1\n C C6 1 0.13926603 0.26461736 0.70486019 1\n C C7 1 0.63973842 0.64968003 0.21673878 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38632000\n_cell_length_b 2.46312000\n_cell_length_c 5.27782000\n_cell_angle_alpha 89.92019000\n_cell_angle_beta 87.22210000\n_cell_angle_gamma 110.98965000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.04417391\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35680176 0.03569468 0.48428775 1\n C C1 1 0.61391724 0.66613406 0.08337957 1\n C C2 1 0.65269820 0.18551001 0.95673329 1\n C C3 1 0.54296367 0.62789749 0.35826827 1\n C C4 1 0.90497424 0.80822864 0.55577774 1\n C C5 1 0.71926959 1.21657211 0.68164168 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47401000\n_cell_length_b 4.28136000\n_cell_length_c 4.11774000\n_cell_angle_alpha 90.00443000\n_cell_angle_beta 90.01222000\n_cell_angle_gamma 89.99784000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61562575\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59767061 0.72361947 0.97927758 1\n C C1 1 0.59878107 0.39019116 0.47925874 1\n C C2 1 0.09761014 0.89021638 0.85405566 1\n C C3 1 0.59878715 0.72348737 0.35405077 1\n C C4 1 1.09770055 0.22364110 -0.02074471 1\n C C5 1 0.59761659 0.39021266 0.85401544 1\n C C6 1 0.09881211 0.89019755 0.47926847 1\n C C7 1 0.09877967 0.22350850 0.35401084 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27329000\n_cell_length_b 3.63513000\n_cell_length_c 3.27160000\n_cell_angle_alpha 75.44093000\n_cell_angle_beta 99.19785000\n_cell_angle_gamma 104.58743000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.26947088\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10605193 0.30194872 0.66645239 1\n C C1 1 0.37353194 0.68366815 0.72172835 1\n C C2 1 0.74527592 0.30157326 0.30508517 1\n C C3 1 0.31975384 0.06531517 0.45553593 1\n C C4 1 0.95893082 0.06490744 1.09361035 1\n C C5 1 0.69154766 0.68348516 0.03788822 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44794000\n_cell_length_b 4.75788000\n_cell_length_c 6.77672000\n_cell_angle_alpha 47.68605000\n_cell_angle_beta 85.93316000\n_cell_angle_gamma 82.23189000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.80772469\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14613525 0.15774904 0.07458181 1\n C C1 1 1.05706716 0.59665199 -0.08759188 1\n C C2 1 0.61262794 0.73418815 0.53522595 1\n C C3 1 0.55617421 0.77483989 0.73749756 1\n C C4 1 -0.29455421 0.05721918 0.99011433 1\n C C5 1 0.53189117 0.19924951 0.55122804 1\n C C6 1 0.92482976 0.65971935 1.09938949 1\n C C7 1 1.02348827 0.29896072 0.37393689 1\n C C8 1 0.10142864 0.97179783 0.36587149 1\n C C9 1 0.61898872 0.32568003 0.69022952 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.86694000\n_cell_length_b 5.17153000\n_cell_length_c 4.79728000\n_cell_angle_alpha 70.57831000\n_cell_angle_beta 109.91169000\n_cell_angle_gamma 116.34947000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.52184765\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78626982 0.21979081 0.72149916 1\n C C1 1 0.41039313 0.03215513 0.53302175 1\n C C2 1 0.28230162 0.74303469 0.69401435 1\n C C3 1 0.91402057 0.05851198 0.01137171 1\n C C4 1 0.28284445 0.19358819 0.24317462 1\n C C5 1 0.59977918 0.74779617 0.00609033 1\n C C6 1 0.91446900 0.50881738 0.56017542 1\n C C7 1 0.59721213 0.50411805 0.24844186 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45479000\n_cell_length_b 7.28214000\n_cell_length_c 5.87216000\n_cell_angle_alpha 105.62356000\n_cell_angle_beta 114.69179000\n_cell_angle_gamma 89.99214000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 91.08932878\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14468526 0.47037826 0.14779121 1\n C C1 1 0.10937998 0.34720418 0.60952045 1\n C C2 1 0.85382630 0.75806354 0.35533359 1\n C C3 1 0.71043132 0.57263590 0.21325768 1\n C C4 1 0.52651046 0.17046319 0.02779086 1\n C C5 1 0.20892431 0.55393911 0.71025412 1\n C C6 1 0.70184322 1.03336092 0.20215312 1\n C C7 1 0.04779805 0.27676887 0.04961183 1\n C C8 1 0.40668958 -0.04346597 0.90855031 1\n C C9 1 0.36787353 1.04729176 0.36815817 1\n C C10 1 0.76977256 -0.13603730 0.77091902 1\n C C11 1 0.74497135 0.65230597 0.74658730 1\n C C12 1 0.46358266 0.86151683 0.46548987 1\n C C13 1 0.55025032 0.24994273 0.55048337 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46889000\n_cell_length_b 3.22804000\n_cell_length_c 5.17888000\n_cell_angle_alpha 92.31679000\n_cell_angle_beta 89.94167000\n_cell_angle_gamma 112.33122000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.14276040\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33997385 0.31179449 0.87342608 1\n C C1 1 0.51313293 0.65746577 0.65586500 1\n C C2 1 0.53036765 0.69005471 0.09495147 1\n C C3 1 0.01414202 0.65882738 0.50299891 1\n C C4 1 0.02960318 0.68888280 0.24775472 1\n C C5 1 0.70219318 0.03492415 0.87587612 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44874000\n_cell_length_b 3.47641000\n_cell_length_c 4.23981000\n_cell_angle_alpha 89.89078000\n_cell_angle_beta 90.02537000\n_cell_angle_gamma 91.63217000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.81135542\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81712548 0.25595642 -0.10171228 1\n C C1 1 0.41448620 0.68800246 0.23288407 1\n C C2 1 0.66930412 0.94035641 0.39535744 1\n C C3 1 0.15853397 0.45122197 0.39548666 1\n C C4 1 0.75381033 0.87581156 0.73064204 1\n C C5 1 0.90725645 0.19517425 0.23323735 1\n C C6 1 0.47595286 0.59823900 0.89840007 1\n C C7 1 0.09443119 0.53405333 0.73048344 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.63184000\n_cell_length_b 3.00523000\n_cell_length_c 8.23498000\n_cell_angle_alpha 97.18613000\n_cell_angle_beta 93.61699000\n_cell_angle_gamma 115.43524000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 101.82825705\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73499950 0.69311532 1.04590840 1\n C C1 1 0.62429369 0.60567748 0.30815618 1\n C C2 1 0.19175169 0.18847125 0.89868716 1\n C C3 1 0.13336128 0.95735310 0.60115442 1\n C C4 1 0.87171010 0.81910423 0.90253230 1\n C C5 1 0.66563359 0.56212695 0.75312256 1\n C C6 1 0.33306491 1.23781782 0.75021435 1\n C C7 1 0.15354535 0.74102252 0.28636774 1\n C C8 1 0.27717161 0.01946677 0.45651897 1\n C C9 1 0.80028375 0.64396614 0.60486416 1\n C C10 1 0.58336627 0.42506991 0.46083310 1\n C C11 1 0.86394898 -0.28592909 0.21211478 1\n C C12 1 0.39561535 0.47807340 1.04106118 1\n C C13 1 0.34548522 0.56877139 0.20994081 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20660000\n_cell_length_b 5.36105000\n_cell_length_c 6.37403000\n_cell_angle_alpha 54.58230000\n_cell_angle_beta 67.24584000\n_cell_angle_gamma 64.75399000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 104.03862523\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63461696 0.84272002 0.07499796 1\n C C1 1 0.11258656 1.27062165 0.35894377 1\n C C2 1 0.92190511 0.69933489 0.64457204 1\n C C3 1 0.82631177 0.41413012 0.78766534 1\n C C4 1 0.49277413 0.41412593 0.78764748 1\n C C5 1 0.20677610 0.55658807 0.21697906 1\n C C6 1 0.25544768 0.69943406 0.64473364 1\n C C7 1 0.35083395 -0.01518518 0.50135692 1\n C C8 1 0.68444477 0.98482806 0.50133757 1\n C C9 1 0.39721896 0.12872781 -0.06860701 1\n C C10 1 0.54041720 0.55661672 0.21711677 1\n C C11 1 -0.03174108 0.84277405 0.07508525 1\n C C12 1 1.06336674 0.12873451 0.93156578 1\n C C13 1 0.77883626 0.27064719 0.35908202 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46920000\n_cell_length_b 3.23826000\n_cell_length_c 5.18500000\n_cell_angle_alpha 90.59779000\n_cell_angle_beta 89.98433000\n_cell_angle_gamma 67.43331000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.28195093\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53300838 0.73867411 0.51727122 1\n C C1 1 1.02844428 0.74919038 1.10779289 1\n C C2 1 0.34935482 0.10515780 0.73683757 1\n C C3 1 0.52826326 0.74919873 0.95499930 1\n C C4 1 0.70971131 0.38280057 0.73648239 1\n C C5 1 1.03323085 -0.26129719 0.36457043 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49109000\n_cell_length_b 3.59525000\n_cell_length_c 4.35053000\n_cell_angle_alpha 84.27400000\n_cell_angle_beta 106.63970000\n_cell_angle_gamma 110.34824000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00245814\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07435802 1.02301924 0.29628636 1\n C C1 1 0.59904702 0.65235457 0.71446965 1\n C C2 1 0.68149228 0.02334035 0.50887421 1\n C C3 1 0.78638578 0.65220676 0.09082689 1\n C C4 1 0.15609353 0.39339136 0.09060095 1\n C C5 1 0.96853627 0.39350692 0.71428844 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45666000\n_cell_length_b 3.65953000\n_cell_length_c 6.38007000\n_cell_angle_alpha 74.97690000\n_cell_angle_beta 89.91712000\n_cell_angle_gamma 109.57197000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.95082765\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02513671 0.43667357 0.75976108 1\n C C1 1 0.47164132 0.33218737 0.86425700 1\n C C2 1 -0.03023519 0.32793283 0.38537608 1\n C C3 1 0.74626729 0.87999816 0.43644997 1\n C C4 1 0.75004617 0.88633820 0.18678300 1\n C C5 1 0.37248155 0.13164015 0.10052203 1\n C C6 1 0.52633500 0.43844452 0.23878884 1\n C C7 1 0.12469445 0.63631119 0.52325451 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45698000\n_cell_length_b 2.53491000\n_cell_length_c 6.43359000\n_cell_angle_alpha 80.98740000\n_cell_angle_beta 90.48631000\n_cell_angle_gamma 91.52882000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.56066459\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30672592 0.63811589 0.73777401 1\n C C1 1 0.30765580 0.53593691 0.96858565 1\n C C2 1 0.80880976 0.35323416 0.29695960 1\n C C3 1 0.30944972 0.28968545 0.40337207 1\n C C4 1 0.80844609 0.47845784 0.07538715 1\n C C5 1 0.30806773 0.17846064 0.63433302 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46128000\n_cell_length_b 3.35574000\n_cell_length_c 4.48583000\n_cell_angle_alpha 111.96022000\n_cell_angle_beta 84.63305000\n_cell_angle_gamma 104.47927000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.27069703\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34412213 0.43134234 0.31965617 1\n C C1 1 0.13272039 0.95161877 0.08654521 1\n C C2 1 0.84414940 0.53669603 0.53023084 1\n C C3 1 0.05118758 1.01713550 0.76436643 1\n C C4 1 0.55128923 0.67835044 0.08654977 1\n C C5 1 0.63258227 0.29071672 0.76441847 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48316000\n_cell_length_b 7.04783000\n_cell_length_c 6.43089000\n_cell_angle_alpha 104.68316000\n_cell_angle_beta 101.16269000\n_cell_angle_gamma 89.97184000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 106.67108435\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63048951 0.68536866 0.39877287 1\n C C1 1 0.32297842 0.42393063 0.78781384 1\n C C2 1 0.49466138 0.95469180 0.13150472 1\n C C3 1 1.03713485 0.23676893 0.21466468 1\n C C4 1 0.46792178 0.24475989 0.07713342 1\n C C5 1 0.22427048 0.25039107 0.59345030 1\n C C6 1 0.87196498 0.73526771 0.87958330 1\n C C7 1 -0.20260837 0.53731864 0.73610317 1\n C C8 1 0.05535771 0.03266661 0.25295091 1\n C C9 1 0.67566823 0.50983442 0.49085525 1\n C C10 1 0.17855740 0.02869952 0.49418222 1\n C C11 1 0.51909048 0.61822102 0.16501487 1\n C C12 1 0.38961955 0.03487810 0.92380280 1\n C C13 1 1.14338749 0.37577033 0.42992761 1\n C C14 1 0.44560021 0.75226969 0.02430314 1\n C C15 1 0.82890603 0.93345994 0.80063061 1\n C C16 1 0.70374465 0.91054761 0.54479646 1\n C C17 1 0.44418253 0.42995453 1.02045243 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.84952000\n_cell_length_b 4.80603000\n_cell_length_c 4.07209000\n_cell_angle_alpha 65.26257000\n_cell_angle_beta 60.34745000\n_cell_angle_gamma 73.09211000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.76756445\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06694078 0.81742537 0.27013236 1\n C C1 1 0.52450998 1.00851567 0.48432552 1\n C C2 1 0.96291408 0.50844026 0.54210241 1\n C C3 1 0.37026846 0.31718850 0.32763826 1\n C C4 1 0.58230761 0.50840053 0.92309808 1\n C C5 1 0.31233035 0.81742537 0.88895767 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48417000\n_cell_length_b 3.82436000\n_cell_length_c 5.98303000\n_cell_angle_alpha 59.64045000\n_cell_angle_beta 77.97231000\n_cell_angle_gamma 71.02579000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31381845\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77387658 0.81473625 0.46111941 1\n C C1 1 0.28402388 0.23839988 0.01717788 1\n C C2 1 0.53417717 0.51383296 0.23978551 1\n C C3 1 0.73558605 0.16804190 0.18212382 1\n C C4 1 0.11038120 0.75079536 0.85400823 1\n C C5 1 0.49831803 0.86738441 0.96023185 1\n C C6 1 0.16221611 0.93072304 0.56749366 1\n C C7 1 0.98606098 0.44309010 0.40488633 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47806000\n_cell_length_b 2.47836000\n_cell_length_c 6.31110000\n_cell_angle_alpha 89.95881000\n_cell_angle_beta 101.33226000\n_cell_angle_gamma 120.03363000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68303926\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39247012 0.04342830 0.77223836 1\n C C1 1 1.00434546 0.35038718 0.68927867 1\n C C2 1 0.45089583 0.57259943 0.35863304 1\n C C3 1 0.55917049 0.12447647 0.02319553 1\n C C4 1 0.84018015 0.26801032 0.44215604 1\n C C5 1 0.28224925 0.48607350 0.10747316 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47351000\n_cell_length_b 4.47069000\n_cell_length_c 4.24880000\n_cell_angle_alpha 68.59393000\n_cell_angle_beta 89.98069000\n_cell_angle_gamma 56.38257000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17272680\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19834240 0.72809321 0.26324358 1\n C C1 1 0.65185926 0.77462680 0.76243566 1\n C C2 1 0.08709422 0.33980284 1.04016098 1\n C C3 1 0.60679968 0.31990915 0.26316820 1\n C C4 1 0.04126445 0.88510286 0.54097870 1\n C C5 1 0.49505098 0.93152295 1.04018089 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51089000\n_cell_length_b 5.01200000\n_cell_length_c 5.67352000\n_cell_angle_alpha 102.55225000\n_cell_angle_beta 90.02835000\n_cell_angle_gamma 90.02610000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.69229014\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71475221 0.33776878 0.73067147 1\n C C1 1 0.21438185 0.10411337 0.00068538 1\n C C2 1 0.21392495 0.90503350 0.18771508 1\n C C3 1 0.21397971 0.41418017 0.40017021 1\n C C4 1 0.21400199 0.61598548 0.05186494 1\n C C5 1 0.71470045 0.08299649 0.83258764 1\n C C6 1 1.21436290 0.67706555 0.59362998 1\n C C7 1 0.71386862 0.97108950 0.35380616 1\n C C8 1 0.21418468 0.39805719 0.14769614 1\n C C9 1 0.71393136 0.27065527 0.46136438 1\n C C10 1 0.71440110 0.84630825 0.59224459 1\n C C11 1 0.21442610 0.51779825 0.79326343 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47386000\n_cell_length_b 4.28067000\n_cell_length_c 4.80273000\n_cell_angle_alpha 63.52830000\n_cell_angle_beta 75.06605000\n_cell_angle_gamma 89.99331000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60076062\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50796145 0.66164437 0.88197411 1\n C C1 1 1.00796145 0.16164437 -0.11802589 1\n C C2 1 -0.30496716 0.84862847 0.50779040 1\n C C3 1 0.25783463 0.07804748 0.38196987 1\n C C4 1 0.44515828 0.26540048 0.00779297 1\n C C5 1 0.75783463 0.57804748 0.38196987 1\n C C6 1 0.19503284 0.34862847 0.50779040 1\n C C7 1 0.94515828 0.76540048 0.00779297 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45784000\n_cell_length_b 3.99114000\n_cell_length_c 6.95823000\n_cell_angle_alpha 86.31718000\n_cell_angle_beta 79.88203000\n_cell_angle_gamma 90.03026000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.05219731\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19397200 0.96413983 0.44196901 1\n C C1 1 0.52411432 0.30854208 0.78041496 1\n C C2 1 0.56138512 0.62029340 0.69927035 1\n C C3 1 1.00833976 0.11221556 0.81183239 1\n C C4 1 0.36804838 0.83820720 0.09206472 1\n C C5 1 0.08386927 0.81138533 0.65596551 1\n C C6 1 0.90952329 0.92728605 1.00795189 1\n C C7 1 0.27163274 0.66290038 0.28971944 1\n C C8 1 0.75565455 0.46733740 0.32096922 1\n C C9 1 0.71462366 0.15512515 0.39991802 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43244000\n_cell_length_b 4.40626000\n_cell_length_c 6.17482000\n_cell_angle_alpha 65.41253000\n_cell_angle_beta 77.17868000\n_cell_angle_gamma 81.14266000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.53815494\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61423018 0.60511718 0.96175803 1\n C C1 1 0.61457744 0.27267091 0.62812207 1\n C C2 1 0.61466618 0.27258464 0.12796358 1\n C C3 1 0.11419974 0.77269807 0.37876869 1\n C C4 1 0.11381083 0.10516405 0.21248364 1\n C C5 1 0.11378085 0.10519686 0.71256070 1\n C C6 1 0.11424399 0.77264585 0.87868043 1\n C C7 1 0.61415510 0.60519373 0.46192475 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.69214000\n_cell_length_b 3.71220000\n_cell_length_c 4.13826000\n_cell_angle_alpha 85.83937000\n_cell_angle_beta 115.15488000\n_cell_angle_gamma 112.91036000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.45208370\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24814318 0.30557165 0.18286146 1\n C C1 1 0.41349841 0.76018406 0.74495272 1\n C C2 1 0.73650332 0.18386696 0.59469062 1\n C C3 1 0.28665325 0.69307026 0.33362509 1\n C C4 1 0.24654016 0.36183495 0.81353600 1\n C C5 1 0.96185113 1.00393245 0.21544551 1\n C C6 1 0.71562113 0.84872527 0.83473952 1\n C C7 1 0.73918414 0.45160638 0.86488424 1\n C C8 1 0.98497197 0.60647531 0.24437501 1\n C C9 1 0.45406875 0.09151359 0.26654392 1\n C C10 1 -0.03590483 0.27127531 0.48433951 1\n C C11 1 0.45183789 0.14756430 0.89612589 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37301000\n_cell_length_b 4.27143000\n_cell_length_c 4.80865000\n_cell_angle_alpha 89.25465000\n_cell_angle_beta 123.40477000\n_cell_angle_gamma 121.94338000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.13255879\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71698586 0.45839614 0.74126337 1\n C C1 1 0.65217312 0.94328156 0.92988433 1\n C C2 1 0.96223519 0.75323442 0.05951928 1\n C C3 1 0.02755630 0.26860412 0.87138872 1\n C C4 1 0.70690750 0.48555716 0.21932671 1\n C C5 1 0.05079609 0.12144601 0.58413116 1\n C C6 1 0.62833100 0.08997286 0.21711338 1\n C C7 1 0.97296515 0.72634532 0.58187134 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48437000\n_cell_length_b 4.77509000\n_cell_length_c 4.99752000\n_cell_angle_alpha 96.60043000\n_cell_angle_beta 89.99095000\n_cell_angle_gamma 74.98715000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.85523682\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05145830 0.22947828 0.73232691 1\n C C1 1 0.91521949 0.50201601 0.93808158 1\n C C2 1 0.78287241 0.77180378 0.78285347 1\n C C3 1 0.40920385 0.51322663 0.40666445 1\n C C4 1 0.54983206 0.23264003 0.54641487 1\n C C5 1 0.19540736 0.94804458 0.87011763 1\n C C6 1 0.82169861 0.68920125 0.49366544 1\n C C7 1 0.38762461 0.55614552 0.10987963 1\n C C8 1 0.21495377 0.90601858 0.16778900 1\n C C9 1 0.68838475 0.96011463 0.34045561 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52435000\n_cell_length_b 4.36866000\n_cell_length_c 4.44684000\n_cell_angle_alpha 106.09066000\n_cell_angle_beta 99.08996000\n_cell_angle_gamma 85.85309000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.50592523\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84008692 0.56282620 0.85500448 1\n C C1 1 0.89427633 1.01612230 0.49057922 1\n C C2 1 1.11838248 0.03756708 0.83448784 1\n C C3 1 0.31906600 0.76966774 0.96418902 1\n C C4 1 0.27993962 0.47690348 0.34992221 1\n C C5 1 0.81697119 0.38418704 0.50576875 1\n C C6 1 0.35725630 0.83630691 0.32965071 1\n C C7 1 0.06753896 0.32517915 1.01899296 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51386000\n_cell_length_b 4.72948000\n_cell_length_c 8.97783000\n_cell_angle_alpha 80.06161000\n_cell_angle_beta 108.89157000\n_cell_angle_gamma 106.62581000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 96.39089339\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53898411 0.33624221 0.42812442 1\n C C1 1 0.08677752 0.72706472 0.81399321 1\n C C2 1 0.64392517 0.21277175 0.94740802 1\n C C3 1 0.27543325 0.57194920 0.10822206 1\n C C4 1 0.61296323 0.12914737 0.10352150 1\n C C5 1 1.13693123 0.80657951 0.30511757 1\n C C6 1 0.38048866 0.98822657 0.44477587 1\n C C7 1 0.93644785 0.66048267 0.65729093 1\n C C8 1 -0.03177964 0.93031069 0.54779570 1\n C C9 1 -0.00717603 0.52132846 0.94072912 1\n C C10 1 0.22787033 0.18169168 0.65745002 1\n C C11 1 0.53271169 -0.15180248 0.19651221 1\n C C12 1 0.78230139 0.40233591 0.17581847 1\n C C13 1 0.75841641 0.36314038 0.60712212 1\n C C14 1 1.00760664 0.46089165 0.34661455 1\n C C15 1 0.34092420 1.03903591 0.82007783 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44301000\n_cell_length_b 5.36337000\n_cell_length_c 6.91560000\n_cell_angle_alpha 54.30501000\n_cell_angle_beta 79.80091000\n_cell_angle_gamma 62.95281000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.05229712\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45821177 0.67774908 0.99481233 1\n C C1 1 0.31452586 0.40354268 0.82901806 1\n C C2 1 1.14334624 0.48369997 0.01122843 1\n C C3 1 0.76727136 1.06352704 0.60647325 1\n C C4 1 0.83713551 0.09727486 0.39966259 1\n C C5 1 0.22135068 1.04645044 0.73082131 1\n C C6 1 0.67887221 -0.15799405 0.23005594 1\n C C7 1 0.28892334 0.75751193 1.17710696 1\n C C8 1 -0.07410333 0.31869349 0.77629161 1\n C C9 1 0.38190547 0.11482206 0.27521201 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42764000\n_cell_length_b 6.34656000\n_cell_length_c 4.87914000\n_cell_angle_alpha 41.72929000\n_cell_angle_beta 60.09240000\n_cell_angle_gamma 67.42829000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.36421538\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56278778 0.14548976 0.38177875 1\n C C1 1 0.62748223 0.71193959 0.24892001 1\n C C2 1 0.62304748 0.79617925 0.67079015 1\n C C3 1 0.97824271 0.65168586 -0.04011077 1\n C C4 1 0.04011107 0.30243508 0.24825917 1\n C C5 1 0.97107034 0.73553034 0.38234018 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48068000\n_cell_length_b 2.48090000\n_cell_length_c 8.66488000\n_cell_angle_alpha 73.36457000\n_cell_angle_beta 73.35499000\n_cell_angle_gamma 59.97503000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.57398728\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08254957 0.08379947 0.86625868 1\n C C1 1 0.12452065 0.12612592 0.30341301 1\n C C2 1 0.29243472 0.29430393 0.55150060 1\n C C3 1 0.95757269 -0.04271713 0.05500837 1\n C C4 1 0.24904080 0.24890618 0.11771483 1\n C C5 1 0.45792415 0.45928125 0.80320799 1\n C C6 1 0.58388918 0.58597438 0.61421581 1\n C C7 1 0.41621414 0.41825570 0.36564712 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49944000\n_cell_length_b 4.84195000\n_cell_length_c 5.72852000\n_cell_angle_alpha 54.94617000\n_cell_angle_beta 64.04274000\n_cell_angle_gamma 89.89898000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.00288861\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17122865 -0.01714604 0.32822165 1\n C C1 1 0.42087007 0.19871862 0.57779344 1\n C C2 1 0.50740040 0.57926203 -0.00873374 1\n C C3 1 0.12563524 0.27769331 0.37305680 1\n C C4 1 0.55241486 0.28432654 0.94655000 1\n C C5 1 0.48688069 0.77238590 0.51238661 1\n C C6 1 0.25764697 0.36352988 0.74165792 1\n C C7 1 0.19154182 0.78978828 0.80718701 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44463000\n_cell_length_b 9.51262000\n_cell_length_c 6.48535000\n_cell_angle_alpha 50.48476000\n_cell_angle_beta 79.24202000\n_cell_angle_gamma 90.05785000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 112.86624553\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17184798 -0.01866765 0.04225392 1\n C C1 1 0.50007918 0.20361014 0.38573080 1\n C C2 1 0.09506637 0.77966039 0.20210785 1\n C C3 1 0.43105222 1.01040897 0.52368026 1\n C C4 1 -0.14947786 0.72913334 0.68978487 1\n C C5 1 0.27708218 0.61292611 0.83829033 1\n C C6 1 0.59966427 0.56306266 0.19384744 1\n C C7 1 0.61575917 0.71541544 0.16048893 1\n C C8 1 0.77615165 0.26652638 0.83226521 1\n C C9 1 0.70689522 0.07350266 0.97151120 1\n C C10 1 0.11915686 0.49810611 0.15338370 1\n C C11 1 0.36357219 0.54738169 0.66529190 1\n C C12 1 -0.09971334 -0.08073770 0.58150931 1\n C C13 1 1.03648742 0.29603497 0.31475744 1\n C C14 1 0.30550985 0.35745022 0.77393061 1\n C C15 1 0.93785295 0.66370847 0.51728885 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.78067000\n_cell_length_b 4.82108000\n_cell_length_c 3.63843000\n_cell_angle_alpha 67.61160000\n_cell_angle_beta 94.00315000\n_cell_angle_gamma 81.86343000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.23588511\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04174259 0.03383136 1.00738756 1\n C C1 1 0.04143169 0.22582906 0.60182372 1\n C C2 1 0.04325391 0.72661530 0.04351618 1\n C C3 1 0.04188282 1.03397839 0.38892777 1\n C C4 1 0.04361973 0.53467808 0.44908044 1\n C C5 1 0.04298087 0.72653710 0.66180953 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27306000\n_cell_length_b 3.26947000\n_cell_length_c 4.23463000\n_cell_angle_alpha 123.92345000\n_cell_angle_beta 84.75990000\n_cell_angle_gamma 80.84684000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.21499173\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41130412 0.10088222 0.05810061 1\n C C1 1 0.14523506 0.53732112 0.43960886 1\n C C2 1 0.77313854 0.73923503 0.05773513 1\n C C3 1 0.19921843 0.65107197 0.82125267 1\n C C4 1 0.82788957 0.85345050 0.43935898 1\n C C5 1 0.55958088 0.28961837 0.82093825 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43068000\n_cell_length_b 3.85186000\n_cell_length_c 4.72410000\n_cell_angle_alpha 96.47944000\n_cell_angle_beta 74.79697000\n_cell_angle_gamma 89.91607000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.38721883\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58193411 0.49762991 0.18363049 1\n C C1 1 0.36047216 0.05307752 0.62769482 1\n C C2 1 0.02832534 0.38403886 0.29284985 1\n C C3 1 -0.08581435 0.16643088 0.51825438 1\n C C4 1 0.69465883 0.71899331 0.96051067 1\n C C5 1 0.24839361 -0.16827038 0.85092829 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.47830000\n_cell_length_b 4.73083000\n_cell_length_c 4.73062000\n_cell_angle_alpha 70.76958000\n_cell_angle_beta 125.41747000\n_cell_angle_gamma 125.41330000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.42660553\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72878921 0.23488635 0.60164298 1\n C C1 1 0.14454004 0.03532062 0.45600138 1\n C C2 1 0.35584599 0.40872822 1.08180342 1\n C C3 1 0.86843639 0.88416990 0.09808743 1\n C C4 1 0.60575582 0.27967700 0.21260745 1\n C C5 1 0.36611509 0.42481118 0.41165614 1\n C C6 1 0.85296874 0.54914765 0.08816681 1\n C C7 1 0.37271876 0.92179614 0.06100259 1\n C C8 1 0.99796549 0.13235279 0.84881655 1\n C C9 1 0.74758151 0.52977864 0.70676674 1\n C C10 1 0.24215585 0.67243940 0.30927414 1\n C C11 1 0.49721155 0.77969737 0.95632686 1\n C C12 1 0.39319442 0.90524770 0.58546378 1\n C C13 1 1.04251644 0.91110116 0.72559763 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46321000\n_cell_length_b 3.39137000\n_cell_length_c 6.39278000\n_cell_angle_alpha 55.56369000\n_cell_angle_beta 78.83505000\n_cell_angle_gamma 68.63678000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.01286425\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45389174 -0.16952969 0.50596621 1\n C C1 1 0.27412664 -0.00379116 0.70378311 1\n C C2 1 0.86616738 0.68596669 0.82954801 1\n C C3 1 0.04672511 0.51986455 0.63155988 1\n C C4 1 0.41560664 1.17741919 0.23084972 1\n C C5 1 0.89653260 0.34184542 0.10483937 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49133000\n_cell_length_b 3.93918000\n_cell_length_c 5.95188000\n_cell_angle_alpha 97.58789000\n_cell_angle_beta 77.89835000\n_cell_angle_gamma 89.99720000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.58921190\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55389781 -0.06042628 0.31888295 1\n C C1 1 0.14855486 0.40439380 0.12858478 1\n C C2 1 0.65421525 0.16586120 1.11752304 1\n C C3 1 0.81673446 0.63868971 0.79693599 1\n C C4 1 0.27186902 0.49483182 0.88775843 1\n C C5 1 -0.04849531 0.47975232 0.52982881 1\n C C6 1 0.33671733 0.14929394 0.75882149 1\n C C7 1 0.79045001 0.00604785 0.85048135 1\n C C8 1 0.45690227 0.24064890 0.51840208 1\n C C9 1 1.04947439 0.70572335 0.32818828 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40698000\n_cell_length_b 3.35057000\n_cell_length_c 4.58026000\n_cell_angle_alpha 111.42346000\n_cell_angle_beta 89.32714000\n_cell_angle_gamma 92.06602000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.64088680\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01249480 0.81791761 0.00577623 1\n C C1 1 0.13493027 0.70454596 0.48077541 1\n C C2 1 0.84736913 0.40599946 0.48023816 1\n C C3 1 0.32179736 0.74615089 0.19527217 1\n C C4 1 0.83409311 0.38345700 0.80020318 1\n C C5 1 0.65467078 0.08084595 0.19508812 1\n C C6 1 0.48768541 0.30638294 0.98108474 1\n C C7 1 0.14251265 0.04688709 0.80073299 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47048000\n_cell_length_b 3.25135000\n_cell_length_c 10.56784000\n_cell_angle_alpha 98.58734000\n_cell_angle_beta 96.67821000\n_cell_angle_gamma 112.39902000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.19559807\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06964483 0.67248702 0.30785508 1\n C C1 1 0.79558442 0.23157079 0.20120084 1\n C C2 1 -0.28179961 0.65382778 0.62481884 1\n C C3 1 0.31035112 0.45105937 0.01095344 1\n C C4 1 0.71041235 0.95169085 0.30910047 1\n C C5 1 0.30390707 0.75503771 0.69491155 1\n C C6 1 0.98473475 0.39263529 0.41963745 1\n C C7 1 0.22284338 0.16858882 0.11881529 1\n C C8 1 0.03716684 0.01197282 0.90029838 1\n C C9 1 0.56169675 0.46987280 0.49616427 1\n C C10 1 0.95054556 0.72909380 1.01191346 1\n C C11 1 0.46025604 -0.06447244 0.82378522 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42642000\n_cell_length_b 4.15020000\n_cell_length_c 6.84881000\n_cell_angle_alpha 64.94716000\n_cell_angle_beta 79.74290000\n_cell_angle_gamma 90.02915000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.25785480\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29418247 0.38536380 0.14487797 1\n C C1 1 0.52110812 0.70491226 0.69680707 1\n C C2 1 0.82257083 -0.06263104 1.07787665 1\n C C3 1 -0.03095912 0.56855498 0.80020777 1\n C C4 1 0.31005492 0.76445442 0.10357302 1\n C C5 1 0.62730706 0.99997894 0.48544461 1\n C C6 1 0.17900891 0.13499939 0.38155071 1\n C C7 1 0.84893771 0.31614875 0.03690491 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42624000\n_cell_length_b 4.22847000\n_cell_length_c 5.86389000\n_cell_angle_alpha 46.09631000\n_cell_angle_beta 89.99097000\n_cell_angle_gamma 90.00028000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34516805\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66849654 0.08779936 0.12820989 1\n C C1 1 0.16840237 0.79825026 0.27310910 1\n C C2 1 1.16858230 0.50951518 0.62239770 1\n C C3 1 0.66854194 0.37676710 0.77911078 1\n C C4 1 0.66802661 0.37624714 0.18894666 1\n C C5 1 0.16800524 0.50925746 1.21275268 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46627000\n_cell_length_b 3.37975000\n_cell_length_c 6.24830000\n_cell_angle_alpha 122.93025000\n_cell_angle_beta 78.63132000\n_cell_angle_gamma 111.37513000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.70713493\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35708928 0.44283261 0.01101532 1\n C C1 1 0.87944946 0.61367924 0.13564511 1\n C C2 1 0.50484931 0.26571039 0.53551546 1\n C C3 1 0.72581377 0.78793390 0.61143079 1\n C C4 1 0.31525449 0.09146622 0.73639670 1\n C C5 1 0.91597061 -0.03738865 0.41040532 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41277000\n_cell_length_b 5.41467000\n_cell_length_c 3.41397000\n_cell_angle_alpha 81.13213000\n_cell_angle_beta 93.89585000\n_cell_angle_gamma 81.20572000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.32878651\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25187830 0.69646060 0.78283736 1\n C C1 1 0.62215031 0.54851527 0.63474883 1\n C C2 1 0.60185646 0.03240413 0.61487721 1\n C C3 1 0.76949841 0.69662490 0.26393803 1\n C C4 1 0.72088851 0.26425600 0.73452878 1\n C C5 1 0.96900477 0.54450625 0.98131095 1\n C C6 1 0.97680403 0.87259794 0.46892148 1\n C C7 1 0.01298550 0.26524414 0.02470478 1\n C C8 1 0.25280097 0.03704504 0.26458061 1\n C C9 1 0.45658484 0.87256213 0.98915407 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43438000\n_cell_length_b 7.69991000\n_cell_length_c 7.48958000\n_cell_angle_alpha 60.92536000\n_cell_angle_beta 79.80702000\n_cell_angle_gamma 84.97078000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 120.76103626\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06823933 0.16507765 -0.03907292 1\n C C1 1 0.60250143 1.04558257 0.57612833 1\n C C2 1 0.13561646 0.76731372 0.46390231 1\n C C3 1 1.00450250 0.37568895 0.80474428 1\n C C4 1 0.53603898 0.47063126 0.71855240 1\n C C5 1 0.06129191 1.04004544 0.66880759 1\n C C6 1 0.37627589 0.06108425 0.08827491 1\n C C7 1 0.04718393 0.60041456 0.13005770 1\n C C8 1 0.60899859 0.67012133 0.54451381 1\n C C9 1 0.52788870 0.69953558 1.09639180 1\n C C10 1 0.00301155 0.00948849 0.87600607 1\n C C11 1 0.65764382 0.07443693 0.36434068 1\n C C12 1 0.09858521 0.39288760 0.20533510 1\n C C13 1 0.47325954 0.91283420 -0.00030059 1\n C C14 1 0.61404081 0.29310864 0.24539229 1\n C C15 1 0.20579311 0.98761263 0.31871193 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43058000\n_cell_length_b 3.07516000\n_cell_length_c 5.88966000\n_cell_angle_alpha 85.41092000\n_cell_angle_beta 78.10711000\n_cell_angle_gamma 90.15738000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.93041111\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06084324 0.88409609 0.61776560 1\n C C1 1 -0.04942244 0.65837775 0.83899710 1\n C C2 1 0.61724423 -0.00828892 0.50566377 1\n C C3 1 0.39417657 0.55076275 0.95109893 1\n C C4 1 0.72750991 0.21742942 0.28443226 1\n C C5 1 0.28391089 0.32504441 0.17233044 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48168000\n_cell_length_b 3.69064000\n_cell_length_c 4.84508000\n_cell_angle_alpha 57.34312000\n_cell_angle_beta 75.12754000\n_cell_angle_gamma 70.30943000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01911076\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08232464 0.09002843 0.66522705 1\n C C1 1 0.30347756 0.85120739 0.45896741 1\n C C2 1 0.82289286 0.03427026 0.23700822 1\n C C3 1 0.62521606 0.50779266 0.16108674 1\n C C4 1 0.50411636 0.37767919 0.53413007 1\n C C5 1 0.04658821 0.79552387 1.03021291 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45671000\n_cell_length_b 3.66356000\n_cell_length_c 7.34386000\n_cell_angle_alpha 68.88035000\n_cell_angle_beta 59.85559000\n_cell_angle_gamma 70.44479000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.34118121\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12900305 1.08294482 0.68556280 1\n C C1 1 0.88450418 0.64460110 0.82295804 1\n C C2 1 0.19362069 0.17930797 0.10603794 1\n C C3 1 0.85934692 0.13677426 0.34286947 1\n C C4 1 1.15960322 0.24522020 0.77235165 1\n C C5 1 0.18050963 0.61750694 -0.03134487 1\n C C6 1 0.90420541 0.01755580 0.01904006 1\n C C7 1 0.20539769 1.12535271 0.44908112 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48283000\n_cell_length_b 3.84181000\n_cell_length_c 3.74855000\n_cell_angle_alpha 90.09340000\n_cell_angle_beta 89.99999000\n_cell_angle_gamma 90.00281000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.75572574\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55391863 0.11413441 0.41119188 1\n C C1 1 0.55407935 0.70329346 0.41231969 1\n C C2 1 0.05389653 0.11508536 0.64678553 1\n C C3 1 1.05407238 0.70431097 0.64783180 1\n C C4 1 0.55393122 0.40902953 0.14380247 1\n C C5 1 0.05394188 0.40989207 -0.08476556 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49007000\n_cell_length_b 6.40060000\n_cell_length_c 8.44448000\n_cell_angle_alpha 109.59271000\n_cell_angle_beta 98.48040000\n_cell_angle_gamma 78.81390000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 123.89062093\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02247117 0.25204383 0.65137246 1\n C C1 1 0.54968262 0.37325340 0.91323728 1\n C C2 1 0.34689488 0.86167792 0.98519042 1\n C C3 1 0.23131981 0.58118164 0.49001470 1\n C C4 1 -0.00505888 0.79241049 0.22494964 1\n C C5 1 0.32626397 0.14999546 0.24500679 1\n C C6 1 0.90140690 0.04502064 0.29234144 1\n C C7 1 0.56235546 0.72000059 0.28920893 1\n C C8 1 0.92288759 0.75269660 1.03094424 1\n C C9 1 0.66359419 0.65316239 0.42556884 1\n C C10 1 0.68578884 1.00017190 0.80206470 1\n C C11 1 0.89998753 0.22349503 0.47017720 1\n C C12 1 0.54597722 0.19583010 0.73002446 1\n C C13 1 0.25263006 0.86155328 0.79862730 1\n C C14 1 0.68952467 0.17746411 0.98507453 1\n C C15 1 0.88696147 0.51166660 0.72964341 1\n C C16 1 0.30973339 0.62069474 0.68381342 1\n C C17 1 0.32395902 0.32862611 0.42288877 1\n C C18 1 0.98158656 0.51196003 0.91638801 1\n C C19 1 0.25646867 0.12103264 0.06362666 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.20406000\n_cell_length_b 4.78191000\n_cell_length_c 9.96867000\n_cell_angle_alpha 94.32548000\n_cell_angle_beta 100.45992000\n_cell_angle_gamma 67.41081000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 138.67167497\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74260217 0.93137662 0.28210845 1\n C C1 1 0.40790219 0.52355110 0.39899369 1\n C C2 1 0.16872348 0.85031858 0.39947776 1\n C C3 1 0.67045408 0.17676595 0.19449050 1\n C C4 1 0.90789774 0.42935014 0.65196243 1\n C C5 1 0.63793046 0.26438158 0.95203607 1\n C C6 1 0.42668299 0.60363445 0.95096975 1\n C C7 1 0.90532746 0.18943616 0.72299759 1\n C C8 1 0.90873346 0.94302955 0.63827541 1\n C C9 1 0.08902921 0.76679035 0.85110789 1\n C C10 1 0.44149792 0.02896095 0.39047230 1\n C C11 1 0.11991152 0.34654941 0.38931339 1\n C C12 1 0.84816158 0.02195426 0.49871217 1\n C C13 1 0.60360999 0.09193154 0.06223060 1\n C C14 1 0.67977643 0.69145089 0.19540825 1\n C C15 1 0.70349041 0.43790439 0.27084458 1\n C C16 1 -0.03759505 0.68770362 0.70873892 1\n C C17 1 0.58126767 0.77613468 0.06303025 1\n C C18 1 0.83784239 0.35510447 0.50208174 1\n C C19 1 0.89069931 0.10330762 0.85686846 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43240000\n_cell_length_b 4.86074000\n_cell_length_c 6.07807000\n_cell_angle_alpha 68.14693000\n_cell_angle_beta 79.42355000\n_cell_angle_gamma 59.79996000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.64535657\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37370362 0.13606126 0.09912146 1\n C C1 1 0.06394715 0.19958714 0.60275873 1\n C C2 1 0.73024264 0.03261496 0.60268275 1\n C C3 1 1.06392469 0.69961197 0.60274230 1\n C C4 1 0.04000083 -0.03091287 0.09904859 1\n C C5 1 0.73022190 0.53263784 0.60266942 1\n C C6 1 0.03997837 0.46911195 0.09903216 1\n C C7 1 0.37368289 0.63608414 0.09910814 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45945000\n_cell_length_b 3.39985000\n_cell_length_c 5.95803000\n_cell_angle_alpha 62.60365000\n_cell_angle_beta 78.06560000\n_cell_angle_gamma 68.76263000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17972597\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07039400 0.02610728 0.19862827 1\n C C1 1 0.30033214 0.63218036 0.13241035 1\n C C2 1 -0.06334308 0.77233734 0.72897535 1\n C C3 1 0.90034254 0.56027862 1.00517063 1\n C C4 1 0.44682231 0.87914038 0.60232120 1\n C C5 1 0.47156977 0.09664281 0.32624771 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46962000\n_cell_length_b 5.18750000\n_cell_length_c 5.98013000\n_cell_angle_alpha 90.37627000\n_cell_angle_beta 89.99314000\n_cell_angle_gamma 90.00244000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.61071222\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63907494 1.01006098 -0.00853343 1\n C C1 1 0.63887587 0.22794126 0.17476931 1\n C C2 1 1.13929690 0.44746392 0.49438032 1\n C C3 1 0.63935841 0.60022717 0.49342113 1\n C C4 1 0.63912819 0.85688645 0.49065264 1\n C C5 1 0.13913424 1.00981427 0.49158484 1\n C C6 1 0.13907576 0.85715333 -0.00951222 1\n C C7 1 0.63915501 0.44774085 -0.00572382 1\n C C8 1 0.13920400 0.22785562 0.67479206 1\n C C9 1 0.63917898 0.22773359 0.81324839 1\n C C10 1 1.13919325 0.60051553 -0.00679684 1\n C C11 1 0.13885594 0.22758623 0.31325664 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.76468000\n_cell_length_b 4.32157000\n_cell_length_c 5.26923000\n_cell_angle_alpha 66.50024000\n_cell_angle_beta 77.45201000\n_cell_angle_gamma 89.09139000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 96.81889835\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62685233 0.61292368 0.69068000 1\n C C1 1 0.35832444 0.84573327 0.13566263 1\n C C2 1 0.29419437 0.60736856 0.68297582 1\n C C3 1 0.34015286 0.19118053 0.15606626 1\n C C4 1 0.36205504 0.53869766 0.41211573 1\n C C5 1 0.65946404 0.96017978 -0.04993601 1\n C C6 1 0.19961965 0.23805110 0.42080222 1\n C C7 1 0.14547647 0.30512149 0.95068340 1\n C C8 1 0.79240190 0.91426555 0.67665115 1\n C C9 1 0.12760642 0.93673218 -0.03251472 1\n C C10 1 0.86189360 0.24373444 0.41944267 1\n C C11 1 0.69565694 0.53526852 0.43031499 1\n C C12 1 0.84643219 0.73759770 0.12257494 1\n C C13 1 0.86792014 0.38075168 0.09984012 1\n C C14 1 0.13358045 0.90717511 0.68589571 1\n C C15 1 0.64225455 0.30891607 -0.02849522 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30453000\n_cell_length_b 3.29942000\n_cell_length_c 4.82599000\n_cell_angle_alpha 102.50642000\n_cell_angle_beta 102.49671000\n_cell_angle_gamma 79.73481000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.67389502\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42373151 0.79140980 0.86311375 1\n C C1 1 0.10752625 0.47553890 0.68960784 1\n C C2 1 0.56652489 -0.10188674 0.40457196 1\n C C3 1 0.78699765 0.42842738 0.86311675 1\n C C4 1 0.89387131 0.57162297 0.40466053 1\n C C5 1 0.33622374 1.01409176 0.14909436 1\n C C6 1 0.00910960 0.34044798 0.14898850 1\n C C7 1 0.47122466 0.11204394 0.68964621 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48361000\n_cell_length_b 3.82427000\n_cell_length_c 5.22785000\n_cell_angle_alpha 81.08732000\n_cell_angle_beta 89.91518000\n_cell_angle_gamma 108.94777000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.32521588\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55614999 0.88262247 0.84022690 1\n C C1 1 0.16831572 0.10573368 0.73390302 1\n C C2 1 0.68127282 0.12676911 0.28969248 1\n C C3 1 0.38223991 0.53330086 0.67831343 1\n C C4 1 0.93082619 0.62827013 0.51278139 1\n C C5 1 0.50569325 0.77728528 0.12748885 1\n C C6 1 0.13263143 1.03157915 0.45527383 1\n C C7 1 0.89358449 0.55481083 0.23399320 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50950000\n_cell_length_b 6.22567000\n_cell_length_c 6.58698000\n_cell_angle_alpha 75.33029000\n_cell_angle_beta 68.18027000\n_cell_angle_gamma 57.68977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.54972295\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55337965 0.58588903 0.46434438 1\n C C1 1 0.60417490 0.70542746 0.23192934 1\n C C2 1 0.18827798 0.21954220 0.66255634 1\n C C3 1 -0.06534293 0.86291581 0.18736581 1\n C C4 1 0.74344744 0.24823385 0.28270063 1\n C C5 1 0.13974565 -0.07754702 -0.05400564 1\n C C6 1 0.43756266 -0.01796349 0.55310522 1\n C C7 1 0.25717087 0.41854306 0.48303304 1\n C C8 1 0.73958222 0.37879058 1.04652607 1\n C C9 1 0.46145214 0.08362796 0.31949648 1\n C C10 1 0.00972601 0.19119733 0.87873453 1\n C C11 1 1.10547474 0.81505362 0.61181422 1\n C C12 1 0.03375689 0.54428712 1.03205446 1\n C C13 1 0.90208446 0.78170839 0.86348121 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44434000\n_cell_length_b 5.46518000\n_cell_length_c 5.71440000\n_cell_angle_alpha 111.41662000\n_cell_angle_beta 115.19876000\n_cell_angle_gamma 90.21150000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.14506111\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45251967 0.82336373 0.31914080 1\n C C1 1 0.49873516 0.75618089 0.86441180 1\n C C2 1 0.80820516 0.86782817 0.17422024 1\n C C3 1 0.54406746 0.58739969 0.40849297 1\n C C4 1 1.02065621 0.17742992 0.38556451 1\n C C5 1 -0.14158730 0.70089654 0.72276961 1\n C C6 1 -0.06832922 0.41330611 0.29605788 1\n C C7 1 0.97321213 0.24423602 0.83995489 1\n C C8 1 0.66361480 0.13263228 0.53006949 1\n C C9 1 0.61577813 0.29981645 0.98184512 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44944000\n_cell_length_b 5.22147000\n_cell_length_c 5.43840000\n_cell_angle_alpha 64.97903000\n_cell_angle_beta 89.98941000\n_cell_angle_gamma 89.99386000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.02782042\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61346660 0.58216358 0.90590845 1\n C C1 1 0.61330163 1.01258630 0.24651415 1\n C C2 1 0.11296491 0.03792074 0.73953515 1\n C C3 1 0.61356210 0.70322844 0.35788013 1\n C C4 1 0.11343379 0.46688931 0.08359759 1\n C C5 1 0.11336520 0.34734699 0.62933917 1\n C C6 1 0.11331564 0.15362001 0.19636084 1\n C C7 1 0.61320629 0.89609917 0.79277693 1\n C C8 1 1.11362376 0.55855539 0.31599598 1\n C C9 1 0.61339630 0.49220946 0.67212332 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47600000\n_cell_length_b 4.18366000\n_cell_length_c 5.38935000\n_cell_angle_alpha 112.74604000\n_cell_angle_beta 117.29967000\n_cell_angle_gamma 90.00466000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.66570880\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72387705 0.31715236 0.23925969 1\n C C1 1 0.37874561 0.52420043 0.39428001 1\n C C2 1 0.37889009 0.89371257 0.39434090 1\n C C3 1 0.36664673 1.13692394 0.88225411 1\n C C4 1 0.72439668 0.94661865 0.23969593 1\n C C5 1 0.36768653 0.76768107 0.88329304 1\n C C6 1 0.71241728 0.56039488 0.72826609 1\n C C7 1 0.71158142 0.18965400 0.72736342 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47254000\n_cell_length_b 4.61954000\n_cell_length_c 5.36441000\n_cell_angle_alpha 104.47721000\n_cell_angle_beta 94.39700000\n_cell_angle_gamma 100.34093000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.88598635\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62258219 0.86242686 0.45793707 1\n C C1 1 0.77015797 0.21822890 0.49821106 1\n C C2 1 0.27726035 0.47890887 0.92704066 1\n C C3 1 0.59329228 0.72772027 0.68226713 1\n C C4 1 0.05323633 0.77366055 0.29004883 1\n C C5 1 0.14955448 0.77907884 0.85505346 1\n C C6 1 0.81425513 0.46319538 1.09081144 1\n C C7 1 0.34540274 0.37473173 0.62983465 1\n C C8 1 0.15009924 0.99539545 0.11698482 1\n C C9 1 0.71908718 0.18890475 0.20037439 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39357000\n_cell_length_b 4.57078000\n_cell_length_c 6.83475000\n_cell_angle_alpha 78.45647000\n_cell_angle_beta 95.35233000\n_cell_angle_gamma 62.70162000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.19402497\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07848701 0.97328402 0.09506864 1\n C C1 1 0.78745986 0.69232016 0.14879058 1\n C C2 1 0.77028223 0.39811712 0.73795932 1\n C C3 1 0.56925094 0.69521939 0.33874341 1\n C C4 1 0.39354721 0.60946410 0.84282238 1\n C C5 1 0.35387497 0.83606354 0.97737483 1\n C C6 1 0.49188211 0.37951580 0.36197450 1\n C C7 1 0.96924298 0.84375071 0.64508804 1\n C C8 1 0.43781428 0.29888559 0.99578016 1\n C C9 1 0.84688369 0.60597180 0.55378619 1\n C C10 1 0.22516207 0.34838227 0.17854700 1\n C C11 1 0.27273365 0.16159059 0.85499323 1\n C C12 1 0.99185221 0.10765775 0.45474933 1\n C C13 1 0.23925730 0.31402667 0.51695009 1\n C C14 1 0.16116099 1.02922763 0.26851412 1\n C C15 1 0.58446832 0.14225267 0.70301199 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48847000\n_cell_length_b 3.35668000\n_cell_length_c 8.87495000\n_cell_angle_alpha 78.77480000\n_cell_angle_beta 101.68558000\n_cell_angle_gamma 91.36581000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 99.80885051\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48439463 0.53061487 0.98820119 1\n C C1 1 0.17024137 0.34514070 0.34404998 1\n C C2 1 -0.03815222 0.73388917 0.24404979 1\n C C3 1 0.56904136 0.61334230 0.15441093 1\n C C4 1 0.27690265 -0.08362387 0.87986807 1\n C C5 1 0.46918587 0.22616791 0.25855899 1\n C C6 1 0.58461025 0.12916188 0.79718659 1\n C C7 1 0.24830191 0.24386695 0.51961620 1\n C C8 1 0.79056127 0.40356818 -0.09402293 1\n C C9 1 0.95437718 -0.05311118 0.51999031 1\n C C10 1 0.17896564 0.19259887 -0.01158174 1\n C C11 1 0.51813123 0.38282225 0.63670110 1\n C C12 1 0.88647642 0.78715060 0.79727586 1\n C C13 1 0.80012899 0.69133141 0.63699494 1\n C C14 1 0.85484753 1.02231075 0.34417239 1\n C C15 1 0.26329993 -0.05675999 0.15442564 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47526000\n_cell_length_b 4.24683000\n_cell_length_c 3.72196000\n_cell_angle_alpha 64.06188000\n_cell_angle_beta 89.95836000\n_cell_angle_gamma 89.99437000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18405694\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07513452 0.92226821 0.43801199 1\n C C1 1 0.42462051 0.42292760 -0.01626287 1\n C C2 1 0.92465573 0.92199739 1.02996911 1\n C C3 1 0.42473795 0.14482833 0.82713961 1\n C C4 1 0.92463384 0.64422870 0.87270850 1\n C C5 1 0.42482729 0.14502318 0.41873815 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48170000\n_cell_length_b 3.68809000\n_cell_length_c 4.89536000\n_cell_angle_alpha 67.03870000\n_cell_angle_beta 59.51378000\n_cell_angle_gamma 70.35656000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00850163\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63763875 -0.03498203 0.71211937 1\n C C1 1 0.61548322 0.60533840 0.41472308 1\n C C2 1 0.34078538 1.00375477 0.48959637 1\n C C3 1 0.32419006 0.44923822 0.28341773 1\n C C4 1 0.65390427 0.51992703 0.91864417 1\n C C5 1 0.36382582 0.36244212 0.78777288 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42996000\n_cell_length_b 3.91408000\n_cell_length_c 5.76307000\n_cell_angle_alpha 53.80925000\n_cell_angle_beta 79.03275000\n_cell_angle_gamma 90.80940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.87234546\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59467520 0.81398818 0.62561511 1\n C C1 1 0.14912224 0.03676117 0.51628928 1\n C C2 1 0.48278709 0.36974250 0.84882250 1\n C C3 1 0.92835534 0.14698530 0.95828225 1\n C C4 1 0.81617017 0.70313916 0.18236135 1\n C C5 1 0.26155946 0.48065660 0.29228860 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48829000\n_cell_length_b 4.30430000\n_cell_length_c 4.30588000\n_cell_angle_alpha 80.38006000\n_cell_angle_beta 106.79121000\n_cell_angle_gamma 90.01210000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47386452\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82655743 0.60767720 0.48520260 1\n C C1 1 0.51475852 0.04536545 0.86028995 1\n C C2 1 0.76475852 0.29536545 0.36028995 1\n C C3 1 0.07655743 0.85767720 0.98520260 1\n C C4 1 0.26475852 0.79536545 0.36028995 1\n C C5 1 0.57655743 0.35767720 0.98520260 1\n C C6 1 1.01475852 0.54536545 0.86028995 1\n C C7 1 0.32655743 0.10767720 0.48520260 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52747000\n_cell_length_b 4.29558000\n_cell_length_c 4.70974000\n_cell_angle_alpha 68.43834000\n_cell_angle_beta 78.24262000\n_cell_angle_gamma 85.05997000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.55394220\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69611196 0.79036823 0.68803223 1\n C C1 1 0.44337126 0.33635118 0.34004310 1\n C C2 1 0.35375514 0.25514300 0.88845280 1\n C C3 1 0.50137645 0.14368692 0.66154535 1\n C C4 1 0.41032323 0.06278034 0.21026761 1\n C C5 1 0.97676851 0.55191615 0.22036817 1\n C C6 1 0.15930453 0.60833742 0.86110214 1\n C C7 1 0.87700483 0.84739587 0.32925540 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04785000\n_cell_length_b 4.29123000\n_cell_length_c 11.07778000\n_cell_angle_alpha 75.90879000\n_cell_angle_beta 111.96024000\n_cell_angle_gamma 102.88465000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 128.92110909\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49957751 0.86804168 0.18908639 1\n C C1 1 0.97468057 0.56244476 0.75362876 1\n C C2 1 0.31682547 0.32764739 0.55174705 1\n C C3 1 0.56993253 0.55948390 0.05041346 1\n C C4 1 -0.33108588 0.54378562 0.62446570 1\n C C5 1 0.27889153 -0.11917740 0.74684989 1\n C C6 1 0.26166891 0.31185401 0.99162989 1\n C C7 1 0.82812840 0.34701217 0.30653349 1\n C C8 1 0.78221314 0.83114017 0.98469503 1\n C C9 1 0.61714636 0.00909807 0.30495421 1\n C C10 1 0.18230803 1.01183481 0.06496648 1\n C C11 1 0.76211387 0.82305910 0.53998124 1\n C C12 1 0.50735267 0.79193205 0.40944369 1\n C C13 1 0.13393108 0.03250999 0.61139179 1\n C C14 1 0.18908273 0.47268008 0.41451367 1\n C C15 1 0.65098560 1.00076121 0.85257563 1\n C C16 1 0.96874311 0.30916171 0.85724363 1\n C C17 1 0.64840426 0.58286328 0.18784199 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46203000\n_cell_length_b 5.61665000\n_cell_length_c 4.61915000\n_cell_angle_alpha 92.62052000\n_cell_angle_beta 99.58375000\n_cell_angle_gamma 61.39750000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.25475512\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18761603 0.72079796 0.94436789 1\n C C1 1 0.35552176 0.94505836 0.34681667 1\n C C2 1 0.61898099 0.25893306 0.70033260 1\n C C3 1 0.58838523 0.50377292 1.18649182 1\n C C4 1 0.59836900 0.65560697 0.47170060 1\n C C5 1 0.50141790 0.89154979 1.00466123 1\n C C6 1 0.26858837 0.33264191 0.16253161 1\n C C7 1 0.66836892 0.11632587 0.40490683 1\n C C8 1 1.23751691 0.57733143 0.64906519 1\n C C9 1 0.25936107 0.17988042 0.87860346 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46117000\n_cell_length_b 3.35610000\n_cell_length_c 4.48598000\n_cell_angle_alpha 68.03825000\n_cell_angle_beta 84.62373000\n_cell_angle_gamma 75.51835000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.27317594\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46334861 -0.10352022 0.10103829 1\n C C1 1 0.75596622 1.03682949 0.54531048 1\n C C2 1 0.96359422 0.55731841 0.77840220 1\n C C3 1 0.54497598 0.28409721 0.77827819 1\n C C4 1 0.25582541 0.14252489 0.33465919 1\n C C5 1 0.04475326 0.62295963 0.10114905 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46315000\n_cell_length_b 4.24915000\n_cell_length_c 4.24952000\n_cell_angle_alpha 79.56215000\n_cell_angle_beta 90.01055000\n_cell_angle_gamma 89.97290000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.74071772\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15404565 0.89652202 0.13804998 1\n C C1 1 0.03563944 0.77438579 0.48961577 1\n C C2 1 0.27716372 0.24850071 0.01595379 1\n C C3 1 0.53569334 0.88283443 0.64918807 1\n C C4 1 0.65417513 0.76032363 1.00149570 1\n C C5 1 0.77695661 0.40784911 0.12398960 1\n C C6 1 0.40372059 0.24651052 0.65167880 1\n C C7 1 0.90344132 0.41009090 0.48766000 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45300000\n_cell_length_b 6.91412000\n_cell_length_c 7.74079000\n_cell_angle_alpha 38.80987000\n_cell_angle_beta 80.77163000\n_cell_angle_gamma 79.74756000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.91835856\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53687395 0.47553345 0.89241240 1\n C C1 1 0.33794758 1.01679146 0.74885274 1\n C C2 1 0.33907087 0.51852500 0.24492960 1\n C C3 1 0.96461335 0.07313560 0.43265201 1\n C C4 1 0.70573628 -0.03301786 1.06435820 1\n C C5 1 0.90480119 0.41679954 0.21225670 1\n C C6 1 -0.02604379 0.56412672 -0.07273796 1\n C C7 1 0.06895830 -0.09191999 0.38401183 1\n C C8 1 0.63197710 0.81956008 0.34937190 1\n C C9 1 0.90418379 0.91714286 0.71385566 1\n C C10 1 0.27392100 0.86516873 0.03170534 1\n C C11 1 0.27459128 0.36675084 0.52778071 1\n C C12 1 0.70596542 0.46651040 0.56272435 1\n C C13 1 0.64224038 0.31048697 0.84377021 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48938000\n_cell_length_b 4.82497000\n_cell_length_c 4.90353000\n_cell_angle_alpha 103.79330000\n_cell_angle_beta 112.00004000\n_cell_angle_gamma 90.67340000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.86798028\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05953282 0.11578800 0.60032677 1\n C C1 1 0.70439414 0.82426927 0.95253629 1\n C C2 1 0.18646362 0.85961665 0.47329626 1\n C C3 1 0.50227677 0.71374425 0.63947644 1\n C C4 1 0.26360670 0.22849317 0.91361813 1\n C C5 1 0.74699012 0.23009621 0.39495792 1\n C C6 1 0.57905119 0.08155154 0.07955209 1\n C C7 1 0.02112754 0.71272257 0.15745901 1\n C C8 1 0.23767120 0.47322281 0.12904344 1\n C C9 1 0.53399031 0.47179034 0.42413676 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43081000\n_cell_length_b 4.22627000\n_cell_length_c 6.13023000\n_cell_angle_alpha 68.13892000\n_cell_angle_beta 80.29832000\n_cell_angle_gamma 83.06182000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.49668938\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86978016 0.11782120 0.48290217 1\n C C1 1 0.36969160 0.61784173 0.73282232 1\n C C2 1 -0.13025428 0.11787931 0.98302548 1\n C C3 1 0.37034119 0.28533494 0.39920321 1\n C C4 1 0.36995483 0.61758658 0.23250126 1\n C C5 1 0.87029360 0.78550239 1.14944162 1\n C C6 1 0.87008282 0.78561935 0.64964036 1\n C C7 1 0.37019607 0.28550650 0.89948768 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48402000\n_cell_length_b 3.99886000\n_cell_length_c 7.70173000\n_cell_angle_alpha 107.95231000\n_cell_angle_beta 89.93750000\n_cell_angle_gamma 71.90779000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.78261057\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37899723 0.54855006 0.73109423 1\n C C1 1 0.70144590 0.90877317 0.58152482 1\n C C2 1 0.20667279 0.89588404 0.68956544 1\n C C3 1 0.63500989 1.03298836 -0.03762606 1\n C C4 1 1.02287621 0.26840611 0.43739776 1\n C C5 1 0.06476780 0.17295771 0.88605387 1\n C C6 1 0.85009718 0.61582532 0.39604424 1\n C C7 1 -0.12878342 0.56230018 0.84719566 1\n C C8 1 0.52845603 0.25614567 0.54563084 1\n C C9 1 0.35729392 0.60206337 0.28002180 1\n C C10 1 0.59083611 0.12927002 0.16432925 1\n C C11 1 0.16012766 -0.00936350 0.24092415 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48100000\n_cell_length_b 3.68983000\n_cell_length_c 4.84100000\n_cell_angle_alpha 111.51046000\n_cell_angle_beta 104.80461000\n_cell_angle_gamma 109.68221000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99936134\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84999191 0.31101490 0.95432214 1\n C C1 1 0.82593219 -0.03260853 0.25202926 1\n C C2 1 0.12397528 0.78442273 1.02994036 1\n C C3 1 0.10101814 0.44040505 0.32736352 1\n C C4 1 0.14014759 0.02305483 -0.17668789 1\n C C5 1 0.80962579 0.72815391 0.45838941 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42609000\n_cell_length_b 4.22062000\n_cell_length_c 4.22128000\n_cell_angle_alpha 90.81982000\n_cell_angle_beta 89.97391000\n_cell_angle_gamma 89.99426000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.21980607\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00635719 0.32419000 0.35743408 1\n C C1 1 -0.00401765 0.67286039 0.41888868 1\n C C2 1 0.99793385 0.73259080 0.76739106 1\n C C3 1 0.49787153 0.75939004 -0.07640616 1\n C C4 1 0.49605170 0.81955941 0.27166101 1\n C C5 1 0.49340947 0.16824915 0.33084223 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.76153000\n_cell_length_b 3.63863000\n_cell_length_c 4.81486000\n_cell_angle_alpha 112.33487000\n_cell_angle_beta 96.69814000\n_cell_angle_gamma 93.61819000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.14061493\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07364408 0.13901004 0.60222763 1\n C C1 1 0.92350905 0.48381935 0.29396943 1\n C C2 1 0.92393542 0.86567509 0.29419141 1\n C C3 1 0.92678229 0.52086577 0.60244960 1\n C C4 1 -0.07360956 0.92547059 0.79358355 1\n C C5 1 0.92390090 0.07921454 0.10283548 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28268000\n_cell_length_b 3.28622000\n_cell_length_c 6.56475000\n_cell_angle_alpha 81.83105000\n_cell_angle_beta 98.14876000\n_cell_angle_gamma 98.33474000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.82635117\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01611509 -0.03953896 0.69280507 1\n C C1 1 0.86853490 0.10543095 0.02548751 1\n C C2 1 0.62895019 0.34591293 0.14541617 1\n C C3 1 0.17968643 0.79215840 0.35965093 1\n C C4 1 0.26708994 -0.01658515 0.14557151 1\n C C5 1 0.48036383 0.49258546 0.47987395 1\n C C6 1 0.95491834 0.29812021 0.81235424 1\n C C7 1 0.50736050 0.74406524 1.02551051 1\n C C8 1 1.11850710 1.13131201 0.47969699 1\n C C9 1 0.65367937 0.59779079 0.69278379 1\n C C10 1 0.81918381 0.43119050 0.35966572 1\n C C11 1 0.31537232 0.65929502 0.81227632 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30292000\n_cell_length_b 4.79654000\n_cell_length_c 7.28216000\n_cell_angle_alpha 90.03612000\n_cell_angle_beta 74.28858000\n_cell_angle_gamma 69.60356000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 103.51627299\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73802989 0.60792084 0.60701624 1\n C C1 1 0.19649826 0.49954952 0.90843995 1\n C C2 1 -0.14011814 0.83902100 0.69977666 1\n C C3 1 1.07165446 0.26291562 0.82602664 1\n C C4 1 0.56884285 0.15542126 0.11381305 1\n C C5 1 0.37993146 -0.04120017 0.85638028 1\n C C6 1 0.71360805 0.61266493 1.07518761 1\n C C7 1 -0.03230407 0.29680005 0.63752675 1\n C C8 1 0.71839571 0.51742371 0.27097703 1\n C C9 1 0.73683994 -0.29785324 0.41061548 1\n C C10 1 0.69227108 0.21688079 0.27471696 1\n C C11 1 0.48094359 0.92471085 1.04606754 1\n C C12 1 0.25519223 0.72201128 0.77392699 1\n C C13 1 0.58896977 0.38254603 0.98433660 1\n C C14 1 0.76695264 1.00202107 0.40687764 1\n C C15 1 -0.11578082 1.06422665 0.56943468 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48414000\n_cell_length_b 6.39818000\n_cell_length_c 6.88901000\n_cell_angle_alpha 98.41194000\n_cell_angle_beta 111.13777000\n_cell_angle_gamma 78.79717000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 99.83230980\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91428163 0.74415473 0.20537644 1\n C C1 1 0.35069421 0.61519839 0.57562569 1\n C C2 1 0.20020599 0.07178044 0.15649769 1\n C C3 1 1.04140894 0.81562867 0.86773795 1\n C C4 1 1.27249087 0.83919955 0.11050329 1\n C C5 1 0.73016003 0.48586891 0.89279159 1\n C C6 1 0.39227468 0.15072489 0.38856636 1\n C C7 1 0.33164335 0.14768515 0.82494840 1\n C C8 1 0.18040014 0.38276045 -0.20972856 1\n C C9 1 0.53682258 0.69508604 0.80275321 1\n C C10 1 0.82318164 0.02071918 0.75323530 1\n C C11 1 -0.04021990 0.50442603 0.13299370 1\n C C12 1 0.61875385 0.95176181 0.51360174 1\n C C13 1 0.83439540 0.29497835 0.40233511 1\n C C14 1 0.57463990 0.38469454 0.18823137 1\n C C15 1 -0.08309658 0.47115854 0.57037723 1\n C C16 1 0.12443735 0.81155534 0.44871774 1\n C C17 1 0.56240362 0.16627896 0.06660575 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47427000\n_cell_length_b 4.80424000\n_cell_length_c 4.80453000\n_cell_angle_alpha 118.04414000\n_cell_angle_beta 104.92836000\n_cell_angle_gamma 104.92863000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.63792877\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32254881 0.81577887 0.18035338 1\n C C1 1 0.32271821 0.31580414 0.68037951 1\n C C2 1 0.32279212 0.12887308 0.86748066 1\n C C3 1 -0.01027261 0.73259330 0.59713959 1\n C C4 1 0.98928476 0.04546162 0.28408377 1\n C C5 1 0.32283008 0.62885445 0.36745698 1\n C C6 1 0.98962326 0.23256334 0.09715516 1\n C C7 1 0.98946568 0.54548830 0.78408066 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47537000\n_cell_length_b 4.24735000\n_cell_length_c 3.72261000\n_cell_angle_alpha 64.04108000\n_cell_angle_beta 90.02213000\n_cell_angle_gamma 90.00402000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18986474\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15202116 0.66072118 0.27645450 1\n C C1 1 0.65192006 0.16167410 0.82195470 1\n C C2 1 0.65166908 0.88374416 0.66532940 1\n C C3 1 0.65202192 -0.11616548 0.25672758 1\n C C4 1 0.15186333 0.66092917 0.86795014 1\n C C5 1 0.15195225 0.38306997 0.71092287 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52065000\n_cell_length_b 4.64403000\n_cell_length_c 6.04921000\n_cell_angle_alpha 77.49620000\n_cell_angle_beta 57.59462000\n_cell_angle_gamma 75.57703000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.60144918\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40242703 -0.11269193 0.33561698 1\n C C1 1 0.38298454 0.31175423 0.53514234 1\n C C2 1 0.62039967 1.11164690 0.08694981 1\n C C3 1 0.60070597 0.53625880 0.28657223 1\n C C4 1 0.33411571 0.45196199 1.13596003 1\n C C5 1 0.36438588 0.08628319 0.91765602 1\n C C6 1 0.49027900 0.57474583 0.86045031 1\n C C7 1 0.51372858 0.84922132 0.76147106 1\n C C8 1 0.66903714 0.97175390 0.48623211 1\n C C9 1 0.63880178 0.33807576 0.70438423 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48422000\n_cell_length_b 5.22327000\n_cell_length_c 3.82333000\n_cell_angle_alpha 98.58617000\n_cell_angle_beta 71.00574000\n_cell_angle_gamma 89.94906000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.31860114\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77621132 0.90361902 0.18972930 1\n C C1 1 0.73800765 0.62408141 0.26621712 1\n C C2 1 0.01459359 0.12714947 0.71164061 1\n C C3 1 0.22791262 0.06838560 0.28354482 1\n C C4 1 0.35050372 0.51863139 0.04310709 1\n C C5 1 0.52471987 0.68260568 0.69346100 1\n C C6 1 0.40242976 0.23193527 0.93403567 1\n C C7 1 0.97666407 0.84761776 0.78683908 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43118000\n_cell_length_b 6.22018000\n_cell_length_c 8.62035000\n_cell_angle_alpha 70.16904000\n_cell_angle_beta 95.91509000\n_cell_angle_gamma 75.48974000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 116.15930882\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.14063075 0.96327111 0.98099671 1\n C C1 1 0.77594766 0.54714744 0.39725345 1\n C C2 1 0.20551777 0.70574171 0.73985545 1\n C C3 1 0.37200219 0.53883159 0.90596317 1\n C C4 1 0.70593081 0.20439653 0.23925251 1\n C C5 1 -0.04379269 0.45407910 0.98931228 1\n C C6 1 0.52573073 0.29712124 0.64746801 1\n C C7 1 0.60969069 0.71319504 0.23080254 1\n C C8 1 0.10902715 0.21375686 0.73090007 1\n C C9 1 0.45606778 0.95452368 0.48964223 1\n C C10 1 0.27542818 1.04751512 0.89758697 1\n C C11 1 0.02632935 0.79666332 0.14728810 1\n C C12 1 0.35990503 0.46290872 0.48065449 1\n C C13 1 1.12278387 0.28746176 0.15577775 1\n C C14 1 0.87204671 0.03894477 0.40630022 1\n C C15 1 0.62238152 0.78884322 0.65633176 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44047000\n_cell_length_b 4.20101000\n_cell_length_c 7.55283000\n_cell_angle_alpha 90.46798000\n_cell_angle_beta 108.88541000\n_cell_angle_gamma 89.94634000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.26387313\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33497499 0.30390499 0.23086865 1\n C C1 1 0.00143778 0.92947232 0.89542735 1\n C C2 1 0.47449017 0.06872316 0.36959442 1\n C C3 1 0.03515165 -0.06210560 0.42964952 1\n C C4 1 0.75081602 0.38644966 0.14647703 1\n C C5 1 0.17834149 0.70607397 0.57008227 1\n C C6 1 0.96658974 0.58313416 0.86190131 1\n C C7 1 0.76280664 0.62619794 0.65484885 1\n C C8 1 0.54335122 0.43278188 0.93888651 1\n C C9 1 0.51031360 1.08685782 0.90479419 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.59340000\n_cell_length_b 4.35087000\n_cell_length_c 2.49043000\n_cell_angle_alpha 73.38241000\n_cell_angle_beta 69.69724000\n_cell_angle_gamma 84.30417000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99223091\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06044024 0.17049297 0.04407837 1\n C C1 1 0.43049412 0.75247263 0.56854485 1\n C C2 1 0.69004064 0.75232253 -0.06061546 1\n C C3 1 0.06073237 -0.04185254 0.64952915 1\n C C4 1 0.68993512 0.37613589 1.12746209 1\n C C5 1 0.43004391 0.37623342 -0.24221391 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30998000\n_cell_length_b 3.32815000\n_cell_length_c 6.35923000\n_cell_angle_alpha 87.31286000\n_cell_angle_beta 112.00998000\n_cell_angle_gamma 78.92948000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.19369325\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10371574 0.62146497 0.74712855 1\n C C1 1 0.72717186 0.29288213 0.38522708 1\n C C2 1 0.76341588 1.06785455 0.95402895 1\n C C3 1 0.46379003 0.16664327 0.52208151 1\n C C4 1 0.43156601 0.39713189 0.95350528 1\n C C5 1 0.41172427 0.51629278 0.15982360 1\n C C6 1 0.09144938 0.92892960 0.38591330 1\n C C7 1 0.08906054 0.84099453 0.16032778 1\n C C8 1 0.78101422 0.94613541 0.74768599 1\n C C9 1 1.09968809 0.52943757 0.52150846 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45024000\n_cell_length_b 6.37500000\n_cell_length_c 9.32349000\n_cell_angle_alpha 69.67480000\n_cell_angle_beta 100.68991000\n_cell_angle_gamma 99.73101000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 133.33035766\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66857766 0.24794827 0.36294625 1\n C C1 1 0.40204780 0.49375477 0.65121210 1\n C C2 1 0.30714118 0.57825221 0.34043046 1\n C C3 1 0.59968006 0.46986765 0.11781052 1\n C C4 1 0.94236452 0.51472289 0.72038284 1\n C C5 1 0.97256563 0.92356113 0.32441275 1\n C C6 1 0.42512718 0.97515838 0.72392895 1\n C C7 1 0.72469592 0.50452801 0.27480293 1\n C C8 1 0.88819264 1.05579696 0.65433975 1\n C C9 1 0.58640028 -0.14612590 0.89743795 1\n C C10 1 0.42465496 0.81670307 0.32814233 1\n C C11 1 0.17280001 -0.05699911 -0.05292585 1\n C C12 1 0.08602110 0.16505327 0.30434178 1\n C C13 1 0.04095387 0.32112592 0.13569016 1\n C C14 1 -0.19491335 0.26352090 0.52060883 1\n C C15 1 0.31987994 1.13459026 -0.02158058 1\n C C16 1 0.34694927 0.41093607 0.51658016 1\n C C17 1 -0.02380919 0.50989600 0.88321247 1\n C C18 1 0.54386006 0.60191543 0.94151771 1\n C C19 1 0.89345415 0.25296141 -0.00677553 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48521000\n_cell_length_b 4.08677000\n_cell_length_c 5.84449000\n_cell_angle_alpha 52.69930000\n_cell_angle_beta 102.27442000\n_cell_angle_gamma 89.98484000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.49822923\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45257590 0.46174553 0.70755040 1\n C C1 1 0.90877970 0.71776150 0.62126053 1\n C C2 1 0.12406943 0.82410140 0.05048655 1\n C C3 1 0.23603067 0.35482917 0.27775190 1\n C C4 1 0.62328935 0.05195643 0.04854153 1\n C C5 1 0.73726132 1.12643419 0.28014191 1\n C C6 1 0.39312483 0.22171888 0.59193398 1\n C C7 1 0.96560240 -0.04121609 0.73616201 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45264000\n_cell_length_b 4.71771000\n_cell_length_c 6.98717000\n_cell_angle_alpha 71.94434000\n_cell_angle_beta 100.14002000\n_cell_angle_gamma 74.94707000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.27191083\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69549405 0.79760959 0.75777178 1\n C C1 1 0.39179328 0.74177930 0.10023167 1\n C C2 1 0.86732780 0.68319722 -0.00799741 1\n C C3 1 0.32948332 0.41070696 0.64089498 1\n C C4 1 0.87255584 0.98519826 0.30062075 1\n C C5 1 0.02888176 0.35510859 0.98388896 1\n C C6 1 0.45502564 1.10690911 0.58672196 1\n C C7 1 0.85471600 0.47008920 0.74912084 1\n C C8 1 0.61747008 0.52330867 0.32832654 1\n C C9 1 0.10708744 0.62894405 0.41246382 1\n C C10 1 -0.14781397 0.16688959 0.44038583 1\n C C11 1 0.26963157 1.04544226 0.15463188 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45545000\n_cell_length_b 4.51438000\n_cell_length_c 8.46071000\n_cell_angle_alpha 55.48969000\n_cell_angle_beta 73.83385000\n_cell_angle_gamma 74.92170000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.60188112\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28807223 0.84996879 0.29019915 1\n C C1 1 0.29313281 0.18150032 0.12283764 1\n C C2 1 0.40649805 0.09439991 0.54095288 1\n C C3 1 0.63847136 0.91399840 0.90079858 1\n C C4 1 0.86039410 0.27818660 1.00491675 1\n C C5 1 0.05563457 1.02174671 -0.06778661 1\n C C6 1 0.84187878 0.66052719 0.82564179 1\n C C7 1 0.88187164 0.28701066 0.47072818 1\n C C8 1 0.81112320 0.65757668 0.36111759 1\n C C9 1 0.40612627 0.76119585 0.70755136 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44254000\n_cell_length_b 4.85258000\n_cell_length_c 6.55226000\n_cell_angle_alpha 67.60810000\n_cell_angle_beta 79.30373000\n_cell_angle_gamma 59.75594000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.03021299\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61294144 0.49390723 0.79712940 1\n C C1 1 0.61461422 1.01728237 0.74744191 1\n C C2 1 0.35463333 0.97127567 0.35741483 1\n C C3 1 0.20848557 0.22052375 0.14680310 1\n C C4 1 -0.08629169 0.85852189 0.46333513 1\n C C5 1 0.64991164 0.33265555 0.04087497 1\n C C6 1 -0.04165677 0.69353493 0.70663593 1\n C C7 1 0.95704255 0.16799501 0.75949731 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47482000\n_cell_length_b 3.69433000\n_cell_length_c 6.11615000\n_cell_angle_alpha 78.06323000\n_cell_angle_beta 78.34539000\n_cell_angle_gamma 89.99339000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.53096326\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31064177 0.76864743 1.03606069 1\n C C1 1 0.65040412 0.92754393 0.35636712 1\n C C2 1 0.08008359 0.78711285 0.49806291 1\n C C3 1 0.42043579 -0.05332393 0.81894953 1\n C C4 1 0.07931472 0.37841810 0.50009263 1\n C C5 1 0.98713284 0.02000342 0.68476630 1\n C C6 1 0.74369536 0.69551364 0.17023034 1\n C C7 1 0.65177761 0.33573336 0.35405468 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46578000\n_cell_length_b 3.67665000\n_cell_length_c 10.61843000\n_cell_angle_alpha 100.59871000\n_cell_angle_beta 83.37983000\n_cell_angle_gamma 70.41687000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.50679632\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78804459 0.36423561 0.31545704 1\n C C1 1 0.97391244 0.13770754 0.16760828 1\n C C2 1 0.16073417 0.73702755 0.19714283 1\n C C3 1 0.24107177 0.25390614 0.51176773 1\n C C4 1 0.34370687 0.20061835 0.36709552 1\n C C5 1 0.79639170 1.09111199 0.56378059 1\n C C6 1 1.51950550 0.24108657 0.97196527 1\n C C7 1 0.60364654 0.76443896 0.28530711 1\n C C8 1 0.98122325 0.69112337 0.59392449 1\n C C9 1 0.06259540 0.21684064 0.90758178 1\n C C10 1 0.42007769 0.29851389 0.11515863 1\n C C11 1 0.61035266 0.31846827 0.71170846 1\n C C12 1 0.42419778 0.71912141 0.68177343 1\n C C13 1 0.16346954 0.15835452 0.76445813 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50810000\n_cell_length_b 3.94678000\n_cell_length_c 4.77663000\n_cell_angle_alpha 86.83361000\n_cell_angle_beta 98.29670000\n_cell_angle_gamma 100.13246000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.03724796\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26429809 0.75147992 0.15550433 1\n C C1 1 0.44642967 0.93616315 0.43972138 1\n C C2 1 0.69818527 0.26421332 0.91297135 1\n C C3 1 0.15229443 0.02278703 0.90835130 1\n C C4 1 0.78373503 0.46721305 0.65368104 1\n C C5 1 0.63191375 0.30646849 0.40969170 1\n C C6 1 0.71797626 0.51093404 0.15059276 1\n C C7 1 0.97016791 0.83602042 0.62512964 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48572000\n_cell_length_b 4.05633000\n_cell_length_c 8.13696000\n_cell_angle_alpha 104.42818000\n_cell_angle_beta 81.22603000\n_cell_angle_gamma 90.01180000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.46546135\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63447465 0.80757542 0.65841164 1\n C C1 1 -0.08272333 0.72842445 0.09602397 1\n C C2 1 0.13383211 0.04226568 0.66016810 1\n C C3 1 0.54530819 0.77564592 0.84168319 1\n C C4 1 0.20951581 0.23306106 0.51157059 1\n C C5 1 -0.12610207 0.44510732 0.18149042 1\n C C6 1 0.37848964 0.91963631 0.17354039 1\n C C7 1 0.01793979 0.62951844 0.89796140 1\n C C8 1 1.04138864 0.25790297 0.84925137 1\n C C9 1 -0.21564711 0.66094340 0.36501519 1\n C C10 1 0.70932296 0.46996886 0.51181891 1\n C C11 1 0.50256217 0.14387976 0.92685309 1\n C C12 1 0.40147906 0.24257142 0.12480535 1\n C C13 1 1.28564807 0.89376520 0.36289559 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42667000\n_cell_length_b 4.22604000\n_cell_length_c 4.22656000\n_cell_angle_alpha 88.02319000\n_cell_angle_beta 90.00170000\n_cell_angle_gamma 90.00565000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.31844141\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82350814 0.63739589 0.33578823 1\n C C1 1 0.82305437 0.69705373 -0.01361814 1\n C C2 1 0.32399863 0.13175353 0.42107053 1\n C C3 1 0.32348766 0.78227679 0.48087289 1\n C C4 1 0.32307909 0.72188597 0.82981927 1\n C C5 1 0.82398921 0.28818560 0.39670441 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46662000\n_cell_length_b 3.38306000\n_cell_length_c 5.25080000\n_cell_angle_alpha 89.17094000\n_cell_angle_beta 89.96924000\n_cell_angle_gamma 111.30547000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.81684163\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15214045 0.43039095 0.76308619 1\n C C1 1 0.59968621 0.31674364 0.16369469 1\n C C2 1 0.78571837 0.68900749 0.36306500 1\n C C3 1 0.63129262 0.38768659 0.88857295 1\n C C4 1 1.19520640 0.50816552 0.48874881 1\n C C5 1 0.00996834 0.13678981 0.28834717 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.81640000\n_cell_length_b 4.13306000\n_cell_length_c 4.82323000\n_cell_angle_alpha 113.81572000\n_cell_angle_beta 83.94108000\n_cell_angle_gamma 120.45061000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.92772639\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02309653 0.04314178 0.36576820 1\n C C1 1 0.35783009 0.42456274 0.36596400 1\n C C2 1 1.00994240 0.08041462 0.67582819 1\n C C3 1 0.57053000 0.63884677 0.17596323 1\n C C4 1 0.62950329 0.69897779 0.67586852 1\n C C5 1 0.41612905 0.48452011 0.86573676 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43177000\n_cell_length_b 4.14252000\n_cell_length_c 6.09794000\n_cell_angle_alpha 110.48385000\n_cell_angle_beta 89.77716000\n_cell_angle_gamma 90.16435000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.54396528\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43652741 0.09054381 0.80332961 1\n C C1 1 0.93667233 -0.07690218 0.71948983 1\n C C2 1 0.43656129 0.09109087 0.30258549 1\n C C3 1 0.43654106 0.42243322 -0.02936536 1\n C C4 1 0.93668834 0.92312805 0.21933533 1\n C C5 1 0.93665955 0.59060974 0.05290949 1\n C C6 1 -0.06329267 0.59132135 0.55212215 1\n C C7 1 0.43659518 0.42334753 0.46947145 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47347000\n_cell_length_b 4.47046000\n_cell_length_c 4.24744000\n_cell_angle_alpha 68.61904000\n_cell_angle_beta 90.00081000\n_cell_angle_gamma 56.38513000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.16527311\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03406978 0.79625526 0.75407468 1\n C C1 1 0.14524663 0.18527797 0.97673611 1\n C C2 1 0.59941131 0.23108328 0.47615306 1\n C C3 1 -0.01175325 0.34214933 0.25472221 1\n C C4 1 0.55358828 0.77697735 -0.02319941 1\n C C5 1 0.44241143 0.38795463 0.75413916 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48979000\n_cell_length_b 5.82637000\n_cell_length_c 8.86026000\n_cell_angle_alpha 129.27312000\n_cell_angle_beta 114.95267000\n_cell_angle_gamma 77.55843000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 89.96858906\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65524705 0.69161555 0.26094164 1\n C C1 1 0.89841867 0.54649349 0.37532942 1\n C C2 1 0.02907918 0.06158930 0.63115651 1\n C C3 1 0.41150503 0.34943255 0.31746358 1\n C C4 1 0.11945571 0.80218399 0.60634037 1\n C C5 1 0.88788109 0.53023332 0.69495434 1\n C C6 1 0.76448069 1.01540696 0.44008755 1\n C C7 1 0.19629608 0.09339234 0.08671645 1\n C C8 1 0.13241960 0.38569710 0.80974316 1\n C C9 1 0.66975966 0.27451912 0.46430873 1\n C C10 1 0.37634890 0.72727857 0.75294750 1\n C C11 1 0.77645110 0.46852277 -0.06670128 1\n C C12 1 0.59772097 -0.01672319 0.98391619 1\n C C13 1 1.01221328 0.60926074 0.13759853 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48247000\n_cell_length_b 3.74929000\n_cell_length_c 3.84186000\n_cell_angle_alpha 90.03926000\n_cell_angle_beta 90.02491000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.75809997\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79544480 0.64518882 0.00522625 1\n C C1 1 0.29547213 0.40972775 1.00497830 1\n C C2 1 0.79542217 0.91305952 0.71086393 1\n C C3 1 0.29546153 0.40939070 0.41579995 1\n C C4 1 0.29546473 0.14160709 0.71062832 1\n C C5 1 0.79543493 0.64495382 0.41604515 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48311000\n_cell_length_b 5.20378000\n_cell_length_c 7.85424000\n_cell_angle_alpha 90.07301000\n_cell_angle_beta 98.98550000\n_cell_angle_gamma 76.13345000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 97.25288915\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14406945 0.52841866 0.62329610 1\n C C1 1 0.37969616 0.71643235 0.28031031 1\n C C2 1 0.00177990 0.26899493 0.08072584 1\n C C3 1 0.39107194 0.84952725 0.44046386 1\n C C4 1 0.29162142 0.43107822 0.81737227 1\n C C5 1 0.54601864 0.27645649 0.16919050 1\n C C6 1 0.56241572 0.40857307 0.34015184 1\n C C7 1 0.46376857 0.96125071 0.69102286 1\n C C8 1 0.31005453 0.08390011 0.51366360 1\n C C9 1 0.19637036 0.72370481 0.91453130 1\n C C10 1 0.14492071 0.35624609 0.45453975 1\n C C11 1 0.74186951 0.73103593 0.01490636 1\n C C12 1 0.80932127 0.75957657 0.18320748 1\n C C13 1 0.00517016 -0.01338170 0.79792591 1\n C C14 1 0.90286109 0.27205593 0.88208828 1\n C C15 1 0.55120326 0.69568059 0.60400516 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68789000\n_cell_length_b 2.48148000\n_cell_length_c 4.21857000\n_cell_angle_alpha 89.99379000\n_cell_angle_beta 75.06745000\n_cell_angle_gamma 70.36388000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97391060\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19793983 0.72374214 0.52697418 1\n C C1 1 1.10937195 0.27115164 0.03134145 1\n C C2 1 0.35531351 0.14504735 0.65729021 1\n C C3 1 0.26575197 0.69293074 0.16215332 1\n C C4 1 0.71178316 0.46824661 -0.04417328 1\n C C5 1 0.75196318 0.94790182 0.73367912 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48158000\n_cell_length_b 3.68806000\n_cell_length_c 4.21880000\n_cell_angle_alpha 104.99036000\n_cell_angle_beta 89.92169000\n_cell_angle_gamma 109.64286000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97115092\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48458145 0.74371499 0.31073641 1\n C C1 1 0.94354571 0.65452581 0.80621256 1\n C C2 1 0.52208997 0.81163655 0.67576558 1\n C C3 1 0.74359593 0.25713091 0.88209068 1\n C C4 1 1.06307772 0.90075375 0.18024672 1\n C C5 1 0.26407152 0.29822039 0.10423085 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52470000\n_cell_length_b 4.22758000\n_cell_length_c 4.81065000\n_cell_angle_alpha 84.51203000\n_cell_angle_beta 78.79447000\n_cell_angle_gamma 72.13114000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.90170894\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01139494 0.22480083 0.27431944 1\n C C1 1 0.53678074 0.71716931 0.02548772 1\n C C2 1 0.55546125 0.94077174 0.77015380 1\n C C3 1 -0.03858104 0.18036125 0.77415913 1\n C C4 1 -0.09869548 0.39510044 0.51910626 1\n C C5 1 0.27226395 0.86478747 0.30573008 1\n C C6 1 0.74663084 0.75728342 0.49066008 1\n C C7 1 0.82684860 0.37809723 1.02732179 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47352000\n_cell_length_b 3.28807000\n_cell_length_c 6.91826000\n_cell_angle_alpha 70.08418000\n_cell_angle_beta 100.27336000\n_cell_angle_gamma 67.85157000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.85726354\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03274637 1.24957698 0.34899825 1\n C C1 1 0.60719149 0.47114114 0.84916455 1\n C C2 1 0.60757186 0.79037613 0.16875638 1\n C C3 1 0.96795406 -0.07012557 1.02960381 1\n C C4 1 0.96779593 0.42977815 0.52960480 1\n C C5 1 0.60701522 0.97101588 0.34913818 1\n C C6 1 0.96743295 0.74969019 0.84902656 1\n C C7 1 0.60744835 0.29041929 0.66877387 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48824000\n_cell_length_b 3.51675000\n_cell_length_c 4.97508000\n_cell_angle_alpha 89.99727000\n_cell_angle_beta 90.01111000\n_cell_angle_gamma 89.99080000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.53452576\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50202536 0.21514043 0.39032872 1\n C C1 1 0.50203219 0.46579415 0.64037998 1\n C C2 1 1.00200216 -0.03416330 0.89040266 1\n C C3 1 0.50199917 0.46586343 0.14038184 1\n C C4 1 1.00197536 0.71513620 0.14035159 1\n C C5 1 1.00202041 -0.03417960 0.39036058 1\n C C6 1 0.50200667 1.21515667 0.89037290 1\n C C7 1 0.00202279 0.71517112 0.64035233 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48440000\n_cell_length_b 4.08481000\n_cell_length_c 4.68042000\n_cell_angle_alpha 96.65553000\n_cell_angle_beta 105.42127000\n_cell_angle_gamma 90.00001000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45608536\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41126583 0.55432126 1.17975176 1\n C C1 1 0.58225077 0.48527279 0.52033984 1\n C C2 1 0.12541926 0.31622050 0.60653244 1\n C C3 1 0.79630728 1.02199861 0.94957784 1\n C C4 1 0.06642811 0.96056912 0.49132144 1\n C C5 1 0.91002940 0.77990296 0.17769866 1\n C C6 1 0.29537124 0.24783855 -0.05277815 1\n C C7 1 0.63891041 0.84095452 0.63586477 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43123000\n_cell_length_b 3.15776000\n_cell_length_c 8.02968000\n_cell_angle_alpha 92.28256000\n_cell_angle_beta 108.61252000\n_cell_angle_gamma 92.70032000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.25867011\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01298976 0.46628077 0.11137501 1\n C C1 1 0.51285614 0.96591059 0.61129734 1\n C C2 1 0.26289183 0.71609645 0.86134095 1\n C C3 1 0.42861249 0.54722619 0.02750793 1\n C C4 1 0.17853520 0.29708148 0.27746993 1\n C C5 1 -0.07154109 0.04676101 0.52740593 1\n C C6 1 0.76288827 0.21606826 0.36132332 1\n C C7 1 0.67845060 0.79683824 0.77742439 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52334000\n_cell_length_b 4.20528000\n_cell_length_c 4.98653000\n_cell_angle_alpha 82.59786000\n_cell_angle_beta 71.36573000\n_cell_angle_gamma 72.96108000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.90289217\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21478640 0.24771110 0.10321867 1\n C C1 1 0.13621381 0.82492507 0.81939705 1\n C C2 1 0.31542801 0.46254625 0.84782903 1\n C C3 1 0.84996254 0.78495338 0.35469401 1\n C C4 1 0.86342096 0.00871503 0.09905904 1\n C C5 1 0.89881015 0.44525673 0.35647579 1\n C C6 1 0.68832518 0.93288636 0.63446897 1\n C C7 1 0.62126435 0.29250117 0.60341813 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31859000\n_cell_length_b 3.51776000\n_cell_length_c 3.51632000\n_cell_angle_alpha 59.99708000\n_cell_angle_beta 90.00322000\n_cell_angle_gamma 89.99871000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54889029\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04754213 0.34499117 0.68221541 1\n C C1 1 0.61784410 0.34505785 -0.01367881 1\n C C2 1 0.45248505 0.80870232 0.75461604 1\n C C3 1 0.78475352 0.11308754 0.45054200 1\n C C4 1 0.11787115 0.80847283 0.45033027 1\n C C5 1 0.28479350 0.04041760 0.98638970 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48123000\n_cell_length_b 3.68965000\n_cell_length_c 4.21851000\n_cell_angle_alpha 104.76689000\n_cell_angle_beta 89.95127000\n_cell_angle_gamma 109.64775000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01705214\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16254714 0.88529916 0.65567626 1\n C C1 1 -0.05801847 0.44015247 0.44940686 1\n C C2 1 0.62157883 0.79996222 0.15182433 1\n C C3 1 1.20039572 0.95709226 0.02107756 1\n C C4 1 0.74075266 0.04175070 0.52453089 1\n C C5 1 0.42286723 0.40234199 0.22746571 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50416000\n_cell_length_b 4.25063000\n_cell_length_c 4.80966000\n_cell_angle_alpha 116.24784000\n_cell_angle_beta 90.01143000\n_cell_angle_gamma 89.97676000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.91648309\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53626329 0.07103436 0.72470975 1\n C C1 1 0.53669085 0.70389618 0.72464005 1\n C C2 1 1.03640843 0.31196912 0.20778738 1\n C C3 1 1.03668055 0.60520856 0.52735966 1\n C C4 1 0.53639306 0.73032643 0.04451928 1\n C C5 1 0.03625066 -0.05413646 0.20776868 1\n C C6 1 0.03625180 -0.02760916 0.52751969 1\n C C7 1 0.53624716 0.36418966 0.04449630 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50945000\n_cell_length_b 5.32794000\n_cell_length_c 6.14003000\n_cell_angle_alpha 96.95555000\n_cell_angle_beta 89.68203000\n_cell_angle_gamma 98.91242000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.49806581\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85389831 0.05194360 0.73907403 1\n C C1 1 0.71246187 0.54159283 0.88734757 1\n C C2 1 0.73122726 0.60202651 0.37480704 1\n C C3 1 0.36080266 0.92418090 1.04450174 1\n C C4 1 0.37360341 -0.01402671 0.29837435 1\n C C5 1 0.80461568 0.37110248 0.49570659 1\n C C6 1 0.92665003 0.16016216 0.33154068 1\n C C7 1 0.28867707 0.76466667 0.43252050 1\n C C8 1 0.26558433 0.70068016 0.86734230 1\n C C9 1 -0.09085222 0.05983537 0.97985217 1\n C C10 1 0.30639970 0.88160943 0.67394322 1\n C C11 1 0.78201310 0.32469708 0.70158208 1\n C C12 1 1.03682151 0.29461112 0.12978669 1\n C C13 1 0.62000880 0.45594240 0.12481165 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47379000\n_cell_length_b 4.23645000\n_cell_length_c 5.46027000\n_cell_angle_alpha 90.02809000\n_cell_angle_beta 89.99173000\n_cell_angle_gamma 90.00289000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.22410062\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80032271 0.94590580 0.02125705 1\n C C1 1 0.30034925 0.10334619 0.12610418 1\n C C2 1 0.80043821 0.94661608 0.49816785 1\n C C3 1 0.30042089 0.43492509 1.02003554 1\n C C4 1 0.80024063 0.08373066 0.75973161 1\n C C5 1 0.30039523 0.10387766 0.39333856 1\n C C6 1 0.80045216 0.60696768 0.41387238 1\n C C7 1 0.30049181 0.43550338 0.49997273 1\n C C8 1 0.80041030 0.60641712 0.10633105 1\n C C9 1 0.30025200 0.30498994 -0.24008123 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39962000\n_cell_length_b 3.39807000\n_cell_length_c 4.78649000\n_cell_angle_alpha 57.38723000\n_cell_angle_beta 102.61549000\n_cell_angle_gamma 93.86437000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.36643100\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16231582 0.82642723 0.02384513 1\n C C1 1 0.80577374 0.47300400 1.02058037 1\n C C2 1 0.94219023 0.30023565 0.81039149 1\n C C3 1 0.75095007 1.07288302 0.36506058 1\n C C4 1 0.13386413 0.72624694 0.57516556 1\n C C5 1 0.39440885 0.71908271 0.36186532 1\n C C6 1 0.42278233 0.81936058 0.81052454 1\n C C7 1 0.61463185 0.24537467 0.57541121 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46612000\n_cell_length_b 3.64858000\n_cell_length_c 5.68502000\n_cell_angle_alpha 97.40861000\n_cell_angle_beta 86.10209000\n_cell_angle_gamma 121.56505000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.74658170\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32253225 0.66772193 0.58545643 1\n C C1 1 0.60909177 0.91588632 0.38639645 1\n C C2 1 0.84281904 1.07143519 0.99111747 1\n C C3 1 0.32445092 1.06456363 0.28493244 1\n C C4 1 0.32437106 0.27344583 0.88632940 1\n C C5 1 0.61099136 0.31200923 0.08581988 1\n C C6 1 0.84358571 0.78426474 0.18015442 1\n C C7 1 0.60880077 0.70535771 0.78498188 1\n C C8 1 0.09098608 0.90846134 0.68039785 1\n C C9 1 1.09028453 0.19586589 0.49120108 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43187000\n_cell_length_b 4.20511000\n_cell_length_c 6.63838000\n_cell_angle_alpha 113.78018000\n_cell_angle_beta 109.90915000\n_cell_angle_gamma 89.94274000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.67187284\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37514803 1.16757418 0.61777773 1\n C C1 1 0.44866349 0.00956036 0.11848576 1\n C C2 1 0.45030006 0.67742618 0.11982920 1\n C C3 1 0.37351146 0.49970836 0.61643428 1\n C C4 1 0.95030006 0.17742618 1.11982920 1\n C C5 1 -0.05133651 0.50956036 0.11848576 1\n C C6 1 0.87514803 0.66757418 0.61777773 1\n C C7 1 -0.12648854 0.99970836 0.61643428 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32124000\n_cell_length_b 4.36792000\n_cell_length_c 3.89441000\n_cell_angle_alpha 109.01578000\n_cell_angle_beta 83.45261000\n_cell_angle_gamma 125.39895000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.33372884\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37520057 0.79074635 0.55432388 1\n C C1 1 0.97034771 0.57863191 0.74524345 1\n C C2 1 0.75336993 0.17223303 0.55190459 1\n C C3 1 0.40380552 0.51846470 0.24185411 1\n C C4 1 0.80737560 0.73043727 0.04978176 1\n C C5 1 0.02540807 0.13712503 0.24365990 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50518000\n_cell_length_b 4.80618000\n_cell_length_c 4.24986000\n_cell_angle_alpha 63.83586000\n_cell_angle_beta 89.89168000\n_cell_angle_gamma 89.94018000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.92656507\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26630354 0.78261927 -0.15467251 1\n C C1 1 0.76560714 0.58576246 0.31077177 1\n C C2 1 0.26599267 0.10272408 0.18572989 1\n C C3 1 0.76597897 0.26627235 0.60392798 1\n C C4 1 0.26623905 0.10249888 0.55200086 1\n C C5 1 0.26548812 0.78240484 0.21243792 1\n C C6 1 0.76637724 0.58595027 0.94359266 1\n C C7 1 0.76623118 0.26601416 0.97009432 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44917000\n_cell_length_b 4.53113000\n_cell_length_c 4.60265000\n_cell_angle_alpha 93.15454000\n_cell_angle_beta 122.08982000\n_cell_angle_gamma 74.34779000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.42453590\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94720364 1.03733145 0.97995609 1\n C C1 1 0.45539740 0.16850651 0.05260186 1\n C C2 1 -0.03871710 0.73448030 0.84243452 1\n C C3 1 1.09704091 0.52933851 0.37536510 1\n C C4 1 0.44028252 0.47170780 0.18971326 1\n C C5 1 0.30406743 0.67710413 0.65648707 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44486000\n_cell_length_b 6.62841000\n_cell_length_c 6.10347000\n_cell_angle_alpha 100.89906000\n_cell_angle_beta 101.52286000\n_cell_angle_gamma 79.38445000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 94.05945238\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60144152 0.74065471 0.67968453 1\n C C1 1 0.66739507 0.23814078 0.30708365 1\n C C2 1 0.11604490 0.22383226 0.18999922 1\n C C3 1 0.36627438 0.57868205 1.04587649 1\n C C4 1 0.26251282 0.40035800 0.65787940 1\n C C5 1 0.93997847 0.09512359 0.71271840 1\n C C6 1 -0.13842186 0.66605908 0.12335307 1\n C C7 1 0.77379534 0.28236915 0.56166825 1\n C C8 1 -0.02239871 0.24462231 0.94240590 1\n C C9 1 0.47284462 0.96768456 0.65293644 1\n C C10 1 0.39129466 0.88461026 0.40798496 1\n C C11 1 -0.13134690 0.82799342 0.30337192 1\n C C12 1 1.15259952 0.63472902 0.67744794 1\n C C13 1 0.39698955 0.37163633 0.90701902 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.77503000\n_cell_length_b 4.45200000\n_cell_length_c 8.69443000\n_cell_angle_alpha 94.23496000\n_cell_angle_beta 90.99147000\n_cell_angle_gamma 90.66874000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 145.68928383\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63512787 0.93377853 0.07389346 1\n C C1 1 0.26741692 0.48897902 0.36194194 1\n C C2 1 0.54236942 0.33699449 0.60835172 1\n C C3 1 0.56858683 0.32171584 0.43449612 1\n C C4 1 -0.07283287 0.64815633 0.57825937 1\n C C5 1 0.28740247 0.37594902 0.19854160 1\n C C6 1 0.87698646 0.74417629 0.14470089 1\n C C7 1 0.27128548 0.84019648 0.39753712 1\n C C8 1 0.29803616 0.15278664 0.85547309 1\n C C9 1 -0.11810678 0.52858615 0.41391807 1\n C C10 1 0.88448749 0.50541488 -0.17446947 1\n C C11 1 0.08876000 0.50637280 0.08632360 1\n C C12 1 0.48565944 0.12235663 0.18835914 1\n C C13 1 0.57344137 0.02461102 0.34346970 1\n C C14 1 0.52521228 0.94584217 0.91629071 1\n C C15 1 0.64337163 0.72713512 0.81099432 1\n C C16 1 0.55040035 0.68666652 0.64409182 1\n C C17 1 -0.07379864 0.36246531 0.66992290 1\n C C18 1 0.24260989 -0.14446260 0.58003086 1\n C C19 1 0.24287196 0.15859867 0.67635409 1\n C C20 1 1.10175564 0.38735985 0.93234831 1\n C C21 1 0.88596964 0.81475635 0.32135142 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50213000\n_cell_length_b 5.14669000\n_cell_length_c 8.72071000\n_cell_angle_alpha 109.12765000\n_cell_angle_beta 91.46303000\n_cell_angle_gamma 89.31666000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 106.06711047\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10576567 0.91622932 0.55834384 1\n C C1 1 0.40492875 0.58882234 0.66006355 1\n C C2 1 -0.10488747 0.23355230 0.43867798 1\n C C3 1 -0.12312746 0.92465767 0.37069715 1\n C C4 1 0.92010639 0.32507313 0.29979527 1\n C C5 1 0.93872782 0.67693409 0.92195930 1\n C C6 1 0.41015834 0.56805135 0.14183515 1\n C C7 1 0.91849915 0.51238224 0.03815944 1\n C C8 1 0.40163011 0.08955036 0.62740358 1\n C C9 1 0.43221836 0.55244116 0.82544999 1\n C C10 1 0.39850238 0.29762763 0.53947811 1\n C C11 1 0.36461831 0.86147806 0.26101654 1\n C C12 1 0.93936076 0.21006598 0.91140110 1\n C C13 1 -0.10068975 0.70466060 0.62740938 1\n C C14 1 0.43173840 0.23700565 0.81137553 1\n C C15 1 0.41764486 0.37421247 0.23423578 1\n C C16 1 0.19549812 0.07773630 0.16289120 1\n C C17 1 0.99835088 0.98684043 0.99677270 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48111000\n_cell_length_b 3.68784000\n_cell_length_c 4.84161000\n_cell_angle_alpha 57.42411000\n_cell_angle_beta 104.79961000\n_cell_angle_gamma 109.63586000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00485963\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41824577 0.55888463 1.01519900 1\n C C1 1 0.21779283 0.08542923 0.09062185 1\n C C2 1 0.53980297 0.42928453 0.38836976 1\n C C3 1 -0.03867100 0.14174430 0.51914288 1\n C C4 1 0.99638137 0.84660502 -0.11586046 1\n C C5 1 0.73696286 0.90288810 0.31221057 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54307000\n_cell_length_b 3.55142000\n_cell_length_c 6.27677000\n_cell_angle_alpha 81.39198000\n_cell_angle_beta 66.28282000\n_cell_angle_gamma 44.28162000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.37836939\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67110856 0.90168427 0.97939299 1\n C C1 1 -0.14399331 0.67207701 0.52029428 1\n C C2 1 0.38542528 0.33058179 0.83620189 1\n C C3 1 0.59488378 0.59154060 0.35947906 1\n C C4 1 1.12395714 0.25010403 0.67553690 1\n C C5 1 0.30933396 0.02053290 0.21653088 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46986000\n_cell_length_b 4.32196000\n_cell_length_c 6.88128000\n_cell_angle_alpha 98.38224000\n_cell_angle_beta 81.20458000\n_cell_angle_gamma 75.23569000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.87033464\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10956546 0.59862636 0.30757756 1\n C C1 1 0.36438722 0.90648531 0.64352103 1\n C C2 1 -0.01740724 0.06033293 0.02354023 1\n C C3 1 0.21924314 0.81142903 0.83612337 1\n C C4 1 0.71833921 0.19240563 0.45882781 1\n C C5 1 1.24304357 0.25281679 0.34365474 1\n C C6 1 0.62310607 0.65490211 0.18630917 1\n C C7 1 -0.06585410 0.84648849 0.50106918 1\n C C8 1 0.32011058 0.47176487 0.86312151 1\n C C9 1 0.40223501 0.25602501 0.67253870 1\n C C10 1 0.45570459 0.00678619 0.14667590 1\n C C11 1 0.81419450 0.40968989 0.98841939 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51397000\n_cell_length_b 3.83815000\n_cell_length_c 6.27266000\n_cell_angle_alpha 73.00406000\n_cell_angle_beta 82.92001000\n_cell_angle_gamma 82.79732000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.18497109\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08943757 0.55787318 0.10347864 1\n C C1 1 0.66547839 0.17308461 0.93501605 1\n C C2 1 0.14447420 1.06345825 0.50531465 1\n C C3 1 0.70326575 0.65420984 0.31052060 1\n C C4 1 1.16666840 0.90138231 0.30323096 1\n C C5 1 -0.12428669 0.81483302 0.91220072 1\n C C6 1 0.08352116 0.71851071 0.70547294 1\n C C7 1 0.11927205 0.19909836 0.08037819 1\n C C8 1 0.64178703 0.30969766 0.51052430 1\n C C9 1 0.62009298 0.47113016 0.71251225 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.58364000\n_cell_length_b 4.93101000\n_cell_length_c 4.78834000\n_cell_angle_alpha 121.02601000\n_cell_angle_beta 96.13223000\n_cell_angle_gamma 89.96479000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.94682946\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48397422 0.73233278 0.25561177 1\n C C1 1 0.36849628 0.38580919 0.04775360 1\n C C2 1 0.26010120 0.22540160 0.72725960 1\n C C3 1 0.85837427 0.69726120 0.39901135 1\n C C4 1 0.45487499 0.89830432 0.07393022 1\n C C5 1 0.23184104 0.87730364 0.54570676 1\n C C6 1 0.48411510 0.24643853 0.25569530 1\n C C7 1 0.85810256 0.42587327 0.40014330 1\n C C8 1 0.34712506 0.73803882 0.75348780 1\n C C9 1 0.23162350 0.39161885 0.54542501 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42716000\n_cell_length_b 5.89620000\n_cell_length_c 6.39331000\n_cell_angle_alpha 53.09664000\n_cell_angle_beta 79.45128000\n_cell_angle_gamma 65.59967000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.36302473\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27987481 0.71291256 0.21977655 1\n C C1 1 0.21289888 0.47910911 0.79708869 1\n C C2 1 0.98629918 0.64882100 0.91741507 1\n C C3 1 0.40605332 0.05560733 0.28259255 1\n C C4 1 0.72051609 0.99867627 0.74266149 1\n C C5 1 0.82543821 0.38658065 0.75431345 1\n C C6 1 0.77234870 0.19405222 0.27286572 1\n C C7 1 0.66699399 0.80573578 0.26213112 1\n C C8 1 0.08636833 0.13725135 0.73309145 1\n C C9 1 0.50546858 0.54372403 0.09913280 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26114000\n_cell_length_b 3.39686000\n_cell_length_c 4.68100000\n_cell_angle_alpha 89.90098000\n_cell_angle_beta 69.33790000\n_cell_angle_gamma 89.90440000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.51891253\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35272199 0.55929896 0.10077316 1\n C C1 1 0.88869766 0.59971099 0.27891696 1\n C C2 1 1.04510595 0.88724642 0.76787768 1\n C C3 1 0.19631237 0.27051220 0.61163992 1\n C C4 1 0.85271857 0.59947463 0.60066402 1\n C C5 1 -0.30436823 0.88790036 0.11148619 1\n C C6 1 0.54565008 0.27086794 0.26807418 1\n C C7 1 0.38867271 0.55840331 0.77905429 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.15866000\n_cell_length_b 4.23591000\n_cell_length_c 3.83305000\n_cell_angle_alpha 91.08305000\n_cell_angle_beta 71.35247000\n_cell_angle_gamma 67.69021000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.42536790\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44157516 0.91773038 0.27570579 1\n C C1 1 0.93607559 0.39518760 0.30422871 1\n C C2 1 0.80775129 0.68587527 1.14307922 1\n C C3 1 0.31298312 0.20969580 0.11687428 1\n C C4 1 0.12455025 0.68026985 0.83082504 1\n C C5 1 0.12495803 -0.07730410 0.58730345 1\n C C6 1 0.80833475 0.23344666 0.59063976 1\n C C7 1 0.44076462 0.36915814 0.82790595 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48127000\n_cell_length_b 3.68893000\n_cell_length_c 4.21785000\n_cell_angle_alpha 75.23910000\n_cell_angle_beta 89.98070000\n_cell_angle_gamma 70.35817000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00593339\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07924030 0.03428436 0.14913858 1\n C C1 1 0.20157628 0.79206255 0.52190084 1\n C C2 1 0.62323376 0.94863183 0.65286645 1\n C C3 1 0.88014509 0.43211940 0.22477396 1\n C C4 1 0.65758708 0.87721313 1.01828855 1\n C C5 1 0.39903538 0.39410513 0.44667111 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26469000\n_cell_length_b 3.63245000\n_cell_length_c 3.27651000\n_cell_angle_alpha 75.42942000\n_cell_angle_beta 80.84311000\n_cell_angle_gamma 75.50953000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.21728758\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00650971 0.39283721 0.69784666 1\n C C1 1 0.20679462 0.62988627 0.90970536 1\n C C2 1 0.84497840 0.62958262 0.27158124 1\n C C3 1 0.26262258 1.01156770 0.64427725 1\n C C4 1 0.63333432 0.39259341 0.05811394 1\n C C5 1 0.57913519 0.01123140 0.32683745 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46152000\n_cell_length_b 3.35609000\n_cell_length_c 4.48837000\n_cell_angle_alpha 111.93328000\n_cell_angle_beta 84.64098000\n_cell_angle_gamma 104.46470000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.30474887\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19068530 0.31309185 0.64325810 1\n C C1 1 0.69046358 0.97430199 0.96573329 1\n C C2 1 0.60938836 0.03951499 0.64315409 1\n C C3 1 0.10918574 0.70089596 -0.03422450 1\n C C4 1 0.39615527 0.55932486 0.40944641 1\n C C5 1 0.89604715 0.45404786 0.19881910 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48015000\n_cell_length_b 5.62730000\n_cell_length_c 4.24251000\n_cell_angle_alpha 97.81884000\n_cell_angle_beta 89.99259000\n_cell_angle_gamma 102.75190000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.18606856\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12783733 0.69900613 0.58503118 1\n C C1 1 0.82218063 0.08981890 0.82497147 1\n C C2 1 0.49693295 0.43815108 0.18777463 1\n C C3 1 0.62965640 0.70180147 1.09715669 1\n C C4 1 0.36626611 0.17660553 1.01199890 1\n C C5 1 0.18190062 0.80447176 0.27378018 1\n C C6 1 -0.00372001 0.43683585 0.40849621 1\n C C7 1 0.31221975 0.07022954 0.32240513 1\n C C8 1 0.67232789 0.78743172 0.77159092 1\n C C9 1 -0.13519597 1.17360752 0.49926899 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42534000\n_cell_length_b 4.15715000\n_cell_length_c 6.16972000\n_cell_angle_alpha 109.54027000\n_cell_angle_beta 101.49358000\n_cell_angle_gamma 89.91397000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.30486944\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98418418 1.04265197 0.90310912 1\n C C1 1 0.44746644 0.49967203 0.82581911 1\n C C2 1 0.42454317 0.12770135 0.78349543 1\n C C3 1 0.65725731 0.42648895 0.24893174 1\n C C4 1 1.10982078 0.27999465 0.15146029 1\n C C5 1 0.29887802 0.88783277 0.53566629 1\n C C6 1 -0.03792459 0.67031828 -0.14192096 1\n C C7 1 0.75104089 0.74149891 0.43839597 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27535000\n_cell_length_b 3.26558000\n_cell_length_c 3.63513000\n_cell_angle_alpha 104.54158000\n_cell_angle_beta 104.61536000\n_cell_angle_gamma 80.81392000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22476035\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48419050 0.21980694 0.74960261 1\n C C1 1 0.21827423 0.27559210 0.36799796 1\n C C2 1 0.85664335 0.63727377 0.36721169 1\n C C3 1 0.07054069 0.84850994 0.13098465 1\n C C4 1 0.43088975 0.48669694 0.13146294 1\n C C5 1 0.80251467 0.90396551 0.74918585 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43131000\n_cell_length_b 4.67002000\n_cell_length_c 10.16285000\n_cell_angle_alpha 65.12662000\n_cell_angle_beta 90.40570000\n_cell_angle_gamma 120.40782000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.10805247\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13639773 0.88902738 0.84339192 1\n C C1 1 0.91207977 0.66606444 0.62135583 1\n C C2 1 0.24758293 0.50029775 0.45428494 1\n C C3 1 0.13830069 0.39055459 0.34295985 1\n C C4 1 0.57940880 0.83222331 0.78806838 1\n C C5 1 0.80641970 1.05886618 0.00914142 1\n C C6 1 -0.08172287 0.17115057 0.11987560 1\n C C7 1 0.47491265 0.22760118 0.17518465 1\n C C8 1 0.58239377 0.33466567 0.28738665 1\n C C9 1 0.80401471 0.55682045 0.50972978 1\n C C10 1 0.24857845 1.00100574 0.95406425 1\n C C11 1 0.46968697 0.72343973 0.67637233 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47803000\n_cell_length_b 4.28674000\n_cell_length_c 6.31223000\n_cell_angle_alpha 76.92423000\n_cell_angle_beta 89.99551000\n_cell_angle_gamma 89.98819000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.31417533\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79433795 0.19796974 0.53717634 1\n C C1 1 0.79433795 0.11567454 0.78427243 1\n C C2 1 0.79433795 0.89291658 0.45345287 1\n C C3 1 0.29433795 0.47765041 0.20238070 1\n C C4 1 0.29433795 0.61567454 0.78427243 1\n C C5 1 0.29433795 0.39291658 0.45345287 1\n C C6 1 0.79433795 0.33921892 0.11804733 1\n C C7 1 0.29433795 -0.07821138 0.86723104 1\n C C8 1 0.79433795 0.42178862 0.86723104 1\n C C9 1 0.29433795 0.83921892 0.11804733 1\n C C10 1 0.79433795 0.97765041 0.20238070 1\n C C11 1 0.29433795 0.69796974 0.53717634 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.87113000\n_cell_length_b 4.28791000\n_cell_length_c 6.32905000\n_cell_angle_alpha 70.75938000\n_cell_angle_beta 97.66010000\n_cell_angle_gamma 103.28994000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 96.34232574\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81013584 0.81158471 0.49306032 1\n C C1 1 0.65180983 0.17437776 0.68955400 1\n C C2 1 0.49863864 0.28007089 0.07723160 1\n C C3 1 0.72608014 0.01218691 0.08927590 1\n C C4 1 0.60514822 0.57430963 0.87535455 1\n C C5 1 0.68296303 0.38557487 0.27745741 1\n C C6 1 0.62464057 0.70610542 0.29303472 1\n C C7 1 1.12021155 0.17578349 0.16531822 1\n C C8 1 0.66168196 0.91757925 0.88186008 1\n C C9 1 0.58227414 1.07969751 0.48157543 1\n C C10 1 0.04686804 0.43897252 0.24129939 1\n C C11 1 0.18794051 0.91652909 0.40531796 1\n C C12 1 0.26104897 0.65379547 0.32831506 1\n C C13 1 0.70835988 0.51759838 0.69622447 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48354000\n_cell_length_b 3.55286000\n_cell_length_c 6.77321000\n_cell_angle_alpha 84.08410000\n_cell_angle_beta 111.51991000\n_cell_angle_gamma 110.42029000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.08321768\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01662464 0.89805184 0.54735096 1\n C C1 1 0.64350626 0.15564896 0.54621874 1\n C C2 1 0.85979996 0.54416242 0.06746557 1\n C C3 1 0.27264463 0.91006200 0.79711054 1\n C C4 1 0.05652735 0.52086158 0.27646453 1\n C C5 1 0.68499448 0.51952020 0.40520108 1\n C C6 1 0.89978492 0.16810650 0.79596009 1\n C C7 1 0.23140616 0.54617010 0.93843090 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43293000\n_cell_length_b 5.75967000\n_cell_length_c 8.49084000\n_cell_angle_alpha 77.30715000\n_cell_angle_beta 78.44917000\n_cell_angle_gamma 68.68596000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 107.18159859\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18534305 0.41498359 0.68437856 1\n C C1 1 0.34052180 0.04519349 0.46025886 1\n C C2 1 0.66722226 0.15430752 0.05576865 1\n C C3 1 0.23327114 0.58108286 0.02524691 1\n C C4 1 0.31873542 -0.15077295 0.61139499 1\n C C5 1 0.52121635 0.93164858 -0.13735661 1\n C C6 1 0.37628314 0.35812226 0.15500717 1\n C C7 1 0.79775440 0.28355064 0.70538817 1\n C C8 1 -0.03848432 0.68609613 0.59693514 1\n C C9 1 0.80616223 0.35443517 0.25879885 1\n C C10 1 0.63386600 0.55551574 0.36273818 1\n C C11 1 0.03830336 -0.00437502 0.75845485 1\n C C12 1 0.05199309 0.61785115 0.42842112 1\n C C13 1 0.83053302 0.13448599 0.39184212 1\n C C14 1 0.69100475 0.67979843 -0.03497127 1\n C C15 1 0.27122581 1.08285482 -0.00257309 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37523000\n_cell_length_b 3.79182000\n_cell_length_c 4.60108000\n_cell_angle_alpha 57.15476000\n_cell_angle_beta 66.45384000\n_cell_angle_gamma 72.94510000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.12816955\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65380244 0.79478693 0.45209804 1\n C C1 1 0.33489016 0.18815034 0.45426284 1\n C C2 1 0.22036494 0.31889304 1.10640978 1\n C C3 1 0.11174877 0.93521165 0.16478775 1\n C C4 1 0.48188561 0.61569208 0.29468549 1\n C C5 1 0.99745534 0.06590256 0.81687940 1\n C C6 1 0.85027763 0.63844732 -0.02351207 1\n C C7 1 0.67854110 0.45931829 0.81890036 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23390000\n_cell_length_b 3.28122000\n_cell_length_c 3.26539000\n_cell_angle_alpha 99.17011000\n_cell_angle_beta 123.89808000\n_cell_angle_gamma 95.28017000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25504087\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31236468 0.36436104 0.92766386 1\n C C1 1 0.31267488 1.04667144 0.61200687 1\n C C2 1 0.69434319 0.99342579 0.72544587 1\n C C3 1 0.93084573 0.41902450 0.81355164 1\n C C4 1 0.93114377 0.78052198 0.17497163 1\n C C5 1 0.69389775 0.63317144 0.36400294 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47677000\n_cell_length_b 5.07717000\n_cell_length_c 5.95179000\n_cell_angle_alpha 44.10205000\n_cell_angle_beta 51.65500000\n_cell_angle_gamma 43.15991000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.88822326\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75452923 -0.16551655 0.65709418 1\n C C1 1 0.65269992 0.53816566 0.02178835 1\n C C2 1 -0.01683338 0.77743758 0.22847315 1\n C C3 1 0.38762759 0.25048006 0.15275773 1\n C C4 1 1.01973536 0.12219232 0.52619796 1\n C C5 1 0.42400509 0.59517383 0.45050472 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48735000\n_cell_length_b 5.84072000\n_cell_length_c 7.60240000\n_cell_angle_alpha 80.78874000\n_cell_angle_beta 103.06942000\n_cell_angle_gamma 119.30209000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.66179861\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74350978 -0.07004286 0.02662652 1\n C C1 1 0.40157394 1.13795597 0.59870771 1\n C C2 1 0.26522584 0.01382692 0.91690201 1\n C C3 1 0.92428895 0.37315846 0.73406895 1\n C C4 1 0.73694273 0.47952325 1.00788434 1\n C C5 1 0.34977221 0.70402348 0.68230729 1\n C C6 1 0.75076507 0.74424526 0.36878608 1\n C C7 1 0.45730734 0.30999081 0.85143348 1\n C C8 1 0.43942484 0.63606163 0.04248854 1\n C C9 1 0.61519263 0.12928892 0.28717009 1\n C C10 1 0.36242858 0.78202815 0.48077453 1\n C C11 1 0.79650496 0.38991485 0.21301459 1\n C C12 1 0.92522842 0.99054606 0.23088972 1\n C C13 1 0.07849401 0.86828786 0.73816970 1\n C C14 1 0.47878084 0.53924855 0.24197566 1\n C C15 1 0.74654725 0.08554138 0.49036568 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43274000\n_cell_length_b 4.20674000\n_cell_length_c 6.18905000\n_cell_angle_alpha 111.01539000\n_cell_angle_beta 97.44126000\n_cell_angle_gamma 89.84210000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.56187260\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37232317 0.33543638 1.13932324 1\n C C1 1 0.28710820 0.02029413 0.64043877 1\n C C2 1 0.87274574 0.50288259 1.13986445 1\n C C3 1 0.28668396 0.35284112 0.63989267 1\n C C4 1 0.78710905 0.52029639 0.64043432 1\n C C5 1 0.78668563 0.85284791 0.63989757 1\n C C6 1 0.37274742 1.00288938 1.13986934 1\n C C7 1 0.87232232 0.83543411 0.13932769 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43222000\n_cell_length_b 3.95443000\n_cell_length_c 4.66885000\n_cell_angle_alpha 95.94802000\n_cell_angle_beta 105.59556000\n_cell_angle_gamma 90.24817000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.99479858\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22551595 0.93209664 0.05436155 1\n C C1 1 0.89175787 0.59729633 0.38653922 1\n C C2 1 0.44633289 0.48391210 0.49605698 1\n C C3 1 0.78032566 0.81926112 1.16402922 1\n C C4 1 0.55913255 0.26706625 0.72194922 1\n C C5 1 0.11388937 0.15417176 0.83189221 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47944000\n_cell_length_b 2.53724000\n_cell_length_c 6.25721000\n_cell_angle_alpha 66.77875000\n_cell_angle_beta 101.51458000\n_cell_angle_gamma 90.01639000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.31208836\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80635442 0.16173054 0.82996943 1\n C C1 1 0.72482443 0.81666982 0.66902255 1\n C C2 1 0.03678219 0.21332801 0.28832723 1\n C C3 1 1.15390466 0.95973168 0.52631745 1\n C C4 1 0.46586242 0.35638987 0.14562213 1\n C C5 1 0.38433243 0.01132916 0.98467525 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49140000\n_cell_length_b 4.35361000\n_cell_length_c 3.59409000\n_cell_angle_alpha 95.70970000\n_cell_angle_beta 110.33144000\n_cell_angle_gamma 73.37977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02765690\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73181089 0.95160869 0.74264940 1\n C C1 1 0.81373649 0.15756679 0.11268782 1\n C C2 1 1.25682048 0.53329524 0.37211838 1\n C C3 1 0.44457591 0.15714535 0.37186349 1\n C C4 1 0.62666981 0.53345240 0.11308201 1\n C C5 1 0.33877922 0.73914962 0.74305010 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.33599000\n_cell_length_b 3.83341000\n_cell_length_c 5.56696000\n_cell_angle_alpha 94.67529000\n_cell_angle_beta 124.53731000\n_cell_angle_gamma 99.64920000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.34847511\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26965741 0.66563595 -0.02866196 1\n C C1 1 -0.10859849 0.99559070 0.28256609 1\n C C2 1 0.62890178 -0.18362702 0.65002078 1\n C C3 1 0.89080780 0.64154835 0.28191888 1\n C C4 1 0.63023811 0.18801708 0.64949408 1\n C C5 1 0.24959540 0.23030821 0.46081396 1\n C C6 1 0.51113018 1.03940721 1.09351206 1\n C C7 1 0.87225963 0.56389538 0.77095848 1\n C C8 1 0.24974122 0.58396971 0.46105511 1\n C C9 1 0.51184776 0.41181134 0.09269822 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.02430000\n_cell_length_b 4.22955000\n_cell_length_c 6.41927000\n_cell_angle_alpha 109.27772000\n_cell_angle_beta 75.59862000\n_cell_angle_gamma 138.65122000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.13571084\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03416571 0.52490246 0.87190724 1\n C C1 1 0.86831075 0.84555552 0.67466032 1\n C C2 1 -0.07800786 0.21972587 0.67452501 1\n C C3 1 0.82559964 0.73929408 0.87190887 1\n C C4 1 1.14498113 0.61747625 1.07508185 1\n C C5 1 -0.13219022 0.24584541 0.47579544 1\n C C6 1 0.82422801 -0.05889610 0.27800911 1\n C C7 1 0.96384443 0.72618282 0.27802053 1\n C C8 1 0.92173220 0.62026685 0.47559275 1\n C C9 1 0.64498904 0.84858214 0.07529088 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43050000\n_cell_length_b 4.86251000\n_cell_length_c 4.86448000\n_cell_angle_alpha 75.80538000\n_cell_angle_beta 59.97760000\n_cell_angle_gamma 59.97272000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.09491328\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85627503 0.13941541 0.25787640 1\n C C1 1 0.35758928 0.70398872 0.69207834 1\n C C2 1 0.44809836 0.19937927 0.60556004 1\n C C3 1 0.94764420 1.05212003 0.75323601 1\n C C4 1 1.04027936 0.54778932 0.66438798 1\n C C5 1 0.53994198 0.11108575 0.10143483 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50853000\n_cell_length_b 3.41989000\n_cell_length_c 6.35538000\n_cell_angle_alpha 82.03855000\n_cell_angle_beta 89.97400000\n_cell_angle_gamma 68.46286000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.15137562\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.23571192 0.28640384 0.64050715 1\n C C1 1 0.26487183 0.28584130 0.14046644 1\n C C2 1 0.53222772 0.74989210 0.58018534 1\n C C3 1 0.42866078 -0.04226216 0.97659341 1\n C C4 1 0.86839190 0.07789401 0.24419849 1\n C C5 1 -0.07174935 -0.04186151 0.47662024 1\n C C6 1 0.36798501 1.07826734 0.74420022 1\n C C7 1 1.03273054 0.74936809 1.08014021 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.90397000\n_cell_length_b 3.87318000\n_cell_length_c 4.20822000\n_cell_angle_alpha 69.74312000\n_cell_angle_beta 69.88781000\n_cell_angle_gamma 77.23049000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.67891352\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67679342 0.18755101 0.28841769 1\n C C1 1 0.43036213 0.44126004 0.11970806 1\n C C2 1 0.92678678 0.93746520 0.78843951 1\n C C3 1 0.42672683 0.43740624 0.78848141 1\n C C4 1 -0.06957569 0.94132515 0.11966562 1\n C C5 1 0.17678614 0.68753405 0.28842634 1\n C C6 1 0.68039042 0.19126857 0.61969325 1\n C C7 1 0.18037656 0.69125774 0.61970101 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53137000\n_cell_length_b 2.45474000\n_cell_length_c 6.83127000\n_cell_angle_alpha 110.25031000\n_cell_angle_beta 96.72576000\n_cell_angle_gamma 92.23029000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.40662326\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79296357 0.75503330 0.10303892 1\n C C1 1 0.73106556 0.14968353 -0.00357792 1\n C C2 1 -0.01047791 0.57624712 0.43084120 1\n C C3 1 -0.07517879 0.97127175 0.32415194 1\n C C4 1 1.09470788 -0.19258545 0.66148932 1\n C C5 1 0.63114319 0.91758625 0.76561784 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32962000\n_cell_length_b 3.33538000\n_cell_length_c 6.52460000\n_cell_angle_alpha 82.51464000\n_cell_angle_beta 97.03115000\n_cell_angle_gamma 89.18759000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.26808389\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25165773 0.65834133 0.77880498 1\n C C1 1 0.48955883 0.88838960 0.11212162 1\n C C2 1 0.69190323 0.51959384 0.24744204 1\n C C3 1 1.12806910 0.74847692 0.98267359 1\n C C4 1 0.21498011 0.94995831 0.43622991 1\n C C5 1 0.27877070 0.06241630 0.65144602 1\n C C6 1 0.78842732 0.08775860 -0.02231057 1\n C C7 1 0.95458996 0.41998136 0.65268350 1\n C C8 1 0.59893359 0.31147426 0.76410617 1\n C C9 1 -0.07072581 0.65213533 0.43818299 1\n C C10 1 0.35377438 0.18465374 0.24686808 1\n C C11 1 -0.01215434 0.38572621 0.11078815 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.19597000\n_cell_length_b 3.84016000\n_cell_length_c 6.35147000\n_cell_angle_alpha 81.78883000\n_cell_angle_beta 91.23281000\n_cell_angle_gamma 108.78697000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.01725672\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66606782 0.28510309 0.90098665 1\n C C1 1 0.79529320 0.65935724 0.78328532 1\n C C2 1 0.30769684 0.09164578 0.27286778 1\n C C3 1 1.01051898 0.76538054 0.58586575 1\n C C4 1 0.66922365 -0.08761454 -0.09691775 1\n C C5 1 0.47994163 0.32628381 0.09217414 1\n C C6 1 0.30387553 0.73655194 0.27264488 1\n C C7 1 0.12915381 0.50977746 0.46458404 1\n C C8 1 0.48303301 0.68100060 0.09276677 1\n C C9 1 0.13218414 0.13654686 0.46602972 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43978000\n_cell_length_b 7.74627000\n_cell_length_c 4.23011000\n_cell_angle_alpha 57.33397000\n_cell_angle_beta 90.03002000\n_cell_angle_gamma 99.08993000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.10928477\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66657707 0.12808843 0.57694685 1\n C C1 1 0.54717198 0.89740977 0.85067552 1\n C C2 1 0.67908886 1.14256185 0.21208271 1\n C C3 1 -0.11941971 0.56226122 0.14728825 1\n C C4 1 0.33465986 0.46938398 0.39257440 1\n C C5 1 0.87475236 0.54818978 0.81111017 1\n C C6 1 0.21344268 0.22181869 0.63737264 1\n C C7 1 0.36836887 0.53540346 0.66645394 1\n C C8 1 0.18627359 0.15715361 1.04090165 1\n C C9 1 -0.00522486 0.79309630 0.95638287 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48482000\n_cell_length_b 4.78099000\n_cell_length_c 4.68078000\n_cell_angle_alpha 76.26463000\n_cell_angle_beta 74.56839000\n_cell_angle_gamma 58.65669000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44766142\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52027744 0.63367392 0.20180034 1\n C C1 1 0.57949083 0.34626965 0.65774483 1\n C C2 1 0.82865459 0.75249384 0.34650341 1\n C C3 1 0.49673008 0.81390985 0.88823151 1\n C C4 1 -0.14742061 0.57197072 0.66013502 1\n C C5 1 0.77007566 0.03993280 0.89025731 1\n C C6 1 0.53113150 0.10795632 0.23095535 1\n C C7 1 0.81783300 0.27788891 0.31682704 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48972000\n_cell_length_b 6.07379000\n_cell_length_c 6.19614000\n_cell_angle_alpha 89.23119000\n_cell_angle_beta 78.39500000\n_cell_angle_gamma 78.12089000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 89.77893416\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21017355 0.53680939 0.59670629 1\n C C1 1 0.84234181 0.19714011 0.67843605 1\n C C2 1 0.53001926 0.18204394 0.31835884 1\n C C3 1 0.55737105 0.85253370 0.58385861 1\n C C4 1 0.08906811 0.41293632 0.96686912 1\n C C5 1 0.91675654 0.53243288 0.18842543 1\n C C6 1 0.31855523 0.68693806 0.22737216 1\n C C7 1 0.79381505 0.40960166 0.55796835 1\n C C8 1 0.05551797 0.61517346 0.82407999 1\n C C9 1 0.29797884 0.89695338 1.06051053 1\n C C10 1 0.70716645 1.04800395 0.09392311 1\n C C11 1 0.47449699 0.76246595 0.83744318 1\n C C12 1 0.68715087 0.25817623 0.92782949 1\n C C13 1 0.16236102 0.74918207 0.47811941 1\n C C14 1 0.44705406 0.09273164 0.57368813 1\n C C15 1 0.94941311 0.32960403 0.33104151 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42691000\n_cell_length_b 5.79857000\n_cell_length_c 4.23075000\n_cell_angle_alpha 133.25231000\n_cell_angle_beta 89.98395000\n_cell_angle_gamma 90.02818000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.36387071\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17426577 0.24032778 0.45635834 1\n C C1 1 0.17402904 0.17916318 0.74544709 1\n C C2 1 0.67345709 0.67213306 0.31958809 1\n C C3 1 0.17354009 0.82909752 0.45579361 1\n C C4 1 0.67395931 0.32192910 0.03069014 1\n C C5 1 0.67427931 0.26129097 0.32021923 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55171000\n_cell_length_b 2.43893000\n_cell_length_c 6.93623000\n_cell_angle_alpha 69.70205000\n_cell_angle_beta 100.45385000\n_cell_angle_gamma 89.26144000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.67977730\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50981119 0.54739805 0.28547476 1\n C C1 1 0.62563841 0.31770090 0.51464012 1\n C C2 1 0.17823558 0.21300448 0.61877204 1\n C C3 1 0.34928746 0.37589585 0.95588233 1\n C C4 1 0.45695520 1.15491372 0.17758135 1\n C C5 1 0.29508216 -0.01686120 0.84797159 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42670000\n_cell_length_b 4.19012000\n_cell_length_c 13.08760000\n_cell_angle_alpha 110.94208000\n_cell_angle_beta 111.73551000\n_cell_angle_gamma 90.04108000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 114.08335794\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87124959 0.52588706 0.22863266 1\n C C1 1 0.47458461 0.34948952 0.78328686 1\n C C2 1 -0.37590765 -0.05401950 0.60640518 1\n C C3 1 0.39592410 0.21097622 -0.00740977 1\n C C4 1 0.87754771 1.19396783 0.73426836 1\n C C5 1 1.05238161 0.40338247 0.57052907 1\n C C6 1 0.21738632 0.87032178 0.90443781 1\n C C7 1 0.13213876 0.73256541 0.35921680 1\n C C8 1 0.30279788 0.98233404 0.19445950 1\n C C9 1 -0.00371250 0.36328150 0.04265514 1\n C C10 1 0.74833576 0.82270531 0.41804394 1\n C C11 1 0.25603606 0.60873167 0.17087969 1\n C C12 1 1.00972657 0.02897828 0.54875816 1\n C C13 1 0.64636559 0.69216313 0.86916823 1\n C C14 1 0.57634935 0.57279437 0.58316800 1\n C C15 1 0.82673733 0.15174792 0.20710986 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49013000\n_cell_length_b 3.59290000\n_cell_length_c 4.35531000\n_cell_angle_alpha 84.29053000\n_cell_angle_beta 73.37892000\n_cell_angle_gamma 69.65294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00818300\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62653027 0.69855282 0.74088191 1\n C C1 1 0.99593775 -0.04141943 0.74107869 1\n C C2 1 -0.08566827 0.32804910 0.53501342 1\n C C3 1 0.43894725 0.69812243 0.11665906 1\n C C4 1 0.52135182 0.32785407 0.32271045 1\n C C5 1 0.80755538 -0.04165760 0.11690007 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48381000\n_cell_length_b 3.99930000\n_cell_length_c 7.50653000\n_cell_angle_alpha 77.44115000\n_cell_angle_beta 80.37977000\n_cell_angle_gamma 71.91688000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.78713701\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77885061 0.17640642 0.90077272 1\n C C1 1 0.71153824 0.92103683 0.28204848 1\n C C2 1 0.25097837 0.49750561 0.62225588 1\n C C3 1 0.88464248 0.53771800 0.31727447 1\n C C4 1 0.38924786 0.41770688 0.42579286 1\n C C5 1 0.03529700 0.43013695 0.13158152 1\n C C6 1 0.54332201 0.53259206 1.01516709 1\n C C7 1 0.82104643 0.28122091 0.69876166 1\n C C8 1 0.34868287 0.96103109 0.97747587 1\n C C9 1 0.56211063 1.02884095 0.46666648 1\n C C10 1 0.20720845 1.04120469 0.17380692 1\n C C11 1 0.05444914 -0.07382139 0.58317505 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.85813000\n_cell_length_b 3.89636000\n_cell_length_c 8.26603000\n_cell_angle_alpha 128.11707000\n_cell_angle_beta 90.40031000\n_cell_angle_gamma 110.37488000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.39930947\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62227044 0.63131307 0.79814308 1\n C C1 1 -0.05755635 0.46376800 0.95930271 1\n C C2 1 -0.05667214 1.09356599 0.95826389 1\n C C3 1 1.02045394 0.67049281 0.48914160 1\n C C4 1 0.70013202 -0.16062257 0.32803655 1\n C C5 1 0.32298552 0.47862176 0.64273807 1\n C C6 1 0.32016949 0.82274503 0.64436856 1\n C C7 1 0.02085523 0.01824041 0.48829154 1\n C C8 1 1.15165775 0.98544388 0.06119993 1\n C C9 1 0.49111051 0.31828345 0.22553322 1\n C C10 1 0.69888479 0.20924387 0.32873465 1\n C C11 1 0.62186440 0.28373850 0.79909819 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46976000\n_cell_length_b 4.16990000\n_cell_length_c 5.62239000\n_cell_angle_alpha 90.04718000\n_cell_angle_beta 90.00329000\n_cell_angle_gamma 89.99945000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.90301955\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.14282306 0.96319983 0.47315119 1\n C C1 1 0.64357041 0.31625439 0.11026963 1\n C C2 1 0.14355409 0.44852007 0.71274977 1\n C C3 1 0.64351804 0.94519787 0.11009063 1\n C C4 1 0.14346773 0.81361706 0.23470074 1\n C C5 1 0.14333885 0.81420438 0.71254899 1\n C C6 1 0.14306913 0.29867044 0.47320905 1\n C C7 1 0.64340364 0.94593852 0.83614857 1\n C C8 1 0.14349240 0.44795638 0.23493937 1\n C C9 1 0.64363704 0.31676368 0.83630987 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.28030000\n_cell_length_b 4.45564000\n_cell_length_c 4.20782000\n_cell_angle_alpha 50.46218000\n_cell_angle_beta 60.37690000\n_cell_angle_gamma 68.52159000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.64062637\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87402158 0.69251630 0.57402546 1\n C C1 1 0.53753869 0.60511920 0.62921806 1\n C C2 1 0.21234408 0.65300453 0.24597314 1\n C C3 1 0.29062816 0.23639168 0.38433140 1\n C C4 1 0.45643284 0.20643412 0.03777259 1\n C C5 1 0.53487058 0.78978172 0.17631354 1\n C C6 1 0.20965247 0.83776081 0.79307317 1\n C C7 1 0.87319810 0.75010404 0.84832213 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48149000\n_cell_length_b 4.84115000\n_cell_length_c 4.22039000\n_cell_angle_alpha 132.56836000\n_cell_angle_beta 89.93430000\n_cell_angle_gamma 104.92985000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99488793\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38900176 0.05351180 0.60003147 1\n C C1 1 0.61385504 0.49950316 0.83936622 1\n C C2 1 0.93663091 0.14150760 0.18368334 1\n C C3 1 0.13365836 0.53890478 0.65678312 1\n C C4 1 0.35825545 0.98486880 0.89610390 1\n C C5 1 0.81056998 0.89683806 0.31243596 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46377000\n_cell_length_b 3.38709000\n_cell_length_c 5.27329000\n_cell_angle_alpha 87.22798000\n_cell_angle_beta 90.17400000\n_cell_angle_gamma 68.84720000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.98268207\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36211447 0.16531693 0.47566158 1\n C C1 1 0.54190847 0.80383447 0.27839129 1\n C C2 1 0.76905323 0.35193984 0.35031625 1\n C C3 1 0.94862450 -0.00995157 0.15296048 1\n C C4 1 0.39218013 0.09616277 0.75146264 1\n C C5 1 -0.08982440 0.06093956 0.87737506 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45613000\n_cell_length_b 3.66451000\n_cell_length_c 6.46481000\n_cell_angle_alpha 74.04291000\n_cell_angle_beta 100.96959000\n_cell_angle_gamma 109.56438000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.40387261\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69781025 0.29328703 0.69414061 1\n C C1 1 0.64297511 0.81261241 0.06810106 1\n C C2 1 0.42982272 0.18867433 0.26371619 1\n C C3 1 0.20380802 0.78804958 0.21342636 1\n C C4 1 0.15025779 0.30658445 0.58739186 1\n C C5 1 0.79376958 0.24965723 0.93051109 1\n C C6 1 0.05384903 0.35103200 0.35092939 1\n C C7 1 0.41870421 0.41266786 0.01754354 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46452000\n_cell_length_b 6.20141000\n_cell_length_c 7.58176000\n_cell_angle_alpha 60.00413000\n_cell_angle_beta 80.59382000\n_cell_angle_gamma 66.53216000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.96175571\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.23771507 -0.15011737 0.42103939 1\n C C1 1 0.48402015 -0.05768827 0.74112222 1\n C C2 1 0.42320206 0.48936388 0.77309654 1\n C C3 1 0.47695458 0.54241747 0.55755412 1\n C C4 1 0.32361767 1.01812007 0.91224683 1\n C C5 1 0.76192193 0.62925195 0.81641425 1\n C C6 1 0.51642267 0.72795667 0.11184559 1\n C C7 1 0.96642138 0.12164430 0.41953431 1\n C C8 1 0.94089325 0.27018723 0.17674067 1\n C C9 1 0.57902802 0.15460266 0.13069114 1\n C C10 1 -0.26523935 0.54701696 0.03298726 1\n C C11 1 1.00244969 0.67473736 0.24560370 1\n C C12 1 0.37681836 0.16070107 0.52063679 1\n C C13 1 0.10673455 0.45136657 0.48209890 1\n C C14 1 0.76493328 0.88525304 0.29795493 1\n C C15 1 -0.34119260 0.17853031 0.92180056 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53070000\n_cell_length_b 4.15959000\n_cell_length_c 4.78520000\n_cell_angle_alpha 89.98526000\n_cell_angle_beta 74.83714000\n_cell_angle_gamma 89.95605000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.61858120\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66429118 0.83332480 0.66275682 1\n C C1 1 0.38953588 0.48192480 0.20895749 1\n C C2 1 0.53450309 0.33329975 0.91938127 1\n C C3 1 0.53392609 0.00102185 0.92032246 1\n C C4 1 0.80857409 0.98194237 0.37311829 1\n C C5 1 0.38835691 0.85215768 0.20965868 1\n C C6 1 0.66449574 0.50101985 0.66189958 1\n C C7 1 0.80977312 0.35221159 0.37233621 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46513000\n_cell_length_b 3.38853000\n_cell_length_c 5.26636000\n_cell_angle_alpha 88.04709000\n_cell_angle_beta 89.98940000\n_cell_angle_gamma 111.32878000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.95025585\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58362943 0.12064483 0.12404697 1\n C C1 1 0.17557239 0.30397680 -0.00160297 1\n C C2 1 0.54783968 1.04886939 0.39880490 1\n C C3 1 -0.00862165 -0.06226755 0.79997954 1\n C C4 1 0.02975067 1.01089896 0.52522929 1\n C C5 1 0.39926539 0.75393837 0.92531727 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60590000\n_cell_length_b 4.77107000\n_cell_length_c 4.94231000\n_cell_angle_alpha 121.11852000\n_cell_angle_beta 90.23594000\n_cell_angle_gamma 106.53444000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.56663883\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02549259 0.47999037 0.72820126 1\n C C1 1 0.29337113 1.03205357 0.25459149 1\n C C2 1 0.18868281 0.82504348 0.90085457 1\n C C3 1 0.29336305 0.03204857 0.75461154 1\n C C4 1 0.92104035 0.27294937 0.37474814 1\n C C5 1 -0.07898620 0.27294697 0.87476147 1\n C C6 1 0.02572498 0.48004333 0.22821950 1\n C C7 1 0.18892289 0.82508625 0.40087033 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42792000\n_cell_length_b 4.15590000\n_cell_length_c 6.26287000\n_cell_angle_alpha 75.26776000\n_cell_angle_beta 101.11696000\n_cell_angle_gamma 90.08294000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.89382076\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39794424 0.42634419 0.55957703 1\n C C1 1 0.05087395 0.57254739 0.86363215 1\n C C2 1 0.74716481 0.93979429 0.25212131 1\n C C3 1 0.72436194 0.60811220 0.20849497 1\n C C4 1 0.94987917 0.46878654 0.66052405 1\n C C5 1 0.27977916 0.41975685 0.31908241 1\n C C6 1 0.60368979 0.61097213 0.96603400 1\n C C7 1 0.26230574 1.08445630 0.27957758 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48082000\n_cell_length_b 3.68915000\n_cell_length_c 4.21819000\n_cell_angle_alpha 75.05282000\n_cell_angle_beta 89.95279000\n_cell_angle_gamma 70.31988000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96296031\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36163218 0.51188022 0.70389207 1\n C C1 1 0.78338054 0.66819245 0.83496907 1\n C C2 1 -0.09651484 0.42317012 0.20845483 1\n C C3 1 1.10431438 0.02576743 0.13261352 1\n C C4 1 0.32494633 0.58040696 0.33911769 1\n C C5 1 0.58436151 0.06609712 0.91030502 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50331000\n_cell_length_b 4.84711000\n_cell_length_c 6.82619000\n_cell_angle_alpha 109.80504000\n_cell_angle_beta 87.08268000\n_cell_angle_gamma 118.11162000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.14263765\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98248348 0.23826082 0.61773085 1\n C C1 1 0.12254886 0.84455687 0.06192147 1\n C C2 1 -0.08488760 0.19071955 0.38161990 1\n C C3 1 0.17725110 0.48097346 0.30124312 1\n C C4 1 0.21587780 -0.02029465 0.29552367 1\n C C5 1 0.70789019 0.46464282 0.97084186 1\n C C6 1 0.75619494 0.95842130 0.97603480 1\n C C7 1 1.07694715 0.33628163 0.04749963 1\n C C8 1 0.63097081 0.42220549 0.73395370 1\n C C9 1 0.77054409 0.77386773 0.75341194 1\n C C10 1 0.86783450 0.69713390 0.37740439 1\n C C11 1 -0.15673070 0.88626107 0.59958495 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.40402000\n_cell_length_b 3.31205000\n_cell_length_c 10.64239000\n_cell_angle_alpha 115.03726000\n_cell_angle_beta 83.26383000\n_cell_angle_gamma 111.72198000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.24504607\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62784699 0.66871828 0.42340796 1\n C C1 1 -0.18090772 0.73485088 0.09995667 1\n C C2 1 0.16850811 0.22733914 0.89059279 1\n C C3 1 0.52993921 0.73746944 0.67867521 1\n C C4 1 0.27286524 -0.03512915 0.42539109 1\n C C5 1 1.07403734 0.89688203 0.74935010 1\n C C6 1 0.72163897 0.40136993 -0.04110097 1\n C C7 1 0.47116667 0.47053138 0.53067511 1\n C C8 1 0.36638350 0.89747973 0.17035803 1\n C C9 1 0.42777688 0.16353853 0.31836442 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41296000\n_cell_length_b 3.40976000\n_cell_length_c 7.73051000\n_cell_angle_alpha 115.29683000\n_cell_angle_beta 99.49966000\n_cell_angle_gamma 97.13338000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.28491004\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32697438 0.24447470 0.62683087 1\n C C1 1 0.68069675 0.83994609 0.15982647 1\n C C2 1 0.32806184 0.48224212 0.15290993 1\n C C3 1 0.14703084 0.20760394 0.93528942 1\n C C4 1 0.64054139 0.71644831 0.95324151 1\n C C5 1 1.33998857 0.35570809 0.82757738 1\n C C6 1 0.74152395 0.58241552 0.46440195 1\n C C7 1 0.64371674 0.56439422 0.63246695 1\n C C8 1 0.46466944 0.23178581 0.27055297 1\n C C9 1 0.83292656 0.85272579 0.84224436 1\n C C10 1 0.05525621 0.88835233 0.46112328 1\n C C11 1 0.10717332 0.86964017 0.26887490 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42724000\n_cell_length_b 6.50784000\n_cell_length_c 10.56322000\n_cell_angle_alpha 114.52786000\n_cell_angle_beta 99.14043000\n_cell_angle_gamma 84.15885000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 149.75344201\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94478289 0.91046887 0.98232979 1\n C C1 1 0.68982767 -0.12637744 0.18581770 1\n C C2 1 0.68190113 0.35049368 0.33656774 1\n C C3 1 0.63318515 0.59969417 0.38550119 1\n C C4 1 1.17225546 0.93891211 0.39695274 1\n C C5 1 0.39806391 0.57244362 0.97251661 1\n C C6 1 0.33629727 0.40968271 0.82786737 1\n C C7 1 0.19946435 0.23920004 0.31669695 1\n C C8 1 0.88888574 0.63646299 0.18287385 1\n C C9 1 0.07248484 0.68884771 0.33893832 1\n C C10 1 0.50463159 0.82216316 0.02993853 1\n C C11 1 0.80840787 0.33026851 0.75753851 1\n C C12 1 0.20797199 -0.00740015 0.27216611 1\n C C13 1 0.75369077 0.17688664 0.61277318 1\n C C14 1 0.38019944 0.27003201 0.05086764 1\n C C15 1 -0.12928397 0.82986507 0.82779258 1\n C C16 1 -0.28850072 0.67432286 0.53941801 1\n C C17 1 -0.10314622 0.15933385 0.03072832 1\n C C18 1 0.22521929 0.10025248 0.54196276 1\n C C19 1 0.25050546 0.70867418 0.60951526 1\n C C20 1 0.33239139 0.79367711 0.75747701 1\n C C21 1 0.37106171 0.51712873 0.09659532 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46288000\n_cell_length_b 4.35962000\n_cell_length_c 11.86708000\n_cell_angle_alpha 85.05851000\n_cell_angle_beta 84.29207000\n_cell_angle_gamma 89.92770000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 126.31301356\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15826881 0.33017951 0.15231939 1\n C C1 1 0.96442844 0.14881376 0.57097052 1\n C C2 1 0.02703407 0.29750067 0.44525472 1\n C C3 1 -0.55512242 0.30305926 0.61211843 1\n C C4 1 -0.11968114 0.77294776 0.71928894 1\n C C5 1 0.79387576 0.22350447 0.87487486 1\n C C6 1 0.35716177 0.86531717 0.76467999 1\n C C7 1 0.07621739 0.15430832 0.33621735 1\n C C8 1 0.20688635 0.79321573 0.05621582 1\n C C9 1 0.59037254 0.64538703 0.30829225 1\n C C10 1 1.11144439 0.48772551 0.26330080 1\n C C11 1 0.31414919 0.10699167 0.83581988 1\n C C12 1 0.59699010 -0.00042401 0.29342253 1\n C C13 1 0.65203895 0.13428136 0.16679253 1\n C C14 1 0.46869606 0.63318987 0.55432858 1\n C C15 1 0.74930461 0.40307740 -0.03668358 1\n C C16 1 1.22018494 0.48045792 0.02163117 1\n C C17 1 0.52982839 0.50743684 0.43675230 1\n C C18 1 0.69307710 0.90420738 0.08673271 1\n C C19 1 0.94992890 0.79296750 0.59218722 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.17377000\n_cell_length_b 5.15659000\n_cell_length_c 4.17529000\n_cell_angle_alpha 77.24981000\n_cell_angle_beta 60.94033000\n_cell_angle_gamma 101.26302000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.62796728\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30300939 0.49051486 0.53977435 1\n C C1 1 0.27481079 1.21488667 0.47137532 1\n C C2 1 0.37363596 0.68557251 0.14498110 1\n C C3 1 0.73975480 0.68544407 0.77855449 1\n C C4 1 0.59550652 0.21495356 0.15070804 1\n C C5 1 0.00048084 0.59584191 1.17921739 1\n C C6 1 0.60052390 0.99221628 1.01882052 1\n C C7 1 -0.07974743 -0.00770829 0.69858668 1\n C C8 1 0.93944967 0.49031031 0.90347059 1\n C C9 1 0.68439254 0.59566981 0.49510702 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48174000\n_cell_length_b 3.68942000\n_cell_length_c 4.83958000\n_cell_angle_alpha 111.46374000\n_cell_angle_beta 104.84292000\n_cell_angle_gamma 109.65541000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01178216\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02183512 0.70374371 0.63341909 1\n C C1 1 0.06177135 0.28784726 0.12921584 1\n C C2 1 -0.22849251 0.57555657 0.26025385 1\n C C3 1 0.73020154 -0.00891194 0.76411660 1\n C C4 1 1.04510785 0.04837756 0.33587080 1\n C C5 1 0.74652305 0.23053904 0.55763092 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43032000\n_cell_length_b 3.82684000\n_cell_length_c 4.76544000\n_cell_angle_alpha 83.81434000\n_cell_angle_beta 105.21151000\n_cell_angle_gamma 89.76828000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.49476045\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96939136 0.67572445 0.29720944 1\n C C1 1 0.41536635 0.56273170 0.18740321 1\n C C2 1 0.08196217 -0.10374214 0.52061347 1\n C C3 1 0.74863746 0.22955951 0.85396928 1\n C C4 1 0.30271607 0.34242280 0.96385363 1\n C C5 1 0.63598718 1.00925062 0.63041971 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45405000\n_cell_length_b 4.59220000\n_cell_length_c 5.35748000\n_cell_angle_alpha 84.48682000\n_cell_angle_beta 89.94252000\n_cell_angle_gamma 105.48931000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.89169578\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30013025 0.71752881 0.94315969 1\n C C1 1 0.84284470 0.80281901 0.08970227 1\n C C2 1 0.76666610 0.64482057 0.57506203 1\n C C3 1 0.50407259 0.12152204 0.56698532 1\n C C4 1 1.01478313 0.14599279 0.14539755 1\n C C5 1 0.34855152 0.80977661 0.66008616 1\n C C6 1 0.61847609 0.34906708 0.74291075 1\n C C7 1 0.72617322 0.57537332 0.31577523 1\n C C8 1 0.12575631 0.36620417 0.90871017 1\n C C9 1 0.55788430 0.23622390 0.29620053 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44031000\n_cell_length_b 6.46361000\n_cell_length_c 6.71965000\n_cell_angle_alpha 94.26506000\n_cell_angle_beta 87.00182000\n_cell_angle_gamma 97.81524000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 104.61966823\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03863243 0.77910229 0.46754096 1\n C C1 1 0.07540463 0.52540465 0.83308194 1\n C C2 1 0.46836622 0.98998326 0.72406905 1\n C C3 1 0.85834935 0.20399208 0.13093047 1\n C C4 1 0.78412555 0.11591147 0.33745093 1\n C C5 1 0.44353124 0.20781721 0.80815078 1\n C C6 1 0.20795869 -0.02877513 0.32608141 1\n C C7 1 0.45157936 0.44336350 0.45217633 1\n C C8 1 0.60376077 0.60896777 0.90190436 1\n C C9 1 0.90598258 0.32073636 0.48917410 1\n C C10 1 0.65372312 0.76739622 0.05845242 1\n C C11 1 0.50191834 0.65083018 0.44436967 1\n C C12 1 -0.03432114 0.90642823 0.65920051 1\n C C13 1 0.17767802 0.84360213 0.13341084 1\n C C14 1 0.97731414 0.31462062 0.72906137 1\n C C15 1 0.37922911 0.21569766 1.03150037 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47376000\n_cell_length_b 4.23496000\n_cell_length_c 5.45985000\n_cell_angle_alpha 89.99015000\n_cell_angle_beta 90.00692000\n_cell_angle_gamma 89.99688000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.19888680\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04365035 0.76333313 0.65637656 1\n C C1 1 0.45627197 0.46098117 1.00395566 1\n C C2 1 0.45618151 0.46121877 0.31079780 1\n C C3 1 0.95626771 0.63267622 0.91667247 1\n C C4 1 0.45592630 0.12114512 0.39476372 1\n C C5 1 0.45607808 0.12102456 0.91809176 1\n C C6 1 -0.04391916 0.96420995 1.02254529 1\n C C7 1 0.95588494 0.96456506 0.28993969 1\n C C8 1 0.45629900 -0.01619176 0.65632873 1\n C C9 1 0.95617930 0.63319577 0.39638601 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48790000\n_cell_length_b 4.30510000\n_cell_length_c 4.30382000\n_cell_angle_alpha 99.57809000\n_cell_angle_beta 89.99084000\n_cell_angle_gamma 73.20931000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.45945146\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03487314 0.23317370 0.83623451 1\n C C1 1 0.78487314 0.73317370 0.58623451 1\n C C2 1 0.47170474 0.35833982 0.02357434 1\n C C3 1 0.28487314 0.73317370 0.08623451 1\n C C4 1 0.72170474 0.85833982 0.27357434 1\n C C5 1 0.53487314 0.23317370 0.33623451 1\n C C6 1 0.22170474 0.85833982 0.77357434 1\n C C7 1 0.97170474 0.35833982 0.52357434 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42330000\n_cell_length_b 5.22947000\n_cell_length_c 6.45006000\n_cell_angle_alpha 65.77951000\n_cell_angle_beta 89.74058000\n_cell_angle_gamma 89.93107000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.54289411\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91654396 1.05823777 0.54519429 1\n C C1 1 0.42311768 0.06159155 0.22529470 1\n C C2 1 0.40285431 0.70359802 0.85961563 1\n C C3 1 0.43384437 0.14621905 -0.02245797 1\n C C4 1 0.91991736 0.18609678 0.29136694 1\n C C5 1 -0.09951032 0.65293686 -0.02311876 1\n C C6 1 0.91097696 0.49262261 0.22149378 1\n C C7 1 -0.07952477 0.58022745 0.41850528 1\n C C8 1 -0.07319651 0.29363612 0.61487019 1\n C C9 1 0.42005211 0.75576981 0.41879662 1\n C C10 1 0.93627750 0.20790376 -0.14035124 1\n C C11 1 0.41370676 0.86672841 0.61168194 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.28772000\n_cell_length_b 4.21443000\n_cell_length_c 6.09648000\n_cell_angle_alpha 69.68780000\n_cell_angle_beta 56.41350000\n_cell_angle_gamma 75.45535000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.81975247\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37210519 0.29715888 0.42611275 1\n C C1 1 0.03875996 0.96379649 0.09254752 1\n C C2 1 0.70536411 0.29720893 0.75931404 1\n C C3 1 0.70529637 0.79715589 0.25944295 1\n C C4 1 0.03870574 0.29715715 0.09270270 1\n C C5 1 0.37215577 0.46387192 0.92573904 1\n C C6 1 0.70555803 0.46382241 0.25918340 1\n C C7 1 1.03863648 0.79721292 0.59271667 1\n C C8 1 0.37210603 0.96385825 0.42585298 1\n C C9 1 0.03886892 0.46380574 0.59255588 1\n C C10 1 0.37197461 0.79721265 0.92602010 1\n C C11 1 0.70542451 -0.03609104 0.75909527 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.85592000\n_cell_length_b 4.21080000\n_cell_length_c 3.85818000\n_cell_angle_alpha 69.49829000\n_cell_angle_beta 126.79864000\n_cell_angle_gamma 89.91106000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.77159385\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58234018 0.47615681 0.36627118 1\n C C1 1 0.08234357 0.47614654 0.36628120 1\n C C2 1 0.57967902 0.14454436 0.36063960 1\n C C3 1 0.83237711 -0.02389351 0.36632405 1\n C C4 1 0.33232135 -0.02386535 0.36625702 1\n C C5 1 1.07970034 0.14454502 0.36065218 1\n C C6 1 0.32965730 0.64458559 0.36059983 1\n C C7 1 0.82970943 0.64456245 0.36066934 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.62494000\n_cell_length_b 3.77395000\n_cell_length_c 3.58674000\n_cell_angle_alpha 98.19743000\n_cell_angle_beta 76.61856000\n_cell_angle_gamma 75.06271000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.04244646\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03467077 0.14965033 0.60666140 1\n C C1 1 0.47531431 0.65008821 0.10701798 1\n C C2 1 0.82166222 -0.04286347 0.41483208 1\n C C3 1 0.44171265 0.95631233 0.41349312 1\n C C4 1 0.88238171 0.45680783 0.91376000 1\n C C5 1 0.09493573 0.64964647 1.10576851 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44276000\n_cell_length_b 4.19536000\n_cell_length_c 6.45360000\n_cell_angle_alpha 71.70109000\n_cell_angle_beta 79.08865000\n_cell_angle_gamma 90.00403000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 61.53269558\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74836648 0.57685904 0.46352484 1\n C C1 1 0.96484278 1.04940294 1.02207436 1\n C C2 1 0.41161358 0.93548483 0.12781291 1\n C C3 1 0.27935270 0.09967330 0.41280531 1\n C C4 1 0.62209567 0.41628527 0.70938872 1\n C C5 1 0.29320165 0.77346212 0.37364759 1\n C C6 1 0.06800767 0.30293530 0.81508019 1\n C C7 1 0.77395336 0.25190379 0.42279708 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48778000\n_cell_length_b 4.30543000\n_cell_length_c 4.30387000\n_cell_angle_alpha 80.41411000\n_cell_angle_beta 90.01047000\n_cell_angle_gamma 73.21209000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.46070062\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12284757 0.14548793 0.73109535 1\n C C1 1 0.68575483 0.02035339 0.91873679 1\n C C2 1 0.62285087 0.14550323 0.23111626 1\n C C3 1 0.43574206 0.52034978 0.16885777 1\n C C4 1 -0.12724230 0.64549750 0.98121788 1\n C C5 1 0.18590642 0.02033332 0.41873162 1\n C C6 1 0.37311216 0.64550667 0.48119615 1\n C C7 1 0.93610469 0.52034478 0.66882329 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51648000\n_cell_length_b 2.48696000\n_cell_length_c 4.30413000\n_cell_angle_alpha 73.20600000\n_cell_angle_beta 65.89826000\n_cell_angle_gamma 89.99138000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59375267\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65042558 0.66378937 0.29851233 1\n C C1 1 -0.01624109 0.99712270 0.63184567 1\n C C2 1 0.90074866 0.16381633 0.29845840 1\n C C3 1 0.23408199 0.49714966 0.63179174 1\n C C4 1 0.56741532 0.83048300 0.96512507 1\n C C5 1 0.31709225 0.33045603 -0.03482100 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43158000\n_cell_length_b 6.21458000\n_cell_length_c 4.05078000\n_cell_angle_alpha 109.54534000\n_cell_angle_beta 91.86196000\n_cell_angle_gamma 87.55723000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.62188074\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90177285 0.58643354 0.80269123 1\n C C1 1 0.90159928 0.41965297 0.47050633 1\n C C2 1 0.40159243 0.16980403 -0.02930366 1\n C C3 1 0.90157778 0.91973186 0.47046108 1\n C C4 1 0.40156906 0.66998064 0.97054910 1\n C C5 1 0.40166201 0.33724511 0.30230047 1\n C C6 1 0.40167732 0.83738086 0.30211612 1\n C C7 1 -0.09821914 0.08632169 0.80276734 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.90123000\n_cell_length_b 3.41187000\n_cell_length_c 4.81915000\n_cell_angle_alpha 117.90534000\n_cell_angle_beta 118.21080000\n_cell_angle_gamma 97.87744000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.35198591\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39246271 0.89323369 0.59739960 1\n C C1 1 0.45192573 0.95221719 0.15739710 1\n C C2 1 0.66530971 0.16756638 0.56393735 1\n C C3 1 0.01135312 0.51321706 0.21665529 1\n C C4 1 0.60678020 0.10796987 1.00394616 1\n C C5 1 1.04670093 0.54757951 0.94441210 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43937000\n_cell_length_b 4.22712000\n_cell_length_c 6.52859000\n_cell_angle_alpha 89.99195000\n_cell_angle_beta 100.72201000\n_cell_angle_gamma 89.99752000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.14431214\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35323378 0.71848937 1.05645850 1\n C C1 1 0.38229086 0.37932118 0.12316114 1\n C C2 1 0.56932247 0.82554149 0.48508573 1\n C C3 1 -0.11203672 0.22223641 0.13700917 1\n C C4 1 0.68741118 -0.13001223 0.71542858 1\n C C5 1 1.20315293 0.37798109 0.74317809 1\n C C6 1 0.69855837 0.22081923 0.73132293 1\n C C7 1 0.01857620 0.82557868 0.38127961 1\n C C8 1 0.89884370 0.87100714 0.15031239 1\n C C9 1 0.23276253 0.71735114 0.80886276 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42770000\n_cell_length_b 4.81787000\n_cell_length_c 7.48530000\n_cell_angle_alpha 77.15947000\n_cell_angle_beta 71.04898000\n_cell_angle_gamma 59.72100000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.32525799\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46196881 0.01407878 0.15454599 1\n C C1 1 0.09639508 0.85612585 0.17882566 1\n C C2 1 0.14393159 0.36787803 0.11926846 1\n C C3 1 0.98425652 0.00923120 0.63825465 1\n C C4 1 0.34860302 0.37023792 0.41525229 1\n C C5 1 0.56669491 0.86640990 0.69766989 1\n C C6 1 -0.12710064 0.26533924 0.49537904 1\n C C7 1 0.41563321 0.50218862 0.21377583 1\n C C8 1 1.21344606 0.50014613 0.91770959 1\n C C9 1 0.68578623 0.60724334 0.83844681 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.79100000\n_cell_length_b 3.64398000\n_cell_length_c 5.44877000\n_cell_angle_alpha 63.57047000\n_cell_angle_beta 61.94366000\n_cell_angle_gamma 77.28359000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.78834964\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16434521 0.53515268 0.26035069 1\n C C1 1 0.66745872 0.47589494 0.75954121 1\n C C2 1 0.86106575 0.26198969 0.56843635 1\n C C3 1 0.86106685 0.88097692 0.56813078 1\n C C4 1 0.35850288 0.32157393 0.06894793 1\n C C5 1 0.16414400 0.91654834 0.26044434 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47173000\n_cell_length_b 5.20845000\n_cell_length_c 5.84105000\n_cell_angle_alpha 103.62312000\n_cell_angle_beta 102.13580000\n_cell_angle_gamma 90.09094000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.34476421\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93970900 0.20527728 0.05610219 1\n C C1 1 1.18822576 0.48677534 0.55079486 1\n C C2 1 0.41721097 0.57545147 0.00734206 1\n C C3 1 0.70461569 0.93536315 0.58870680 1\n C C4 1 0.59324650 0.05777502 0.35878386 1\n C C5 1 1.21349752 0.78337007 0.60829592 1\n C C6 1 0.80313398 0.19784393 0.78760872 1\n C C7 1 0.61911054 0.37141973 0.41200118 1\n C C8 1 0.29484989 0.36363226 0.76860577 1\n C C9 1 0.93553338 0.72775499 1.04044180 1\n C C10 1 0.48692012 0.36483308 0.15128847 1\n C C11 1 0.01417475 -0.01163221 0.19991209 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43717000\n_cell_length_b 4.19932000\n_cell_length_c 8.77105000\n_cell_angle_alpha 99.15675000\n_cell_angle_beta 73.90394000\n_cell_angle_gamma 90.01672000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.05788018\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79581774 0.44512464 0.15180286 1\n C C1 1 1.22857684 0.09009058 0.71911792 1\n C C2 1 0.99495090 0.04293631 0.46054239 1\n C C3 1 0.74971455 1.11763238 0.20014957 1\n C C4 1 0.56535755 0.17283968 0.39013114 1\n C C5 1 0.07264556 1.00998269 0.87548730 1\n C C6 1 0.49743589 0.97327477 0.95113346 1\n C C7 1 0.01313489 0.68805330 0.45048604 1\n C C8 1 0.52446066 0.52766472 0.43985376 1\n C C9 1 0.31035530 0.59689501 0.13709272 1\n C C10 1 0.32447285 0.94295513 0.12445325 1\n C C11 1 -0.19106333 0.10621680 0.63939099 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44542000\n_cell_length_b 5.14973000\n_cell_length_c 7.89234000\n_cell_angle_alpha 86.10435000\n_cell_angle_beta 81.63754000\n_cell_angle_gamma 83.51473000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 97.57001728\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56051018 0.89513610 0.54847618 1\n C C1 1 0.06509742 0.62300183 0.78510847 1\n C C2 1 1.05860307 0.96613011 0.13090509 1\n C C3 1 0.32332538 0.41082411 0.48480401 1\n C C4 1 0.06594466 0.39694831 0.88521058 1\n C C5 1 0.57349886 0.27048109 -0.06542151 1\n C C6 1 0.58221722 0.05117669 0.03980410 1\n C C7 1 0.59533048 0.68333390 0.68796730 1\n C C8 1 0.04404755 0.68228891 0.18341145 1\n C C9 1 0.54951627 0.55456756 0.21199962 1\n C C10 1 0.50034287 0.29936573 0.31300213 1\n C C11 1 1.04253758 0.12878995 0.30563308 1\n C C12 1 0.76630042 0.48300963 0.55144493 1\n C C13 1 0.06822463 0.96634608 0.47096146 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42636000\n_cell_length_b 4.22605000\n_cell_length_c 4.22629000\n_cell_angle_alpha 87.36200000\n_cell_angle_beta 90.00357000\n_cell_angle_gamma 89.99641000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.29010905\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17238124 0.77756641 0.16373521 1\n C C1 1 0.67258445 0.69490390 0.67041465 1\n C C2 1 0.17260137 0.83903640 0.81436715 1\n C C3 1 0.17284758 0.18859566 0.75466985 1\n C C4 1 0.67236358 0.75547407 0.32059135 1\n C C5 1 0.67285879 0.34560585 0.73129598 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48161000\n_cell_length_b 3.68906000\n_cell_length_c 4.21879000\n_cell_angle_alpha 104.77998000\n_cell_angle_beta 90.01054000\n_cell_angle_gamma 109.64116000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01452822\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21555537 0.56780871 0.60015618 1\n C C1 1 0.63697230 0.41066918 0.73080389 1\n C C2 1 0.43999530 1.01333974 0.80659379 1\n C C3 1 0.95918518 0.05150952 0.02830305 1\n C C4 1 0.18307660 0.49703656 0.23479091 1\n C C5 1 0.76116615 0.65349699 1.10373429 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43056000\n_cell_length_b 6.27402000\n_cell_length_c 4.66435000\n_cell_angle_alpha 105.41999000\n_cell_angle_beta 121.37097000\n_cell_angle_gamma 89.98130000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.71454758\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78886600 -0.04429712 0.10235356 1\n C C1 1 0.04050500 0.20690637 0.85404302 1\n C C2 1 0.54067403 0.70703974 0.35431331 1\n C C3 1 0.37540267 -0.12576910 0.18917637 1\n C C4 1 0.62354216 1.12292123 0.93724937 1\n C C5 1 0.87550383 0.37430499 0.68934852 1\n C C6 1 0.12379050 0.62312977 0.43763737 1\n C C7 1 0.28907191 0.45586261 0.60267949 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48491000\n_cell_length_b 4.67852000\n_cell_length_c 4.78121000\n_cell_angle_alpha 87.80474000\n_cell_angle_beta 121.31037000\n_cell_angle_gamma 105.34732000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.46285831\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68728050 0.45035479 0.54430669 1\n C C1 1 0.21105456 1.02318873 0.78198350 1\n C C2 1 0.62531278 0.13899776 0.13783832 1\n C C3 1 1.11040974 0.68272934 0.85058441 1\n C C4 1 0.58428204 0.10906966 0.61204822 1\n C C5 1 -0.03815868 0.45265034 0.31818821 1\n C C6 1 0.83520820 0.68060537 0.07622583 1\n C C7 1 0.17188377 -0.00576379 0.25680842 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45606000\n_cell_length_b 3.66200000\n_cell_length_c 7.35566000\n_cell_angle_alpha 67.04331000\n_cell_angle_beta 59.90460000\n_cell_angle_gamma 70.35617000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.87836656\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33333464 0.63393953 0.18262891 1\n C C1 1 0.63112874 0.75457292 0.61009527 1\n C C2 1 0.34027685 0.59752256 0.52317007 1\n C C3 1 0.35525380 0.15011760 0.66188340 1\n C C4 1 0.65324240 1.11369629 0.80808450 1\n C C5 1 0.67016551 0.66650397 0.94705021 1\n C C6 1 0.67659281 0.63457510 0.28702601 1\n C C7 1 0.37845795 0.50938912 0.86015542 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58399000\n_cell_length_b 3.64744000\n_cell_length_c 5.43193000\n_cell_angle_alpha 70.32533000\n_cell_angle_beta 62.79528000\n_cell_angle_gamma 89.85115000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.16840634\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97824304 0.78380127 0.52909801 1\n C C1 1 0.67253391 0.12964160 0.83712752 1\n C C2 1 0.97804538 0.39919861 0.52910919 1\n C C3 1 0.48157794 0.34198517 0.02769362 1\n C C4 1 0.67230604 0.74488652 0.83730499 1\n C C5 1 0.16856809 0.18670173 0.33860817 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42886000\n_cell_length_b 6.19917000\n_cell_length_c 4.15022000\n_cell_angle_alpha 71.28802000\n_cell_angle_beta 89.93325000\n_cell_angle_gamma 78.72689000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.91703702\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23347803 0.12375045 0.48941822 1\n C C1 1 0.77414349 1.04997532 1.01969771 1\n C C2 1 0.75028168 0.09142966 0.35036454 1\n C C3 1 0.21488876 0.16780444 0.81958360 1\n C C4 1 0.44704633 0.70652205 -0.02308747 1\n C C5 1 0.89682522 0.80465691 0.02453353 1\n C C6 1 0.09488619 0.41412271 0.81291285 1\n C C7 1 0.54482351 0.51321957 0.85860423 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.82701000\n_cell_length_b 2.43042000\n_cell_length_c 4.89916000\n_cell_angle_alpha 81.50882000\n_cell_angle_beta 86.19489000\n_cell_angle_gamma 82.56665000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.63810347\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21885455 0.68228069 0.65292949 1\n C C1 1 0.32972846 0.12627818 0.76515899 1\n C C2 1 -0.11626919 0.34896739 0.32044181 1\n C C3 1 0.55346687 0.01543049 -0.01435975 1\n C C4 1 0.66445577 0.45943081 0.09778021 1\n C C5 1 0.99445493 0.79298124 0.43277245 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.22844000\n_cell_length_b 2.47194000\n_cell_length_c 5.74789000\n_cell_angle_alpha 115.47644000\n_cell_angle_beta 80.06559000\n_cell_angle_gamma 112.54202000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.24525923\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48361529 0.87995815 0.16695721 1\n C C1 1 0.49240901 0.79367160 0.57603550 1\n C C2 1 0.12784920 0.83094992 0.79483904 1\n C C3 1 0.48393751 0.22743005 1.01422475 1\n C C4 1 0.49162162 0.13995638 0.42309500 1\n C C5 1 0.85011439 0.19216209 0.79477979 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60842000\n_cell_length_b 4.75064000\n_cell_length_c 4.75051000\n_cell_angle_alpha 117.31881000\n_cell_angle_beta 74.30799000\n_cell_angle_gamma 105.72883000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.60311864\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46246332 0.18380991 0.77305065 1\n C C1 1 0.35948186 0.33024338 0.12651038 1\n C C2 1 0.46240835 0.68382503 0.27306840 1\n C C3 1 1.08001269 0.30428232 0.65255560 1\n C C4 1 0.35949782 0.83024128 0.62652549 1\n C C5 1 0.18206230 0.65753249 0.79932103 1\n C C6 1 0.07999164 0.80430047 0.15258208 1\n C C7 1 0.18204101 0.15753272 0.29930737 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47316000\n_cell_length_b 4.47017000\n_cell_length_c 4.24872000\n_cell_angle_alpha 111.39457000\n_cell_angle_beta 90.00160000\n_cell_angle_gamma 123.61135000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.16572200\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33022794 0.81839256 0.32669355 1\n C C1 1 0.21833479 0.20705384 0.10397861 1\n C C2 1 0.73819092 0.22657965 0.32662536 1\n C C3 1 1.17365531 0.66148465 0.60462179 1\n C C4 1 0.78436035 0.77231971 0.82607294 1\n C C5 1 0.62688910 0.61533798 0.10398835 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.54647000\n_cell_length_b 6.03299000\n_cell_length_c 6.08440000\n_cell_angle_alpha 63.85610000\n_cell_angle_beta 79.85919000\n_cell_angle_gamma 73.59224000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 111.90137608\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40892050 0.66949209 0.78327049 1\n C C1 1 0.98827745 0.81882479 0.80291623 1\n C C2 1 0.55797677 0.52972357 0.04744993 1\n C C3 1 1.02214957 0.08121940 0.78267224 1\n C C4 1 0.19364736 0.67539748 0.39043068 1\n C C5 1 0.66341339 0.88147431 0.16986832 1\n C C6 1 0.92058983 0.06305231 0.03059057 1\n C C7 1 0.51809551 0.55471821 0.57960413 1\n C C8 1 0.66040286 0.86599212 0.63790644 1\n C C9 1 1.11566192 0.28127708 0.41248197 1\n C C10 1 0.19159942 0.53488062 0.23110371 1\n C C11 1 0.41288016 0.13276666 0.60865794 1\n C C12 1 0.77261409 0.74834259 0.44646123 1\n C C13 1 -0.16670353 0.68348378 0.06789937 1\n C C14 1 0.71669124 0.28142510 0.60277410 1\n C C15 1 0.24515747 0.94103787 0.21148713 1\n C C16 1 0.07747474 0.16529304 0.26391205 1\n C C17 1 0.81907834 0.28310829 0.09173149 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47339000\n_cell_length_b 4.22581000\n_cell_length_c 6.75693000\n_cell_angle_alpha 89.99876000\n_cell_angle_beta 89.99934000\n_cell_angle_gamma 90.00034000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.62394719\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54589650 0.57881965 0.57210509 1\n C C1 1 1.04585987 0.00225624 0.07221350 1\n C C2 1 0.04607589 0.21648386 0.37082643 1\n C C3 1 0.54579544 0.36482280 0.87080317 1\n C C4 1 0.54586201 0.22023513 0.07255768 1\n C C5 1 0.04581827 0.21895393 0.77495737 1\n C C6 1 0.54602253 0.70090629 0.35183872 1\n C C7 1 0.54607975 0.36246401 0.27483950 1\n C C8 1 1.04580219 0.88032717 0.85182790 1\n C C9 1 0.04601537 0.87816372 0.29224979 1\n C C10 1 0.04590278 0.36100070 0.57257981 1\n C C11 1 0.54578900 0.70313951 0.79210624 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48022000\n_cell_length_b 3.68895000\n_cell_length_c 4.89063000\n_cell_angle_alpha 92.63901000\n_cell_angle_beta 59.51452000\n_cell_angle_gamma 70.37578000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00588783\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80567732 0.68423338 0.36188387 1\n C C1 1 0.76112635 0.76716850 0.86498759 1\n C C2 1 0.35874438 0.84089492 0.23042267 1\n C C3 1 1.19010236 0.32251885 0.65894378 1\n C C4 1 0.93080207 0.28569894 0.43653220 1\n C C5 1 0.31383343 0.92426241 0.73403739 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43922000\n_cell_length_b 5.71244000\n_cell_length_c 5.88679000\n_cell_angle_alpha 64.40517000\n_cell_angle_beta 89.92350000\n_cell_angle_gamma 77.65146000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 71.87839619\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76553904 0.03340734 0.50123618 1\n C C1 1 0.67333027 0.21204534 0.63086623 1\n C C2 1 0.67692498 0.20639753 0.22314572 1\n C C3 1 0.13526950 0.28606822 0.69046592 1\n C C4 1 1.04706923 0.46161556 0.82355498 1\n C C5 1 0.34504366 0.87379180 0.58224437 1\n C C6 1 0.46767209 0.62108151 0.74501759 1\n C C7 1 1.13653454 0.28559399 0.10105080 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47583000\n_cell_length_b 4.18372000\n_cell_length_c 4.79207000\n_cell_angle_alpha 64.15985000\n_cell_angle_beta 89.97731000\n_cell_angle_gamma 89.96289000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.67407253\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69396554 0.76828183 0.92538670 1\n C C1 1 0.69365942 0.58994596 0.28175165 1\n C C2 1 0.19399661 0.34545666 0.77024929 1\n C C3 1 0.19391850 0.97601621 0.77040445 1\n C C4 1 1.19374254 1.01202355 0.43669498 1\n C C5 1 0.19361484 0.64257880 0.43686080 1\n C C6 1 -0.30639688 0.21978583 0.28170994 1\n C C7 1 0.69382123 0.39806996 0.92535009 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48371000\n_cell_length_b 4.04793000\n_cell_length_c 5.01420000\n_cell_angle_alpha 66.15906000\n_cell_angle_beta 85.57492000\n_cell_angle_gamma 78.99791000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.26306714\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.31382419 0.74626180 0.76179649 1\n C C1 1 0.36705845 0.13606870 0.51997414 1\n C C2 1 0.50086858 0.08810403 0.23583941 1\n C C3 1 0.68425971 0.69853199 0.23549664 1\n C C4 1 0.18437899 0.79352140 0.04522085 1\n C C5 1 0.81350655 0.36761460 0.51957630 1\n C C6 1 -0.13282992 0.51569004 0.76145702 1\n C C7 1 0.00100544 0.18332003 1.04499506 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45195000\n_cell_length_b 4.53575000\n_cell_length_c 4.65686000\n_cell_angle_alpha 84.93847000\n_cell_angle_beta 58.18351000\n_cell_angle_gamma 74.31131000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.27579633\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06890957 0.15251507 0.53207528 1\n C C1 1 1.04635380 0.46350731 0.40023834 1\n C C2 1 0.70510698 0.52055482 0.21283190 1\n C C3 1 0.59262981 0.70757451 0.73211085 1\n C C4 1 0.56666574 1.01861078 0.60105111 1\n C C5 1 0.93460550 0.64985811 0.91946703 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48771000\n_cell_length_b 3.51760000\n_cell_length_c 4.30545000\n_cell_angle_alpha 114.11295000\n_cell_angle_beta 106.77467000\n_cell_angle_gamma 89.98437000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62547894\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17911058 0.05849867 0.31986546 1\n C C1 1 0.34606334 0.47509566 0.65327195 1\n C C2 1 0.01257193 0.14173443 0.98660106 1\n C C3 1 0.51244143 0.39179375 0.98652147 1\n C C4 1 0.67924401 0.80843913 0.31994354 1\n C C5 1 0.84593151 0.72514615 0.65319093 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45344000\n_cell_length_b 4.25426000\n_cell_length_c 7.66707000\n_cell_angle_alpha 61.99102000\n_cell_angle_beta 80.76580000\n_cell_angle_gamma 73.21554000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.61330410\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13325860 0.74712953 0.26188695 1\n C C1 1 0.64744405 0.39442053 0.57900384 1\n C C2 1 0.69194834 0.75670148 0.13879738 1\n C C3 1 0.60957220 0.11375919 -0.05516239 1\n C C4 1 0.90615818 0.71146379 0.74487452 1\n C C5 1 -0.01028079 0.35431185 0.93876515 1\n C C6 1 0.94865212 1.07353358 0.30523378 1\n C C7 1 0.39050235 1.06411656 0.42662021 1\n C C8 1 0.72351663 0.05400704 0.76788132 1\n C C9 1 0.46344192 0.72106270 0.62207021 1\n C C10 1 0.87346591 0.41415073 1.11579406 1\n C C11 1 0.20544869 0.40381190 0.45766118 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63987000\n_cell_length_b 3.44519000\n_cell_length_c 9.40452000\n_cell_angle_alpha 73.90658000\n_cell_angle_beta 60.85472000\n_cell_angle_gamma 94.13856000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 95.90135977\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21044953 0.36693473 0.91487138 1\n C C1 1 0.46409233 -0.32228933 0.33920299 1\n C C2 1 0.23211684 0.28413384 0.64405429 1\n C C3 1 0.48757065 0.44576383 0.08927362 1\n C C4 1 0.21007994 -0.07129241 0.99731771 1\n C C5 1 0.53363569 0.68923459 0.91719464 1\n C C6 1 0.26106900 0.62437315 0.23441952 1\n C C7 1 0.26467229 0.55387379 0.73997415 1\n C C8 1 -0.05273567 0.84584124 0.74105344 1\n C C9 1 0.21990648 0.01965560 0.14593323 1\n C C10 1 1.05509978 0.53352617 0.52726505 1\n C C11 1 0.78729309 0.37386383 0.34845442 1\n C C12 1 0.76156646 0.80253765 0.62220948 1\n C C13 1 0.79364937 1.11044055 0.24548976 1\n C C14 1 0.88990118 0.46689354 0.06840902 1\n C C15 1 0.71056664 0.22820243 0.53114629 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.12104000\n_cell_length_b 4.24375000\n_cell_length_c 6.06963000\n_cell_angle_alpha 122.89525000\n_cell_angle_beta 140.09392000\n_cell_angle_gamma 67.78429000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.19383759\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00015547 0.02238083 0.48422059 1\n C C1 1 1.00038910 0.68891787 0.81733008 1\n C C2 1 0.33411292 0.35541954 0.81773961 1\n C C3 1 0.33400411 0.02201614 0.15101960 1\n C C4 1 0.33439720 0.68853768 0.48419635 1\n C C5 1 1.00011160 0.35582933 0.15086028 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47541000\n_cell_length_b 4.24857000\n_cell_length_c 4.24908000\n_cell_angle_alpha 51.93860000\n_cell_angle_beta 89.99658000\n_cell_angle_gamma 90.01191000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18462562\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80877773 0.54730370 1.05349541 1\n C C1 1 0.80870481 0.95544356 0.64533683 1\n C C2 1 0.30869501 0.50096030 0.59910740 1\n C C3 1 0.80874036 0.39030495 0.48839408 1\n C C4 1 0.30873056 0.93582168 0.44216465 1\n C C5 1 0.30865764 0.34396154 1.03400606 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.21171000\n_cell_length_b 4.21094000\n_cell_length_c 5.66571000\n_cell_angle_alpha 96.91329000\n_cell_angle_beta 97.90202000\n_cell_angle_gamma 120.00682000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 84.06736311\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27824481 0.83990794 0.83775989 1\n C C1 1 0.75152067 0.30868982 0.33722144 1\n C C2 1 -0.05508852 0.17324127 0.83775989 1\n C C3 1 0.41818733 0.64202316 0.33722144 1\n C C4 1 0.61290558 0.17448907 0.84175934 1\n C C5 1 0.61157814 0.50657460 0.83775989 1\n C C6 1 0.41951477 0.30993762 0.34122089 1\n C C7 1 0.75284810 0.97660429 0.34122089 1\n C C8 1 1.08485400 0.97535649 0.33722144 1\n C C9 1 1.08618143 0.64327096 0.34122089 1\n C C10 1 0.94623891 0.84115573 0.84175934 1\n C C11 1 0.27957225 0.50782240 0.84175934 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48774000\n_cell_length_b 4.30374000\n_cell_length_c 4.30395000\n_cell_angle_alpha 99.58794000\n_cell_angle_beta 106.79874000\n_cell_angle_gamma 89.99705000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.44145890\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52366245 0.35150063 0.50726028 1\n C C1 1 0.33545481 0.28877237 0.13224886 1\n C C2 1 0.77344677 0.10145233 1.00728340 1\n C C3 1 0.58588147 1.03882277 0.63222101 1\n C C4 1 0.27334441 0.60141847 1.00721343 1\n C C5 1 0.83537527 0.78873802 0.13216052 1\n C C6 1 1.08566265 0.53880922 0.63219289 1\n C C7 1 0.02381297 -0.14851081 0.50722741 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46168000\n_cell_length_b 4.83146000\n_cell_length_c 7.52078000\n_cell_angle_alpha 114.04380000\n_cell_angle_beta 95.55943000\n_cell_angle_gamma 91.50118000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.09069099\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72879969 1.01466849 0.19137789 1\n C C1 1 0.53334571 1.00535098 0.61158448 1\n C C2 1 0.59837874 0.47550382 0.90728401 1\n C C3 1 0.01996011 0.53262952 0.38982340 1\n C C4 1 -0.08447090 0.24203427 0.41239037 1\n C C5 1 0.04899081 0.71822457 0.73603435 1\n C C6 1 0.53642472 0.54445636 0.73268736 1\n C C7 1 1.14034772 0.50502832 0.19713569 1\n C C8 1 0.64268414 0.64246920 0.12347361 1\n C C9 1 0.60764782 0.15225793 0.83742159 1\n C C10 1 0.47202799 0.24544433 0.53602662 1\n C C11 1 0.11991233 0.02703057 0.89578058 1\n C C12 1 0.19117395 1.11778991 0.10959847 1\n C C13 1 0.01947516 0.80688413 0.56539259 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43646000\n_cell_length_b 6.04035000\n_cell_length_c 5.26258000\n_cell_angle_alpha 79.24091000\n_cell_angle_beta 95.85769000\n_cell_angle_gamma 60.49263000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.49179206\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66531557 0.15800494 0.12911924 1\n C C1 1 0.81582818 0.71597634 -0.00547123 1\n C C2 1 0.84203350 0.41358922 0.36658285 1\n C C3 1 0.55535348 0.24120658 0.38405176 1\n C C4 1 0.19480421 0.12363645 1.01138381 1\n C C5 1 0.48161437 0.61082653 0.10200497 1\n C C6 1 0.05173240 0.74082654 0.54634035 1\n C C7 1 0.38164520 0.98087922 0.80035518 1\n C C8 1 0.67389638 0.62326998 0.51049339 1\n C C9 1 0.82322980 0.99711041 0.62743167 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.71605000\n_cell_length_b 3.53333000\n_cell_length_c 4.83038000\n_cell_angle_alpha 64.91728000\n_cell_angle_beta 58.27704000\n_cell_angle_gamma 96.70670000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.85388079\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43869828 0.79780808 0.42606618 1\n C C1 1 0.49911737 0.85753421 0.86543487 1\n C C2 1 0.05865288 0.41688667 0.80609074 1\n C C3 1 0.65259515 0.01188412 0.02006956 1\n C C4 1 0.71289000 1.07171449 0.45944239 1\n C C5 1 1.09333952 0.45232404 0.07940015 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45862000\n_cell_length_b 5.60465000\n_cell_length_c 6.02279000\n_cell_angle_alpha 88.98183000\n_cell_angle_beta 101.79344000\n_cell_angle_gamma 89.91793000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.22645190\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65223959 0.53986912 0.23833307 1\n C C1 1 0.51125100 0.24182780 0.95253237 1\n C C2 1 1.10918821 0.92722513 0.14677465 1\n C C3 1 0.52890770 0.49356282 -0.00833713 1\n C C4 1 0.82488910 0.28503991 0.58895753 1\n C C5 1 -0.29569911 0.28784044 0.34021496 1\n C C6 1 0.40051234 0.90824594 0.74371339 1\n C C7 1 0.38522764 0.17327146 0.70942571 1\n C C8 1 0.61824491 1.09214448 0.16468975 1\n C C9 1 0.31147521 0.69371084 0.56152443 1\n C C10 1 -0.02518626 0.85034543 -0.11011008 1\n C C11 1 -0.02605846 0.59202389 0.88447575 1\n C C12 1 0.18401132 0.69290198 0.29999850 1\n C C13 1 0.85281522 0.55258855 0.64089441 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45962000\n_cell_length_b 4.74533000\n_cell_length_c 8.86156000\n_cell_angle_alpha 81.73147000\n_cell_angle_beta 65.40085000\n_cell_angle_gamma 74.95461000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.74345470\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80594940 0.17408201 0.78671421 1\n C C1 1 0.11176028 -0.06834116 0.66504696 1\n C C2 1 0.19720562 0.04625822 0.23705733 1\n C C3 1 0.76943765 0.48335856 0.70959647 1\n C C4 1 1.15563833 0.13872136 0.89873500 1\n C C5 1 0.86085111 0.86818236 0.18703933 1\n C C6 1 0.10492452 0.64415792 0.76561150 1\n C C7 1 0.69634968 0.45824136 0.43275610 1\n C C8 1 0.20186274 0.33435741 0.13754701 1\n C C9 1 0.81289861 0.67522156 0.94842805 1\n C C10 1 0.84913611 0.36815026 1.02782025 1\n C C11 1 1.00525142 0.56688628 0.52395603 1\n C C12 1 -0.10914499 0.12795673 0.41279553 1\n C C13 1 -0.20975794 0.90916525 0.55320513 1\n C C14 1 -0.09511382 0.56697824 0.25718152 1\n C C15 1 0.15653730 0.84337184 0.99651248 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46361000\n_cell_length_b 5.58692000\n_cell_length_c 5.99862000\n_cell_angle_alpha 87.03032000\n_cell_angle_beta 95.58872000\n_cell_angle_gamma 95.95731000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 81.65616803\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65394127 0.44842010 0.24410968 1\n C C1 1 0.69673633 1.03214510 0.81432377 1\n C C2 1 0.69397015 0.68413699 0.15063830 1\n C C3 1 0.14012664 0.16005747 0.47896803 1\n C C4 1 0.65456458 0.10778623 0.58749029 1\n C C5 1 0.14001952 0.33604232 0.30250777 1\n C C6 1 0.20998368 0.97836171 0.92197629 1\n C C7 1 0.20799463 0.79706825 0.09367329 1\n C C8 1 0.79652268 0.57542229 0.68700244 1\n C C9 1 0.29710421 0.57608404 0.68807465 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63912000\n_cell_length_b 4.47148000\n_cell_length_c 6.50590000\n_cell_angle_alpha 93.65926000\n_cell_angle_beta 59.44918000\n_cell_angle_gamma 83.39784000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 89.63490690\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77744472 0.63009613 0.29422725 1\n C C1 1 -0.00245499 0.45927467 0.87604522 1\n C C2 1 0.70455535 0.94831534 0.23093173 1\n C C3 1 0.13710400 0.41282943 1.06167609 1\n C C4 1 0.39752473 0.48369062 0.33096241 1\n C C5 1 0.25168412 0.20870477 0.67337478 1\n C C6 1 0.28308025 0.94650045 0.79409845 1\n C C7 1 0.50278665 0.51124361 0.06976868 1\n C C8 1 0.73424833 0.78054382 0.67462663 1\n C C9 1 0.92714195 0.77564023 0.82633297 1\n C C10 1 0.51853396 0.86816365 0.07247633 1\n C C11 1 0.15228895 0.05755079 0.05963637 1\n C C12 1 0.42063348 0.19675061 0.43388589 1\n C C13 1 0.94623130 0.64079857 0.45433529 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.82110000\n_cell_length_b 3.64999000\n_cell_length_c 3.44197000\n_cell_angle_alpha 50.44055000\n_cell_angle_beta 103.71926000\n_cell_angle_gamma 112.30247000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.20190009\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33343744 0.73935683 0.53263000 1\n C C1 1 0.52732378 0.52719728 0.53204005 1\n C C2 1 1.02736087 1.08622527 0.53287998 1\n C C3 1 0.02735247 0.46931146 0.52952354 1\n C C4 1 0.33342904 0.12244302 0.52927356 1\n C C5 1 0.83346612 0.68147101 0.53011349 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.77313000\n_cell_length_b 4.19829000\n_cell_length_c 5.30838000\n_cell_angle_alpha 113.55191000\n_cell_angle_beta 128.35194000\n_cell_angle_gamma 89.60318000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.85774056\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69828678 1.02168737 0.58185946 1\n C C1 1 0.36727715 0.35503293 0.24852914 1\n C C2 1 0.36755598 1.02147802 0.24859705 1\n C C3 1 0.69858969 0.68810772 0.58196941 1\n C C4 1 1.03199620 0.68828391 0.91518593 1\n C C5 1 0.03248949 0.35476866 0.91524492 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51673000\n_cell_length_b 3.51992000\n_cell_length_c 3.52013000\n_cell_angle_alpha 89.99699000\n_cell_angle_beta 90.00935000\n_cell_angle_gamma 89.98442000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.57430805\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47319069 0.04290389 0.70545565 1\n C C1 1 0.22327994 0.29290389 0.95545565 1\n C C2 1 0.72327994 0.29290389 0.45545565 1\n C C3 1 0.22327994 0.79290389 0.45545565 1\n C C4 1 -0.02680931 0.54290389 0.70545565 1\n C C5 1 0.97319069 0.04290389 0.20545565 1\n C C6 1 0.47319069 0.54290389 0.20545565 1\n C C7 1 0.72327994 0.79290389 -0.04454435 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.20139000\n_cell_length_b 4.20682000\n_cell_length_c 4.20275000\n_cell_angle_alpha 59.91837000\n_cell_angle_beta 92.65700000\n_cell_angle_gamma 66.66931000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.78419550\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11228917 0.66333877 0.70737094 1\n C C1 1 0.11052059 0.99792723 0.70620523 1\n C C2 1 1.11228917 -0.00332789 1.04070427 1\n C C3 1 0.11052059 0.66459389 0.37287189 1\n C C4 1 0.11228917 0.33000544 0.37403761 1\n C C5 1 0.11052059 0.33126056 0.03953856 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47365000\n_cell_length_b 4.28073000\n_cell_length_c 4.80370000\n_cell_angle_alpha 63.52108000\n_cell_angle_beta 75.07455000\n_cell_angle_gamma 89.98085000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60716208\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89816381 0.07623442 0.72441101 1\n C C1 1 0.39822891 0.57629553 0.72431560 1\n C C2 1 0.58571789 0.76329226 0.35008515 1\n C C3 1 0.33578471 0.18003980 0.85013293 1\n C C4 1 -0.16426298 0.67996867 0.85015661 1\n C C5 1 0.14789571 -0.00717992 0.22433219 1\n C C6 1 0.64771030 0.49274162 0.22438802 1\n C C7 1 1.08549284 0.26321971 0.35019741 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48997000\n_cell_length_b 4.82298000\n_cell_length_c 8.06087000\n_cell_angle_alpha 107.43013000\n_cell_angle_beta 89.98377000\n_cell_angle_gamma 90.00173000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.35865617\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18379984 0.64878485 0.60240400 1\n C C1 1 0.18410663 0.15529970 0.28166562 1\n C C2 1 0.18358324 0.23905118 1.11752873 1\n C C3 1 0.68335116 0.93660154 0.84194888 1\n C C4 1 0.68399989 0.59209868 0.48843179 1\n C C5 1 0.68362843 0.18430274 1.00594480 1\n C C6 1 0.68328969 0.60175576 0.84212038 1\n C C7 1 0.68352390 0.51812729 1.00620436 1\n C C8 1 0.18338790 0.16530610 0.63553401 1\n C C9 1 0.18407750 0.82029306 0.28184794 1\n C C10 1 0.68400315 0.81075648 0.38966118 1\n C C11 1 0.68402653 0.27379595 0.38952262 1\n C C12 1 0.68355794 0.10811778 0.52137224 1\n C C13 1 0.18340388 0.48320640 0.73427492 1\n C C14 1 0.18346572 0.94620624 0.73415338 1\n C C15 1 1.18347720 0.57286465 0.11777645 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33838000\n_cell_length_b 2.46794000\n_cell_length_c 6.02119000\n_cell_angle_alpha 101.01341000\n_cell_angle_beta 120.48669000\n_cell_angle_gamma 69.17548000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.95345383\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40081487 0.32438154 0.61307162 1\n C C1 1 0.86488417 0.89455369 0.21725378 1\n C C2 1 0.04363282 0.36746581 0.33977102 1\n C C3 1 0.69512353 0.74047704 0.73784128 1\n C C4 1 0.21547746 0.52244848 0.81920487 1\n C C5 1 0.50951516 0.93869713 0.94406872 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45402000\n_cell_length_b 6.07592000\n_cell_length_c 6.14627000\n_cell_angle_alpha 86.69577000\n_cell_angle_beta 76.17766000\n_cell_angle_gamma 78.35950000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.15508932\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49493266 0.41591800 0.65534293 1\n C C1 1 0.69751561 0.85042874 0.14498618 1\n C C2 1 1.03994050 0.29879643 0.32728847 1\n C C3 1 0.33948891 0.06023259 0.60990112 1\n C C4 1 0.53758467 0.66349854 0.61049865 1\n C C5 1 0.43912475 0.41865449 0.40730553 1\n C C6 1 0.95338519 1.06170650 0.45327454 1\n C C7 1 0.37645057 0.85390403 0.77899285 1\n C C8 1 0.01550983 0.29423340 0.73539611 1\n C C9 1 0.24049932 0.29002413 0.08568581 1\n C C10 1 -0.19636257 0.84830517 0.91967536 1\n C C11 1 0.11880538 0.85736869 0.28550757 1\n C C12 1 0.14606804 0.66500874 0.45499228 1\n C C13 1 0.81519064 0.28795543 -0.02212443 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46318000\n_cell_length_b 4.44818000\n_cell_length_c 6.56479000\n_cell_angle_alpha 63.75264000\n_cell_angle_beta 79.59857000\n_cell_angle_gamma 84.10692000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.43055530\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64479617 0.81958692 0.82348314 1\n C C1 1 0.17161561 0.36112406 0.75563341 1\n C C2 1 0.13898942 0.00233696 0.26807621 1\n C C3 1 0.15908749 0.02026084 0.75432218 1\n C C4 1 0.01975577 0.37567243 0.18414854 1\n C C5 1 0.56322084 0.50508498 1.04309837 1\n C C6 1 0.24544379 0.33363070 0.53295747 1\n C C7 1 0.79222984 0.46076641 0.39059231 1\n C C8 1 0.63600395 0.47982050 0.81985919 1\n C C9 1 0.67535102 0.83525039 0.30282989 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47596000\n_cell_length_b 4.18380000\n_cell_length_c 5.39451000\n_cell_angle_alpha 112.82961000\n_cell_angle_beta 117.32909000\n_cell_angle_gamma 89.99218000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.66092648\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30807499 0.34631456 0.49356840 1\n C C1 1 0.29681671 0.58989403 0.98173033 1\n C C2 1 0.65301880 0.13872752 0.33875765 1\n C C3 1 0.29737868 0.96115889 -0.01775675 1\n C C4 1 0.30844263 0.71671253 0.49395676 1\n C C5 1 0.64246198 1.01375380 0.82740292 1\n C C6 1 0.65323780 0.76911076 0.33898496 1\n C C7 1 0.64176280 0.38252901 0.82679194 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46702000\n_cell_length_b 4.92363000\n_cell_length_c 11.36685000\n_cell_angle_alpha 95.17919000\n_cell_angle_beta 89.45728000\n_cell_angle_gamma 82.72151000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 136.36737525\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.20669563 0.89095114 0.44677386 1\n C C1 1 1.07319875 0.08310251 0.96327190 1\n C C2 1 1.04447291 -0.17127620 0.03458755 1\n C C3 1 0.32195936 0.52581154 0.32402241 1\n C C4 1 0.33112511 0.34222710 0.42536250 1\n C C5 1 0.73876641 0.79627662 0.68739931 1\n C C6 1 0.87655542 0.50004028 0.62110584 1\n C C7 1 0.57433113 0.55577967 0.86893867 1\n C C8 1 1.09532705 0.35785708 0.03263964 1\n C C9 1 0.59237380 0.44296274 0.10625823 1\n C C10 1 0.35976230 0.51814859 0.54245192 1\n C C11 1 0.51707540 0.90677864 0.23623044 1\n C C12 1 0.55592503 0.28813972 0.78931963 1\n C C13 1 0.04965210 0.25952463 0.70646808 1\n C C14 1 0.54194492 -0.22518606 0.10897420 1\n C C15 1 0.57810200 1.06436873 0.87981725 1\n C C16 1 0.07645469 0.56978669 0.94663723 1\n C C17 1 0.28927782 0.83258469 0.51663726 1\n C C18 1 -0.14231307 0.16731529 0.39941058 1\n C C19 1 0.19399649 0.94935670 0.64482005 1\n C C20 1 0.63442520 0.80086515 0.81085722 1\n C C21 1 0.90926557 0.09644170 0.26378647 1\n C C22 1 0.75336822 0.70441402 0.33179217 1\n C C23 1 0.60475313 0.34996693 0.22070630 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48446000\n_cell_length_b 5.84208000\n_cell_length_c 4.08541000\n_cell_angle_alpha 52.68661000\n_cell_angle_beta 89.99161000\n_cell_angle_gamma 77.73424000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44887856\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27361670 0.41789884 0.87303281 1\n C C1 1 -0.21351366 0.38909668 0.37645419 1\n C C2 1 0.49923602 0.96173411 0.04153577 1\n C C3 1 0.84530095 0.27378726 1.13578845 1\n C C4 1 1.11560793 0.73216418 0.73901286 1\n C C5 1 0.32917585 0.30280735 0.63225916 1\n C C6 1 1.00048589 -0.04040102 0.26983156 1\n C C7 1 0.61643313 0.73002102 0.96748151 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43193000\n_cell_length_b 3.83219000\n_cell_length_c 7.85055000\n_cell_angle_alpha 85.95643000\n_cell_angle_beta 98.17529000\n_cell_angle_gamma 89.46921000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.22654132\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95562062 0.73352136 0.11385255 1\n C C1 1 0.21643695 -0.33136048 0.64752301 1\n C C2 1 0.75052663 0.53313194 0.71343004 1\n C C3 1 0.15028007 0.93342497 0.51348223 1\n C C4 1 0.35408685 0.13332571 -0.08625616 1\n C C5 1 0.55332920 0.33357441 0.31371134 1\n C C6 1 0.02115644 0.46904939 0.24801353 1\n C C7 1 0.42213428 0.86876197 0.04794450 1\n C C8 1 0.81908095 0.26848280 0.84762777 1\n C C9 1 0.61783500 1.06900394 0.44778678 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30802000\n_cell_length_b 4.21515000\n_cell_length_c 5.95558000\n_cell_angle_alpha 89.81287000\n_cell_angle_beta 81.32740000\n_cell_angle_gamma 128.93913000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.33268273\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75147973 0.09276251 0.79046262 1\n C C1 1 0.86078585 0.64304292 0.58477637 1\n C C2 1 0.86153772 0.31789360 0.58459195 1\n C C3 1 0.64457195 0.20951293 -0.00361103 1\n C C4 1 0.51517727 0.98889054 0.22209767 1\n C C5 1 0.99068824 0.22702858 0.35844861 1\n C C6 1 -0.00915637 0.86374745 0.35876616 1\n C C7 1 0.51528208 0.62555171 0.22239256 1\n C C8 1 0.64396092 0.53476305 0.99647971 1\n C C9 1 0.75330142 0.76003103 0.79048117 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51591000\n_cell_length_b 3.51783000\n_cell_length_c 6.63820000\n_cell_angle_alpha 89.99156000\n_cell_angle_beta 89.99981000\n_cell_angle_gamma 59.99391000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.09955813\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00443658 0.09353344 0.42851809 1\n C C1 1 0.69996693 0.09369076 0.09572150 1\n C C2 1 0.69996693 0.09369076 0.59572150 1\n C C3 1 0.46794098 0.55753556 0.17852474 1\n C C4 1 1.00415757 0.78992123 0.26243997 1\n C C5 1 0.46794098 0.55753556 0.67852474 1\n C C6 1 0.00415757 0.78992123 0.76243997 1\n C C7 1 0.00443658 0.09353344 0.92851809 1\n C C8 1 0.46812798 0.86163238 0.51247147 1\n C C9 1 0.77172166 0.55785377 0.84582818 1\n C C10 1 0.46812798 0.86163238 0.01247147 1\n C C11 1 0.77172166 0.55785377 0.34582818 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.25864000\n_cell_length_b 3.77058000\n_cell_length_c 5.71281000\n_cell_angle_alpha 80.03812000\n_cell_angle_beta 103.53961000\n_cell_angle_gamma 48.67971000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.86116843\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90384752 0.70795140 0.74584098 1\n C C1 1 0.60847857 0.67043122 0.73529570 1\n C C2 1 0.85664951 0.92869624 0.48468515 1\n C C3 1 0.65535168 0.45036632 0.99625991 1\n C C4 1 0.17705330 0.99536903 0.47756319 1\n C C5 1 0.53015491 0.84337833 1.12263968 1\n C C6 1 -0.01839128 0.53616943 0.35797593 1\n C C7 1 0.32005679 0.45014929 0.26402940 1\n C C8 1 0.19199936 0.92916557 0.21690371 1\n C C9 1 0.33500364 0.38386557 1.00355845 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43232000\n_cell_length_b 6.01512000\n_cell_length_c 4.20117000\n_cell_angle_alpha 70.36598000\n_cell_angle_beta 90.07808000\n_cell_angle_gamma 80.77144000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.04195919\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04724034 0.86933824 0.76739842 1\n C C1 1 1.04707563 -0.13058643 0.43468331 1\n C C2 1 0.32267878 0.37147729 0.36412343 1\n C C3 1 0.32288990 0.37142100 0.69689545 1\n C C4 1 0.54725398 -0.13064363 0.26740353 1\n C C5 1 0.54707516 0.86943683 -0.06534467 1\n C C6 1 0.82274685 0.37146825 0.86414825 1\n C C7 1 -0.17715914 0.37140165 0.19688368 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48137000\n_cell_length_b 3.68916000\n_cell_length_c 4.21641000\n_cell_angle_alpha 75.23507000\n_cell_angle_beta 90.01860000\n_cell_angle_gamma 109.63971000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99729105\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40642879 0.14967184 0.60711883 1\n C C1 1 0.08781565 0.50991247 0.90415971 1\n C C2 1 0.66579487 0.66614253 0.03518572 1\n C C3 1 -0.11296090 0.11141916 0.82927837 1\n C C4 1 0.20849815 0.75228159 0.53124800 1\n C C5 1 0.62965254 0.59497471 0.40057907 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50070000\n_cell_length_b 4.07018000\n_cell_length_c 9.50614000\n_cell_angle_alpha 94.47365000\n_cell_angle_beta 105.55483000\n_cell_angle_gamma 90.25490000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.89616103\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41175844 0.93909833 0.56214702 1\n C C1 1 0.62594540 0.43886643 0.76252889 1\n C C2 1 0.07322103 0.42033880 0.03559195 1\n C C3 1 0.19054937 0.79463064 0.03959488 1\n C C4 1 0.87553325 0.23036384 0.88420096 1\n C C5 1 0.63978318 0.27772551 0.27570034 1\n C C6 1 -0.03067511 0.78659047 0.61917910 1\n C C7 1 1.23855033 0.79428206 0.39204824 1\n C C8 1 0.44355393 0.30021596 0.59402311 1\n C C9 1 1.11076565 0.04645453 0.28037041 1\n C C10 1 0.72969283 0.57115766 0.38541466 1\n C C11 1 0.88513314 0.45700980 0.53760427 1\n C C12 1 0.63598185 0.30518377 0.11289602 1\n C C13 1 0.10897816 0.67411199 0.76995432 1\n C C14 1 0.78489297 -0.06067826 0.11655951 1\n C C15 1 0.09416716 0.92366008 0.88933551 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.89991000\n_cell_length_b 4.98698000\n_cell_length_c 4.23482000\n_cell_angle_alpha 90.22957000\n_cell_angle_beta 89.99681000\n_cell_angle_gamma 113.27854000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 75.65661483\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00638408 0.10210015 0.44471831 1\n C C1 1 0.00190156 0.09413586 0.08877763 1\n C C2 1 1.14774655 0.38956807 0.59705516 1\n C C3 1 0.07364712 0.86559584 0.61431962 1\n C C4 1 0.54809626 0.59415358 0.09278575 1\n C C5 1 0.45243571 0.62558432 0.42719933 1\n C C6 1 0.60650143 0.89845581 0.94874307 1\n C C7 1 0.07951287 0.62499380 0.42733829 1\n C C8 1 0.20202242 -0.10126801 0.94875339 1\n C C9 1 0.95255189 0.59362950 0.09274818 1\n C C10 1 0.70147958 0.86513979 0.61448049 1\n C C11 1 0.15291624 0.39850939 0.95277127 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48008000\n_cell_length_b 2.48030000\n_cell_length_c 8.54130000\n_cell_angle_alpha 81.64946000\n_cell_angle_beta 73.11665000\n_cell_angle_gamma 59.98742000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.53465428\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78767211 0.71379763 1.02696942 1\n C C1 1 0.97618805 -0.28697156 0.83755885 1\n C C2 1 0.20522814 0.38085796 0.27561452 1\n C C3 1 0.61989331 0.04656505 0.52656875 1\n C C4 1 0.70550856 0.37933591 0.77494002 1\n C C5 1 0.89040644 0.38014223 0.58915671 1\n C C6 1 -0.19102269 1.04762848 0.33820296 1\n C C7 1 0.39151919 0.38073692 0.08957998 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51871000\n_cell_length_b 4.75202000\n_cell_length_c 5.42356000\n_cell_angle_alpha 98.02185000\n_cell_angle_beta 103.58649000\n_cell_angle_gamma 74.72552000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.65975210\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.17653421 0.43667228 0.68161847 1\n C C1 1 -0.18864309 0.81495115 0.32507075 1\n C C2 1 0.24809754 0.56372272 0.95042514 1\n C C3 1 0.04666596 0.27542952 0.25723558 1\n C C4 1 0.69510193 0.74623758 1.02485461 1\n C C5 1 0.49583460 1.02780069 0.90743109 1\n C C6 1 1.01085031 0.53337850 0.44359413 1\n C C7 1 0.25761742 -0.00210213 0.39984937 1\n C C8 1 0.45870577 0.28589766 0.09359360 1\n C C9 1 0.32863967 0.12557284 0.66998217 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42603000\n_cell_length_b 4.22093000\n_cell_length_c 4.87187000\n_cell_angle_alpha 90.91849000\n_cell_angle_beta 119.84830000\n_cell_angle_gamma 90.06181000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.26263796\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99488718 0.34923799 0.80060326 1\n C C1 1 0.64495522 0.28879298 0.45181378 1\n C C2 1 0.64107380 0.20257231 -0.05306994 1\n C C3 1 -0.01146341 0.26349759 0.29560390 1\n C C4 1 0.58271671 -0.14603084 0.88730831 1\n C C5 1 1.05551919 0.69759346 0.86040660 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43027000\n_cell_length_b 6.95794000\n_cell_length_c 6.15497000\n_cell_angle_alpha 121.72862000\n_cell_angle_beta 89.04851000\n_cell_angle_gamma 100.96135000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.47431034\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59788120 0.12042198 0.84996012 1\n C C1 1 0.35131107 0.42844175 0.65835448 1\n C C2 1 0.26450861 0.45368277 0.18336811 1\n C C3 1 0.46176088 0.65016445 0.88098173 1\n C C4 1 0.37515495 0.67550767 0.40584572 1\n C C5 1 0.12846459 -0.01644775 0.21430948 1\n C C6 1 -0.06881313 0.78701090 0.51680635 1\n C C7 1 0.04186760 1.00893665 0.73906102 1\n C C8 1 0.70851751 0.34223966 0.07233740 1\n C C9 1 0.01798601 0.76178742 -0.00818441 1\n C C10 1 0.79511370 0.31686320 0.54752833 1\n C C11 1 0.68466131 1.09513931 0.32503948 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47865000\n_cell_length_b 2.47800000\n_cell_length_c 6.31221000\n_cell_angle_alpha 78.69721000\n_cell_angle_beta 78.69791000\n_cell_angle_gamma 59.98408000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.69976781\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70646271 0.67624800 0.55944917 1\n C C1 1 0.40052685 0.37082815 0.47646935 1\n C C2 1 0.93218430 -0.10311450 0.89024371 1\n C C3 1 0.84856659 0.81299250 0.14132433 1\n C C4 1 0.48625503 0.45276066 0.22549094 1\n C C5 1 0.62569632 0.59232878 0.80668509 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31571000\n_cell_length_b 3.51716000\n_cell_length_c 3.51879000\n_cell_angle_alpha 120.02567000\n_cell_angle_beta 90.00103000\n_cell_angle_gamma 89.99787000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.52877623\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39737576 0.13295403 0.03057324 1\n C C1 1 0.06346605 0.43750266 0.03032109 1\n C C2 1 0.56343925 0.36477822 0.49409303 1\n C C3 1 0.72940630 0.13334439 0.72607414 1\n C C4 1 0.89722800 0.66958143 0.49393859 1\n C C5 1 0.22937664 0.66942367 0.79882401 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.13969000\n_cell_length_b 5.62493000\n_cell_length_c 6.42371000\n_cell_angle_alpha 61.19555000\n_cell_angle_beta 80.59433000\n_cell_angle_gamma 89.10153000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 97.81165439\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22093032 0.76930763 -0.02413686 1\n C C1 1 0.27984157 0.86232459 0.35758447 1\n C C2 1 0.40436093 0.01602350 0.92416746 1\n C C3 1 0.61657286 0.19939258 0.68293251 1\n C C4 1 0.35341726 0.70014477 0.78653431 1\n C C5 1 0.43538497 0.06300942 0.11856820 1\n C C6 1 0.37523813 0.90981517 0.53855239 1\n C C7 1 0.59152895 0.15013602 0.48903827 1\n C C8 1 -0.20096303 0.44529498 0.63300808 1\n C C9 1 0.66459057 0.51274312 0.82353924 1\n C C10 1 0.65106542 0.30312558 0.07000007 1\n C C11 1 1.02650838 0.62910386 0.40133126 1\n C C12 1 0.99745513 0.58434419 0.20737373 1\n C C13 1 -0.25377257 0.35108738 0.25034546 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48210000\n_cell_length_b 3.66821000\n_cell_length_c 5.56945000\n_cell_angle_alpha 109.22132000\n_cell_angle_beta 102.88448000\n_cell_angle_gamma 90.01268000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.52707525\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06535961 0.35539786 0.37887743 1\n C C1 1 0.56536671 0.59368292 0.37895910 1\n C C2 1 0.18999202 0.21366919 0.62070201 1\n C C3 1 0.29922849 0.58710890 0.84520559 1\n C C4 1 -0.04442767 -0.01859953 0.15448910 1\n C C5 1 0.79914421 0.82548423 0.84483694 1\n C C6 1 0.69002672 0.97485379 0.62060905 1\n C C7 1 0.45574791 0.74374903 0.15488507 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43196000\n_cell_length_b 6.13274000\n_cell_length_c 8.45384000\n_cell_angle_alpha 73.18584000\n_cell_angle_beta 81.68578000\n_cell_angle_gamma 89.94244000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 119.31556765\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77249474 1.17377456 0.54087912 1\n C C1 1 0.13341378 0.06468817 0.81582079 1\n C C2 1 0.03788846 -0.06500331 1.00055008 1\n C C3 1 0.58803859 0.65367162 0.90584754 1\n C C4 1 0.65655298 0.58258531 0.77111916 1\n C C5 1 0.67848609 0.09725074 0.72886237 1\n C C6 1 -0.03818144 0.29308981 1.14271716 1\n C C7 1 0.39350402 0.77935104 0.28248730 1\n C C8 1 1.19411895 0.54734595 0.69801003 1\n C C9 1 0.26364336 0.48932360 0.55779122 1\n C C10 1 0.33071506 0.91352951 0.40922399 1\n C C11 1 0.88621956 0.61850958 0.29912032 1\n C C12 1 -0.04249733 0.52223426 1.15900230 1\n C C13 1 0.80918573 0.99618273 0.45263871 1\n C C14 1 0.48712865 -0.03480948 1.09805515 1\n C C15 1 0.80245593 0.44055475 0.47784487 1\n C C16 1 0.47264104 0.19496035 1.12097746 1\n C C17 1 0.04473993 0.68992014 0.99048232 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28450000\n_cell_length_b 3.25115000\n_cell_length_c 4.22871000\n_cell_angle_alpha 123.75678000\n_cell_angle_beta 95.44122000\n_cell_angle_gamma 99.06992000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.14664457\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05623363 0.57065701 0.88498072 1\n C C1 1 0.84366093 1.02074950 0.12232965 1\n C C2 1 0.41719392 0.93190282 0.88549246 1\n C C3 1 0.78914198 0.13421328 0.50362226 1\n C C4 1 0.47130116 0.81908483 0.50432713 1\n C C5 1 0.20532839 0.38228986 0.12301079 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43156000\n_cell_length_b 3.11766000\n_cell_length_c 6.18613000\n_cell_angle_alpha 100.04183000\n_cell_angle_beta 91.28364000\n_cell_angle_gamma 110.40111000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.10464674\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22997819 0.80605002 0.94212286 1\n C C1 1 0.56305087 0.47205531 0.60888121 1\n C C2 1 0.45343336 0.25234194 0.38626237 1\n C C3 1 -0.21300473 -0.08043452 0.05286105 1\n C C4 1 0.89661278 1.13927885 0.27547989 1\n C C5 1 0.12006796 0.58557077 0.71961940 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26857000\n_cell_length_b 3.69002000\n_cell_length_c 5.17447000\n_cell_angle_alpha 101.46547000\n_cell_angle_beta 108.29831000\n_cell_angle_gamma 116.45407000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.65788047\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17612772 0.11338948 0.15134517 1\n C C1 1 0.80623128 0.61392889 0.65168618 1\n C C2 1 0.98235749 0.35404286 0.52363992 1\n C C3 1 0.49282525 -0.08072244 0.28692254 1\n C C4 1 0.61189872 0.85420316 1.02296170 1\n C C5 1 0.43004159 0.41959587 0.78635367 1\n C C6 1 0.35789463 0.54741316 0.38776111 1\n C C7 1 0.29592342 1.04859853 0.88850040 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.86172000\n_cell_length_b 4.42341000\n_cell_length_c 4.56063000\n_cell_angle_alpha 90.80934000\n_cell_angle_beta 69.91086000\n_cell_angle_gamma 89.40770000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.14791748\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08805879 0.71204190 0.35692590 1\n C C1 1 0.83558491 0.45637521 0.81609923 1\n C C2 1 0.48356204 0.09441308 0.56708768 1\n C C3 1 0.86551959 0.47835264 0.32375527 1\n C C4 1 0.71188390 0.32440647 0.59796712 1\n C C5 1 0.73605085 0.34967112 0.10733371 1\n C C6 1 0.27781045 0.89739136 0.80315632 1\n C C7 1 1.07649323 0.70021008 0.67947324 1\n C C8 1 0.29376035 0.90840504 0.12127572 1\n C C9 1 0.49551561 0.10545829 0.24451962 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51410000\n_cell_length_b 4.67740000\n_cell_length_c 5.70643000\n_cell_angle_alpha 81.01882000\n_cell_angle_beta 61.95164000\n_cell_angle_gamma 77.10604000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.62754660\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54232786 0.16058250 0.60358022 1\n C C1 1 0.01046568 0.74298841 0.34562327 1\n C C2 1 0.42749150 0.90473022 0.79539571 1\n C C3 1 0.40162580 0.20788914 0.10833208 1\n C C4 1 0.68337687 0.67917503 0.17903032 1\n C C5 1 0.92022698 0.39130127 0.03417068 1\n C C6 1 0.73397624 0.62701923 0.63927371 1\n C C7 1 0.23120925 0.44930552 0.72085598 1\n C C8 1 0.98028243 0.07217353 0.36904403 1\n C C9 1 0.74585570 0.92440784 0.96319190 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.78833000\n_cell_length_b 4.78703000\n_cell_length_c 4.64308000\n_cell_angle_alpha 103.57012000\n_cell_angle_beta 103.58106000\n_cell_angle_gamma 62.49049000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.76740826\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95340337 1.07809426 1.03372355 1\n C C1 1 0.47213198 0.11470122 0.74336994 1\n C C2 1 0.43443994 0.59757206 0.03342788 1\n C C3 1 0.47037936 0.11330542 0.09896155 1\n C C4 1 -0.02939299 0.61325223 0.59921243 1\n C C5 1 0.45364218 0.57790818 0.53342230 1\n C C6 1 0.33639227 0.46078463 0.22525860 1\n C C7 1 0.97199721 0.61486733 0.24356470 1\n C C8 1 0.31717074 0.47985177 0.72546766 1\n C C9 1 0.30077182 -0.05572212 0.16000856 1\n C C10 1 0.93454920 0.09750697 0.53373055 1\n C C11 1 0.81693250 -0.01999716 0.22573677 1\n C C12 1 0.29949148 -0.05750585 0.51574307 1\n C C13 1 0.80098756 0.44421594 0.66021852 1\n C C14 1 0.79937432 0.44264422 0.01590442 1\n C C15 1 0.83653746 0.96071880 0.72557409 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47887000\n_cell_length_b 7.06725000\n_cell_length_c 4.81347000\n_cell_angle_alpha 57.77103000\n_cell_angle_beta 59.00671000\n_cell_angle_gamma 69.45913000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.81000354\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02736020 0.79709361 0.03710527 1\n C C1 1 0.33009655 0.87894429 0.15239450 1\n C C2 1 0.36366528 0.84515546 0.65316469 1\n C C3 1 0.27463383 0.53101282 0.55469326 1\n C C4 1 0.35647864 0.27098082 0.73365910 1\n C C5 1 0.12094280 0.11380613 1.12647705 1\n C C6 1 0.40449738 0.10635349 0.35023264 1\n C C7 1 0.98214056 0.54235438 0.33527471 1\n C C8 1 1.04645178 0.75303039 0.56208547 1\n C C9 1 1.07582217 0.26738011 0.51742731 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43705000\n_cell_length_b 5.78031000\n_cell_length_c 6.48712000\n_cell_angle_alpha 98.74350000\n_cell_angle_beta 79.31800000\n_cell_angle_gamma 101.86525000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.26262256\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.26559807 0.29465714 0.10982744 1\n C C1 1 0.32650728 0.64641411 0.28081105 1\n C C2 1 0.79662260 0.20301648 0.89483409 1\n C C3 1 1.02682641 0.70827926 0.95209361 1\n C C4 1 0.23723157 0.38622342 0.19583737 1\n C C5 1 0.39328698 0.08156686 0.57078699 1\n C C6 1 0.33898486 0.17848048 0.78430898 1\n C C7 1 0.88920085 0.98828267 0.48588139 1\n C C8 1 0.67522184 0.67169091 0.62091805 1\n C C9 1 0.47202502 0.70998730 0.06048459 1\n C C10 1 0.80826288 0.72898852 0.39895638 1\n C C11 1 0.12288028 0.67604645 0.73003905 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49074000\n_cell_length_b 4.35719000\n_cell_length_c 5.91481000\n_cell_angle_alpha 37.14977000\n_cell_angle_beta 65.05170000\n_cell_angle_gamma 73.36023000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00195257\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.16272425 0.99881426 0.73435246 1\n C C1 1 0.97565575 0.37481159 0.73426039 1\n C C2 1 0.79279567 0.25824560 0.47488566 1\n C C3 1 0.60641428 0.63423741 0.47459705 1\n C C4 1 0.08177118 0.42270889 0.10454163 1\n C C5 1 0.68872118 0.21070395 0.10438201 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43234000\n_cell_length_b 3.97509000\n_cell_length_c 4.65894000\n_cell_angle_alpha 95.84068000\n_cell_angle_beta 74.22158000\n_cell_angle_gamma 89.57758000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.09496199\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37129543 0.84837464 0.96409148 1\n C C1 1 0.14912843 0.40509027 0.40935768 1\n C C2 1 0.48294629 1.06977247 0.74113541 1\n C C3 1 0.03748898 0.18268891 0.63158880 1\n C C4 1 0.70359628 0.51826032 0.29970823 1\n C C5 1 0.81689059 0.73502888 0.07367999 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47972000\n_cell_length_b 2.48003000\n_cell_length_c 8.29933000\n_cell_angle_alpha 98.56609000\n_cell_angle_beta 98.58343000\n_cell_angle_gamma 59.96952000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.52792990\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35406588 0.86342702 0.33799190 1\n C C1 1 0.18465640 0.69471379 0.83498190 1\n C C2 1 0.83016496 0.34075953 0.77206796 1\n C C3 1 0.93568738 0.44602142 0.08674855 1\n C C4 1 0.24737967 0.75887367 0.02351238 1\n C C5 1 -0.23032788 0.27927552 0.58622333 1\n C C6 1 0.41553756 -0.07405528 0.52395799 1\n C C7 1 0.99962833 0.50999453 0.27546180 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46809000\n_cell_length_b 3.37750000\n_cell_length_c 5.23329000\n_cell_angle_alpha 89.64026000\n_cell_angle_beta 89.97398000\n_cell_angle_gamma 68.60166000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.61649044\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42417662 0.43802398 0.77190823 1\n C C1 1 0.98106963 0.31603484 0.37270009 1\n C C2 1 0.56924617 0.13925735 0.24775666 1\n C C3 1 0.38180528 0.51649883 0.04626810 1\n C C4 1 0.79298379 0.69388468 0.17114042 1\n C C5 1 -0.05241140 0.39057882 0.64744560 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.82431000\n_cell_length_b 4.04038000\n_cell_length_c 4.82290000\n_cell_angle_alpha 115.15564000\n_cell_angle_beta 82.89223000\n_cell_angle_gamma 119.08228000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.29547619\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86360047 0.77421521 0.98269756 1\n C C1 1 0.70829754 0.62127029 0.67315828 1\n C C2 1 0.65111720 0.56051039 0.17319095 1\n C C3 1 0.30170017 0.21620966 0.48240066 1\n C C4 1 0.27112404 0.17899143 0.17344165 1\n C C5 1 -0.07960761 0.83488542 0.48260960 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43730000\n_cell_length_b 4.23166000\n_cell_length_c 6.52648000\n_cell_angle_alpha 95.44349000\n_cell_angle_beta 100.75904000\n_cell_angle_gamma 90.00118000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.82062712\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80289609 0.78298403 0.34028263 1\n C C1 1 0.51040217 0.69304585 0.73064263 1\n C C2 1 0.29726006 0.62389646 0.32735471 1\n C C3 1 0.96769230 0.18630279 0.65066274 1\n C C4 1 0.63129620 0.14178436 -0.02281754 1\n C C5 1 0.84088464 0.13066725 0.40495488 1\n C C6 1 0.51686526 0.04685777 0.74655396 1\n C C7 1 0.18237321 0.17980113 0.07986352 1\n C C8 1 0.29314540 0.27095383 0.31015220 1\n C C9 1 0.00312108 0.53363513 0.71516257 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47790000\n_cell_length_b 2.47776000\n_cell_length_c 6.31149000\n_cell_angle_alpha 90.04977000\n_cell_angle_beta 101.26844000\n_cell_angle_gamma 120.00049000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68922780\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04154300 0.93749734 1.05237267 1\n C C1 1 0.12842542 0.02248491 0.30340593 1\n C C2 1 0.85096131 0.38387321 0.38775620 1\n C C3 1 0.40394162 0.15980911 0.72226313 1\n C C4 1 1.01583307 0.46577527 0.63889811 1\n C C5 1 0.56840498 0.24227286 0.96924886 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.62174000\n_cell_length_b 4.68738000\n_cell_length_c 3.66374000\n_cell_angle_alpha 66.76196000\n_cell_angle_beta 89.26407000\n_cell_angle_gamma 73.45480000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.40452266\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11112540 0.39651776 0.00863248 1\n C C1 1 0.99668822 0.62846694 0.58011936 1\n C C2 1 0.38824330 0.84145486 0.47325276 1\n C C3 1 0.27293641 0.07267970 0.67032859 1\n C C4 1 0.11273782 0.39688818 0.38303223 1\n C C5 1 0.27513305 0.07276326 1.04479267 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.73723000\n_cell_length_b 3.62087000\n_cell_length_c 4.80474000\n_cell_angle_alpha 67.90303000\n_cell_angle_beta 88.77734000\n_cell_angle_gamma 88.88499000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.10931531\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78284555 0.40845722 0.72141219 1\n C C1 1 0.78220096 0.96821156 0.22087091 1\n C C2 1 0.78280371 0.56381529 0.41147194 1\n C C3 1 -0.21655170 0.00406095 0.91201322 1\n C C4 1 0.78340884 0.62250336 0.91212729 1\n C C5 1 0.78224042 0.34976914 0.22075684 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26573000\n_cell_length_b 3.68095000\n_cell_length_c 4.70714000\n_cell_angle_alpha 104.78584000\n_cell_angle_beta 90.00195000\n_cell_angle_gamma 63.81693000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.68185214\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73687690 0.90851944 0.68357451 1\n C C1 1 0.92108188 0.10646238 -0.05365877 1\n C C2 1 0.17357337 0.90939357 0.18343470 1\n C C3 1 -0.02564752 0.43522497 0.58159123 1\n C C4 1 0.22667985 0.23771362 0.81794381 1\n C C5 1 0.79199040 0.10584361 0.44602218 1\n C C6 1 0.35545412 0.23857108 0.31823179 1\n C C7 1 0.41115860 0.43606623 0.08139555 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48786000\n_cell_length_b 4.46742000\n_cell_length_c 9.29071000\n_cell_angle_alpha 116.43003000\n_cell_angle_beta 97.71485000\n_cell_angle_gamma 73.80893000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 88.79334922\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49906245 0.69968173 0.24398250 1\n C C1 1 0.22876846 0.35785362 0.36418878 1\n C C2 1 0.47891984 0.38164425 0.89233556 1\n C C3 1 0.05031716 0.97548190 0.62974296 1\n C C4 1 0.56494458 0.05200679 0.73693921 1\n C C5 1 0.41092774 1.02974061 0.39945307 1\n C C6 1 0.76550042 0.03868569 0.11582350 1\n C C7 1 0.29888034 0.71290948 0.86284265 1\n C C8 1 0.74821413 0.72395666 0.77218325 1\n C C9 1 1.03159368 0.37580829 0.98835712 1\n C C10 1 -0.07322412 1.10587160 0.50661336 1\n C C11 1 0.94868220 0.70489554 0.14772844 1\n C C12 1 0.67922847 0.36856166 0.27349656 1\n C C13 1 0.19884414 0.59514490 0.53969686 1\n C C14 1 1.21488405 0.04236784 1.02063558 1\n C C15 1 0.78209235 0.48609794 0.59680372 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47800000\n_cell_length_b 2.47809000\n_cell_length_c 6.31094000\n_cell_angle_alpha 90.00485000\n_cell_angle_beta 101.32631000\n_cell_angle_gamma 59.95670000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67256129\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55479619 0.78741740 0.75669686 1\n C C1 1 0.10944171 1.00823569 0.08702520 1\n C C2 1 0.49824913 0.31277959 0.17060328 1\n C C3 1 0.38650478 0.86890742 0.50567505 1\n C C4 1 0.66401511 0.22930298 0.42161131 1\n C C5 1 0.94398988 0.09285212 0.83968010 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48095000\n_cell_length_b 5.23590000\n_cell_length_c 6.00412000\n_cell_angle_alpha 52.04978000\n_cell_angle_beta 79.90833000\n_cell_angle_gamma 70.27591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.83816413\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62294033 0.35841918 0.51603934 1\n C C1 1 0.27820121 0.04916187 0.17099407 1\n C C2 1 0.73379516 0.70344195 0.64788747 1\n C C3 1 -0.00653290 0.51923368 0.52403462 1\n C C4 1 0.59928861 0.48805294 0.20045306 1\n C C5 1 0.38085635 0.91945246 -0.01526972 1\n C C6 1 0.15433807 0.70378876 0.78430773 1\n C C7 1 0.88432347 0.99556409 0.80293241 1\n C C8 1 0.17921695 0.41207773 0.09484691 1\n C C9 1 0.80868875 0.88856534 0.33998391 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44966000\n_cell_length_b 3.36700000\n_cell_length_c 7.71094000\n_cell_angle_alpha 105.12973000\n_cell_angle_beta 89.96518000\n_cell_angle_gamma 111.30655000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.88411265\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22227342 0.37192599 0.14794671 1\n C C1 1 0.53150184 0.99144361 0.48466228 1\n C C2 1 0.70658724 0.33966755 0.86058071 1\n C C3 1 1.07397574 0.07587870 0.57641360 1\n C C4 1 0.16260760 0.25409623 0.76852907 1\n C C5 1 0.77739591 0.48085535 0.05690079 1\n C C6 1 0.01786814 -0.03895684 0.19695415 1\n C C7 1 0.46295250 0.85230681 0.28834178 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46625000\n_cell_length_b 3.36510000\n_cell_length_c 6.15695000\n_cell_angle_alpha 121.91974000\n_cell_angle_beta 101.25036000\n_cell_angle_gamma 68.86371000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.45271463\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02147488 0.02950981 0.72159654 1\n C C1 1 0.49558011 0.20543431 0.84548269 1\n C C2 1 0.64331903 0.37931436 0.32216525 1\n C C3 1 0.05689948 0.67877304 0.44728400 1\n C C4 1 0.86852163 0.85760595 0.24440883 1\n C C5 1 0.45540876 0.55787263 0.11938239 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56143000\n_cell_length_b 7.06213000\n_cell_length_c 6.95548000\n_cell_angle_alpha 85.70847000\n_cell_angle_beta 79.09765000\n_cell_angle_gamma 89.88659000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 123.19190025\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31937573 0.60907989 0.97813421 1\n C C1 1 0.64415409 0.35463074 0.33771304 1\n C C2 1 0.20462863 0.30344694 0.21970967 1\n C C3 1 0.92924220 1.00906267 0.75779703 1\n C C4 1 0.49893746 0.54085773 0.62134359 1\n C C5 1 0.10990618 1.00259729 0.40697053 1\n C C6 1 0.25165650 0.75485693 0.11779236 1\n C C7 1 0.36809848 0.27974784 0.87607643 1\n C C8 1 0.29938919 0.40797404 0.02255182 1\n C C9 1 0.20636404 1.08453742 0.21786561 1\n C C10 1 0.02979465 0.12430472 0.56277431 1\n C C11 1 0.27470969 0.95587520 0.07159193 1\n C C12 1 0.61459089 0.56034959 0.39734968 1\n C C13 1 1.14634717 0.67668687 0.33391920 1\n C C14 1 1.07541010 0.82320061 0.47417812 1\n C C15 1 0.54442864 0.23901298 0.53265460 1\n C C16 1 0.42800540 0.68704794 0.76194533 1\n C C17 1 0.46347659 0.36149950 0.68721813 1\n C C18 1 0.95981672 0.80360875 0.69860783 1\n C C19 1 0.36957396 1.06066494 0.87465126 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48076000\n_cell_length_b 3.68809000\n_cell_length_c 4.83733000\n_cell_angle_alpha 122.53802000\n_cell_angle_beta 104.81519000\n_cell_angle_gamma 70.34652000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98113949\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58460629 0.10144486 0.47767113 1\n C C1 1 0.80536981 -0.13756867 0.68431065 1\n C C2 1 0.32495405 0.04438837 0.90587042 1\n C C3 1 0.54889759 0.80526711 0.11264722 1\n C C4 1 0.00631959 0.38906575 0.60854538 1\n C C5 1 0.12740157 0.51786838 0.98197640 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.62273000\n_cell_length_b 4.79629000\n_cell_length_c 5.21705000\n_cell_angle_alpha 105.88038000\n_cell_angle_beta 123.56063000\n_cell_angle_gamma 90.18076000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.97405230\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62241101 0.10745750 0.05954204 1\n C C1 1 0.57260256 0.37477042 0.27407382 1\n C C2 1 0.04682158 0.63284415 0.15581116 1\n C C3 1 0.32456229 0.59323846 0.76885258 1\n C C4 1 0.70859251 0.32379514 0.58276899 1\n C C5 1 0.23662875 -0.09341597 0.19308527 1\n C C6 1 0.17911182 0.35825704 0.07374426 1\n C C7 1 -0.03257568 1.07720046 1.02431846 1\n C C8 1 0.72272102 0.85146766 0.68136516 1\n C C9 1 1.09832961 0.73444844 0.49833269 1\n C C10 1 0.48952421 0.83260651 0.10076212 1\n C C11 1 0.29681892 0.06810479 0.69723728 1\n C C12 1 0.73468958 0.70250773 0.38799847 1\n C C13 1 1.11101912 0.32231004 0.74684014 1\n C C14 1 0.67614639 0.58785446 0.79651335 1\n C C15 1 0.48235380 0.05929418 0.53986599 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.10934000\n_cell_length_b 4.85559000\n_cell_length_c 6.76111000\n_cell_angle_alpha 77.86264000\n_cell_angle_beta 59.16708000\n_cell_angle_gamma 88.09563000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.35236135\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52389245 0.31289975 0.64166978 1\n C C1 1 0.97059091 0.36822871 0.41993568 1\n C C2 1 0.19032596 0.64627235 0.30819289 1\n C C3 1 0.30425645 0.03484055 0.75347934 1\n C C4 1 0.85742793 -0.02045023 0.97510942 1\n C C5 1 -0.14270686 0.47956211 -0.02495259 1\n C C6 1 0.63746517 0.20154831 0.08669649 1\n C C7 1 0.63746210 0.70154896 0.08670534 1\n C C8 1 0.97065750 0.86822038 0.41997026 1\n C C9 1 0.52398438 0.81289225 0.64171710 1\n C C10 1 0.19036077 0.14626386 0.30820578 1\n C C11 1 0.30419085 0.53483909 0.75345602 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48864000\n_cell_length_b 5.92527000\n_cell_length_c 4.53431000\n_cell_angle_alpha 102.80248000\n_cell_angle_beta 105.93736000\n_cell_angle_gamma 102.24374000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.97958567\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87621725 0.27181814 0.41118905 1\n C C1 1 1.16472719 0.90573348 0.35391168 1\n C C2 1 0.22890455 0.68353288 0.70613778 1\n C C3 1 1.01841887 0.08517914 0.87806449 1\n C C4 1 0.29506455 0.56430877 -0.04528964 1\n C C5 1 0.94248540 0.64589647 0.16690046 1\n C C6 1 0.00557636 0.52542556 0.41443065 1\n C C7 1 0.07096643 0.30436926 0.76857541 1\n C C8 1 0.36098737 0.93799415 0.71095181 1\n C C9 1 0.21827623 0.12401295 0.24401431 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43210000\n_cell_length_b 4.60968000\n_cell_length_c 4.03724000\n_cell_angle_alpha 95.74584000\n_cell_angle_beta 89.84511000\n_cell_angle_gamma 74.33130000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34048379\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47990010 0.50689739 1.05614800 1\n C C1 1 0.36895384 0.72784559 -0.16712553 1\n C C2 1 0.14753873 0.17122360 0.38618955 1\n C C3 1 0.81365537 0.83883435 0.72093482 1\n C C4 1 0.70252380 1.06063151 0.49894518 1\n C C5 1 1.03514087 0.39582825 0.16831038 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47991000\n_cell_length_b 3.68818000\n_cell_length_c 4.22138000\n_cell_angle_alpha 74.93385000\n_cell_angle_beta 89.94705000\n_cell_angle_gamma 109.71286000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.93097160\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62642427 0.75895082 0.26622246 1\n C C1 1 0.17378566 -0.15008593 0.76123250 1\n C C2 1 0.85158219 0.20537840 0.05929326 1\n C C3 1 0.37226331 0.24655140 0.83752085 1\n C C4 1 0.04792664 0.60214757 0.13568872 1\n C C5 1 0.59540523 0.69287065 0.63078491 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43922000\n_cell_length_b 4.23208000\n_cell_length_c 6.52398000\n_cell_angle_alpha 90.29187000\n_cell_angle_beta 79.27847000\n_cell_angle_gamma 90.00631000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.17031730\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03273784 0.62017495 0.72899475 1\n C C1 1 0.56763444 0.11553334 0.64853722 1\n C C2 1 0.35117761 0.22688700 0.07722603 1\n C C3 1 0.23095917 0.26647412 0.30794374 1\n C C4 1 0.21826935 0.61613469 0.32440269 1\n C C5 1 0.68629013 1.11291282 0.40036732 1\n C C6 1 0.71451023 0.77371134 0.33465624 1\n C C7 1 1.02226148 0.26982301 0.74211015 1\n C C8 1 0.53859375 0.77709638 0.71488857 1\n C C9 1 -0.09793510 0.22795827 0.97336429 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25937000\n_cell_length_b 6.43405000\n_cell_length_c 4.07133000\n_cell_angle_alpha 117.86052000\n_cell_angle_beta 104.34228000\n_cell_angle_gamma 108.38618000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.18855738\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33512707 0.69442811 0.02716666 1\n C C1 1 0.59255258 0.56163271 0.49335842 1\n C C2 1 0.02857946 0.79578217 0.88414871 1\n C C3 1 0.80247770 -0.06850954 0.11653157 1\n C C4 1 0.81860569 0.42604831 0.26091866 1\n C C5 1 1.41293793 0.92468896 0.78259957 1\n C C6 1 1.20812469 0.43268022 0.59476559 1\n C C7 1 0.28638083 0.66312992 0.35041827 1\n C C8 1 0.15306923 0.18176228 0.54809981 1\n C C9 1 0.46751442 0.17566168 0.82950194 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48645000\n_cell_length_b 6.24138000\n_cell_length_c 7.46830000\n_cell_angle_alpha 127.06483000\n_cell_angle_beta 119.99697000\n_cell_angle_gamma 66.48161000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.29006022\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05618225 0.15971138 0.75125635 1\n C C1 1 0.64516532 0.50081323 1.11363531 1\n C C2 1 0.53690572 0.82820536 0.25905293 1\n C C3 1 0.63148184 0.56795414 0.81527416 1\n C C4 1 0.14545943 -0.01389302 0.10377030 1\n C C5 1 0.24034586 0.16861298 0.62175044 1\n C C6 1 0.18788304 -0.10093656 0.40682430 1\n C C7 1 0.16646255 0.88666301 0.71808808 1\n C C8 1 0.55168201 0.76048597 0.55735344 1\n C C9 1 1.01735939 0.44161275 0.65470027 1\n C C10 1 0.52066450 0.87289130 0.94469048 1\n C C11 1 0.66294021 0.45576168 0.42799408 1\n C C12 1 0.03713135 0.34282135 0.26884110 1\n C C13 1 0.99486895 0.42956762 0.96576845 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.82948000\n_cell_length_b 3.57453000\n_cell_length_c 3.62754000\n_cell_angle_alpha 88.22849000\n_cell_angle_beta 112.04849000\n_cell_angle_gamma 127.67926000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.22318942\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.15008277 0.38246641 -0.08673857 1\n C C1 1 1.03996619 0.37909917 0.69805791 1\n C C2 1 0.54052109 0.38074479 0.63908656 1\n C C3 1 0.35046402 0.38414447 0.85424056 1\n C C4 1 0.85037079 0.38228509 0.29361121 1\n C C5 1 0.54013408 0.38117708 0.25874194 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.84488000\n_cell_length_b 4.35036000\n_cell_length_c 5.30622000\n_cell_angle_alpha 78.15997000\n_cell_angle_beta 86.62023000\n_cell_angle_gamma 66.63479000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 79.71847162\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93237572 0.17275125 0.24441407 1\n C C1 1 0.30136343 0.89542391 1.23781034 1\n C C2 1 0.79065324 0.25695379 0.65497722 1\n C C3 1 0.43607663 -0.02635539 -0.05224852 1\n C C4 1 0.63538128 0.19523799 0.43752289 1\n C C5 1 0.36578314 0.51679405 0.25606737 1\n C C6 1 0.48020735 0.30646063 0.85041766 1\n C C7 1 0.49029154 0.91280807 0.48642368 1\n C C8 1 -0.00266021 0.50581316 0.26294667 1\n C C9 1 0.19146236 0.94523534 0.72109535 1\n C C10 1 0.63818722 0.39893056 0.04560661 1\n C C11 1 0.09771007 0.62091694 0.76298959 1\n C C12 1 0.80202307 0.66275867 -0.01680493 1\n C C13 1 0.85122515 0.58603173 0.54373449 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49952000\n_cell_length_b 4.84095000\n_cell_length_c 4.26033000\n_cell_angle_alpha 68.69732000\n_cell_angle_beta 90.00063000\n_cell_angle_gamma 90.02525000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.02799884\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71059872 0.38028069 0.34654531 1\n C C1 1 0.21061519 0.35394148 0.16217964 1\n C C2 1 0.71059985 0.72039688 0.30208123 1\n C C3 1 1.21056586 0.17438056 -0.06734860 1\n C C4 1 0.71063125 0.29994365 0.72795411 1\n C C5 1 0.21067590 0.84581447 0.09734414 1\n C C6 1 0.71072695 0.63968331 0.68368494 1\n C C7 1 0.21075298 0.66547345 -0.13194117 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50750000\n_cell_length_b 3.41619000\n_cell_length_c 7.61676000\n_cell_angle_alpha 124.29556000\n_cell_angle_beta 80.52344000\n_cell_angle_gamma 111.52943000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.06614422\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65583887 0.55069501 0.83239941 1\n C C1 1 0.55151968 0.73775046 0.22854261 1\n C C2 1 0.88745765 0.07459585 -0.10746759 1\n C C3 1 0.15516924 1.04920375 0.33258735 1\n C C4 1 0.49138305 0.38629746 0.99644215 1\n C C5 1 -0.00913057 0.88509704 0.49651079 1\n C C6 1 1.05198996 0.23890628 0.72847740 1\n C C7 1 0.38681851 0.57309725 0.39272409 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48103000\n_cell_length_b 5.23374000\n_cell_length_c 5.23548000\n_cell_angle_alpha 97.80447000\n_cell_angle_beta 70.29514000\n_cell_angle_gamma 70.27921000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.80997825\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.25182872 0.89510433 0.96452663 1\n C C1 1 0.15341773 0.15382410 0.40882561 1\n C C2 1 0.51622596 0.50791352 0.23322256 1\n C C3 1 1.22536764 0.69476355 0.54860060 1\n C C4 1 0.54065106 0.87595573 0.65389971 1\n C C5 1 0.51642680 0.16267970 0.57754886 1\n C C6 1 0.15258593 0.33947681 0.22529442 1\n C C7 1 0.22555532 0.47834802 0.76413670 1\n C C8 1 0.53659022 0.03129163 0.10073996 1\n C C9 1 0.54060551 0.58390590 0.94587315 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45686000\n_cell_length_b 4.45435000\n_cell_length_c 6.51067000\n_cell_angle_alpha 111.04903000\n_cell_angle_beta 89.96467000\n_cell_angle_gamma 106.08677000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 63.50296136\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95117851 0.49997486 0.15165814 1\n C C1 1 1.15780820 0.91705010 0.62302808 1\n C C2 1 0.77865192 0.15329784 0.40940844 1\n C C3 1 0.47442056 0.54847819 0.28369089 1\n C C4 1 0.33599731 0.26789608 0.36921635 1\n C C5 1 0.27394289 0.14212482 0.83253049 1\n C C6 1 0.63358370 0.86887111 0.49091716 1\n C C7 1 0.84048990 0.27498170 0.94263736 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44344000\n_cell_length_b 3.45749000\n_cell_length_c 4.23819000\n_cell_angle_alpha 90.40483000\n_cell_angle_beta 90.34981000\n_cell_angle_gamma 88.84806000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.44609210\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90624460 1.03161906 0.32152714 1\n C C1 1 0.24853724 0.37441784 0.32078956 1\n C C2 1 -0.02806529 0.65195817 0.48932734 1\n C C3 1 0.56374148 0.22444063 0.82410402 1\n C C4 1 0.31203187 0.46488807 0.98731092 1\n C C5 1 0.81561235 -0.03133643 0.98665589 1\n C C6 1 0.62997032 0.30943603 0.49013052 1\n C C7 1 1.05869104 0.71896493 0.82447851 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38490000\n_cell_length_b 2.46652000\n_cell_length_c 5.25373000\n_cell_angle_alpha 89.98446000\n_cell_angle_beta 91.10535000\n_cell_angle_gamma 68.67946000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.85219520\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64393404 0.14298611 0.36251148 1\n C C1 1 0.34638830 0.29401006 0.83738561 1\n C C2 1 0.27308870 0.32969976 0.56270189 1\n C C3 1 0.09205907 0.92018967 0.43685602 1\n C C4 1 0.38819636 0.77397598 0.96304626 1\n C C5 1 0.46281943 0.73365582 0.23796834 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54020000\n_cell_length_b 5.84376000\n_cell_length_c 5.84916000\n_cell_angle_alpha 48.93695000\n_cell_angle_beta 77.85240000\n_cell_angle_gamma 78.06896000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.72342362\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76819180 0.70921624 0.90483277 1\n C C1 1 0.63067354 0.84269424 0.03839286 1\n C C2 1 0.56152915 0.17480788 0.84294214 1\n C C3 1 -0.01656224 0.65816895 0.52511006 1\n C C4 1 0.56273945 0.64736023 0.37043139 1\n C C5 1 0.64872683 0.32197695 0.51760342 1\n C C6 1 0.98263455 0.32948901 0.85372356 1\n C C7 1 0.78643745 0.18966017 0.38516680 1\n C C8 1 0.84717940 0.39161888 0.06563396 1\n C C9 1 -0.15257962 0.87003465 0.58727964 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05558000\n_cell_length_b 4.08728000\n_cell_length_c 4.76328000\n_cell_angle_alpha 123.81404000\n_cell_angle_beta 60.42935000\n_cell_angle_gamma 109.56073000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.83888256\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.20810459 0.84106112 0.48661149 1\n C C1 1 1.12753823 0.17257324 0.48622711 1\n C C2 1 0.46087437 0.83913878 0.81946798 1\n C C3 1 0.45846553 0.17450805 0.15331349 1\n C C4 1 0.79410835 0.50602017 0.15292912 1\n C C5 1 1.12512939 0.50794251 0.82007262 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48991000\n_cell_length_b 3.86593000\n_cell_length_c 7.54255000\n_cell_angle_alpha 80.83372000\n_cell_angle_beta 70.73896000\n_cell_angle_gamma 90.02023000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.55495019\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48836317 0.77125374 0.71998105 1\n C C1 1 -0.37021507 0.02195371 0.07903220 1\n C C2 1 0.67001964 0.56700615 0.54048899 1\n C C3 1 1.16785002 0.32360357 0.54253250 1\n C C4 1 0.32171230 0.45762560 0.88736629 1\n C C5 1 0.05412338 0.83812423 0.15471232 1\n C C6 1 0.52957154 0.31357441 0.18265594 1\n C C7 1 0.82774563 0.22136270 0.88119184 1\n C C8 1 0.10493878 0.49637430 0.10728448 1\n C C9 1 0.83664193 0.87938162 0.37402343 1\n C C10 1 0.33042927 0.11564776 0.38041944 1\n C C11 1 0.99058541 0.01503410 0.71788414 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46050000\n_cell_length_b 3.67137000\n_cell_length_c 11.43697000\n_cell_angle_alpha 89.65113000\n_cell_angle_beta 89.85405000\n_cell_angle_gamma 70.45935000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 97.36249814\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00483846 0.71051885 0.84159135 1\n C C1 1 0.38003441 0.97596904 0.58305156 1\n C C2 1 0.48688096 0.74530407 0.92050038 1\n C C3 1 0.21529930 0.29005949 0.81355669 1\n C C4 1 0.67735148 0.36666743 -0.00688777 1\n C C5 1 0.27785195 0.16662647 0.94647453 1\n C C6 1 0.94461021 0.85630413 0.40216760 1\n C C7 1 -0.04930181 -0.16731611 0.27756137 1\n C C8 1 0.84140289 0.03420471 0.17859941 1\n C C9 1 0.04752753 0.61912428 0.16497443 1\n C C10 1 0.65289088 0.40972891 0.12414424 1\n C C11 1 0.81597370 0.09011393 0.76701749 1\n C C12 1 0.42782707 0.88904136 0.46033060 1\n C C13 1 0.85682677 1.02160925 0.64033753 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48763000\n_cell_length_b 4.09599000\n_cell_length_c 7.07219000\n_cell_angle_alpha 77.83600000\n_cell_angle_beta 90.00612000\n_cell_angle_gamma 90.00270000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.44284628\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10640638 0.29548288 0.82517353 1\n C C1 1 0.39337477 0.88277174 0.05114645 1\n C C2 1 0.39349269 0.68822132 0.55249639 1\n C C3 1 0.89351327 0.98149477 0.75173324 1\n C C4 1 0.39348554 0.45677882 0.41519718 1\n C C5 1 0.39365906 0.49762768 0.77194677 1\n C C6 1 0.89336706 0.10563796 1.04493136 1\n C C7 1 0.89344070 0.91115923 0.54631644 1\n C C8 1 -0.10657294 0.24206420 0.40951283 1\n C C9 1 0.89330275 0.33689265 0.18248318 1\n C C10 1 0.39351641 0.81151072 0.84634713 1\n C C11 1 0.39333707 0.55150363 0.18795440 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55555000\n_cell_length_b 6.27943000\n_cell_length_c 6.29588000\n_cell_angle_alpha 74.20937000\n_cell_angle_beta 80.26236000\n_cell_angle_gamma 103.30203000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.66845157\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46999350 0.52348727 0.44305603 1\n C C1 1 0.06294192 0.88111078 0.69714805 1\n C C2 1 0.36551499 0.13679717 0.26723475 1\n C C3 1 0.18971101 0.58053494 0.10062066 1\n C C4 1 0.70094200 0.51851301 0.99958955 1\n C C5 1 0.66584133 1.01107046 0.62800834 1\n C C6 1 0.84277214 0.18725989 0.38644840 1\n C C7 1 -0.02599386 0.44051091 0.35652723 1\n C C8 1 -0.16159619 1.00313435 -0.14418600 1\n C C9 1 0.87632129 0.61850687 0.74973777 1\n C C10 1 0.46913067 0.82936831 0.08162803 1\n C C11 1 1.21263228 0.89525144 0.27383896 1\n C C12 1 0.63140027 0.77365755 0.31121101 1\n C C13 1 1.09258307 0.24248525 0.88751959 1\n C C14 1 0.33652890 0.50106904 0.69003837 1\n C C15 1 0.55317647 0.27101447 0.01999236 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45176000\n_cell_length_b 6.37383000\n_cell_length_c 8.73534000\n_cell_angle_alpha 58.39666000\n_cell_angle_beta 71.63757000\n_cell_angle_gamma 77.71333000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 110.15116616\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46204469 0.40987344 0.43988511 1\n C C1 1 1.35466912 0.63329879 0.45466891 1\n C C2 1 0.10626590 0.38084893 0.06678209 1\n C C3 1 0.65034780 0.17088715 0.84332640 1\n C C4 1 0.56035385 0.75351449 0.65113637 1\n C C5 1 0.70969437 0.30059037 0.01704644 1\n C C6 1 0.88298746 0.78793204 0.36158084 1\n C C7 1 0.13034210 0.88656683 0.15125944 1\n C C8 1 0.13463158 0.60522505 0.65674463 1\n C C9 1 0.35667151 0.67074431 0.12080147 1\n C C10 1 0.69802320 -0.03061677 0.42982893 1\n C C11 1 0.37523238 0.89965346 0.74797174 1\n C C12 1 1.02361805 0.30054430 0.43641925 1\n C C13 1 0.79864341 0.99437437 0.76939923 1\n C C14 1 -0.06033810 0.58061538 0.09430756 1\n C C15 1 0.64688074 1.03827634 0.05812808 1\n C C16 1 1.15844616 1.11099305 0.39486000 1\n C C17 1 0.07432468 0.33557115 0.81433709 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51063000\n_cell_length_b 3.63484000\n_cell_length_c 3.79178000\n_cell_angle_alpha 111.91291000\n_cell_angle_beta 97.39857000\n_cell_angle_gamma 96.54616000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.81978144\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19500499 0.53777320 0.13065187 1\n C C1 1 0.69416743 0.09860263 0.63074195 1\n C C2 1 0.00299002 0.13283363 0.93985410 1\n C C3 1 0.69453777 0.47856854 0.63120262 1\n C C4 1 0.00247093 0.75264892 0.93915844 1\n C C5 1 0.50169726 0.69375327 0.44030212 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45857000\n_cell_length_b 7.63666000\n_cell_length_c 7.73778000\n_cell_angle_alpha 85.26745000\n_cell_angle_beta 102.10824000\n_cell_angle_gamma 94.35198000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 141.30654321\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22185298 0.66649723 0.48444746 1\n C C1 1 0.64888316 0.24937721 0.50305768 1\n C C2 1 0.12706587 0.09124608 0.12799100 1\n C C3 1 0.96488374 -0.07404462 0.99087607 1\n C C4 1 1.19513168 0.98815254 0.29924738 1\n C C5 1 0.45164358 0.31591635 0.92642080 1\n C C6 1 0.64816945 0.20376520 0.10017784 1\n C C7 1 0.96276707 0.36590199 0.24003340 1\n C C8 1 0.10507413 0.29109431 0.42323892 1\n C C9 1 0.29270347 0.58607354 0.64503267 1\n C C10 1 0.29004194 0.06651237 0.73773812 1\n C C11 1 -0.16023960 0.53684495 0.74020095 1\n C C12 1 -0.06938479 0.59008813 0.93848099 1\n C C13 1 0.44666647 0.49030342 0.99644616 1\n C C14 1 0.54533963 0.67555602 0.19687604 1\n C C15 1 0.87122022 0.32381768 0.81076569 1\n C C16 1 0.47859621 0.47287182 0.18815398 1\n C C17 1 0.68053619 0.72476998 0.39245729 1\n C C18 1 -0.00224936 0.73677641 0.08313949 1\n C C19 1 0.76917790 0.16558886 0.68514479 1\n C C20 1 0.71268676 0.91731695 0.35374960 1\n C C21 1 0.39154229 0.95783898 -0.11509613 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03468000\n_cell_length_b 3.74686000\n_cell_length_c 6.03444000\n_cell_angle_alpha 86.87776000\n_cell_angle_beta 96.96885000\n_cell_angle_gamma 40.23563000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.81975358\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50759541 0.43137372 0.40057665 1\n C C1 1 1.17248658 0.54181242 0.17930973 1\n C C2 1 0.17219188 0.87515968 0.51266622 1\n C C3 1 0.50731782 0.76474959 0.73390233 1\n C C4 1 0.17220315 0.20848551 0.84598273 1\n C C5 1 0.50767866 0.09804748 0.06720005 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46698000\n_cell_length_b 4.17193000\n_cell_length_c 8.47220000\n_cell_angle_alpha 102.11012000\n_cell_angle_beta 98.45961000\n_cell_angle_gamma 89.96908000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 84.28694145\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13784444 0.37535122 0.82956848 1\n C C1 1 0.88847170 0.92320488 0.47953499 1\n C C2 1 0.30539931 0.92099902 0.15026412 1\n C C3 1 0.88810543 0.25788090 0.47915717 1\n C C4 1 0.38792275 0.75737434 0.47849499 1\n C C5 1 0.38750564 0.42258220 0.47761388 1\n C C6 1 0.63533381 0.87335762 0.82424627 1\n C C7 1 0.13552516 0.70767752 0.82440456 1\n C C8 1 0.80733461 0.92171968 0.15266348 1\n C C9 1 0.63814686 0.21034472 0.83028626 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44447000\n_cell_length_b 5.57043000\n_cell_length_c 8.91603000\n_cell_angle_alpha 78.63846000\n_cell_angle_beta 75.56726000\n_cell_angle_gamma 90.70019000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 115.03111316\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18162908 0.99480549 0.74135062 1\n C C1 1 0.75300370 1.05391823 0.63437637 1\n C C2 1 0.68469000 0.01875326 0.28383829 1\n C C3 1 0.17439349 0.71397138 0.77736870 1\n C C4 1 0.87147122 1.12221423 0.12128219 1\n C C5 1 0.51178707 0.61606348 0.03501148 1\n C C6 1 0.27204627 0.51305863 0.36640050 1\n C C7 1 0.29322477 0.70977198 0.59360825 1\n C C8 1 -0.05070545 0.60540886 0.11650563 1\n C C9 1 1.09967922 0.96259101 0.36247384 1\n C C10 1 0.63977075 0.31013778 0.87488265 1\n C C11 1 1.19599968 0.46457717 0.54370470 1\n C C12 1 0.45499717 0.18307087 1.04425960 1\n C C13 1 0.23127910 0.23802394 0.79480642 1\n C C14 1 0.61580864 0.59732911 0.86342761 1\n C C15 1 0.87110963 0.86385037 0.53307847 1\n C C16 1 0.83412472 0.53982646 0.28425406 1\n C C17 1 0.62392055 0.32344795 0.61116965 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47531000\n_cell_length_b 4.22403000\n_cell_length_c 6.75595000\n_cell_angle_alpha 81.13694000\n_cell_angle_beta 100.63204000\n_cell_angle_gamma 90.00037000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.56767760\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39336304 0.98171080 0.81102172 1\n C C1 1 0.07221477 0.31873851 0.17446414 1\n C C2 1 0.56391132 0.12795802 0.15815006 1\n C C3 1 1.19401569 0.35571366 0.41066199 1\n C C4 1 0.73598854 0.18025986 0.49587559 1\n C C5 1 1.04470468 0.68105215 0.11626948 1\n C C6 1 0.16462736 0.71780451 0.35283941 1\n C C7 1 0.50213285 0.85652176 0.03070289 1\n C C8 1 -0.15344965 0.05470879 0.71532167 1\n C C9 1 0.67291239 0.90847295 0.36881305 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47633000\n_cell_length_b 4.25771000\n_cell_length_c 5.94105000\n_cell_angle_alpha 69.06328000\n_cell_angle_beta 77.96640000\n_cell_angle_gamma 89.97149000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.03003919\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84205564 0.68719337 0.58014921 1\n C C1 1 0.36241051 0.20693122 0.53941602 1\n C C2 1 0.39656646 0.89946348 0.46889976 1\n C C3 1 0.69965860 0.54465096 0.86499158 1\n C C4 1 0.21752074 0.06627032 0.82445121 1\n C C5 1 0.66131787 0.16664945 0.93685155 1\n C C6 1 -0.09735858 0.42124365 0.45804685 1\n C C7 1 0.15871562 0.67857587 0.94565043 1\n C C8 1 0.03240606 0.68437815 0.20206573 1\n C C9 1 0.53189348 0.89932924 0.20256647 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43850000\n_cell_length_b 5.76978000\n_cell_length_c 6.08469000\n_cell_angle_alpha 60.59810000\n_cell_angle_beta 78.41261000\n_cell_angle_gamma 77.76108000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 72.41489491\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91714049 0.04380094 0.19050388 1\n C C1 1 0.45415679 0.50384732 0.65884073 1\n C C2 1 0.53995453 0.20330317 0.78605683 1\n C C3 1 0.12078765 0.12245222 0.70539034 1\n C C4 1 0.24944202 1.01668030 0.55175558 1\n C C5 1 0.83045668 0.93532313 0.47153021 1\n C C6 1 -0.08143494 0.63489520 0.59907870 1\n C C7 1 1.45477208 0.09235273 0.06708713 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43270000\n_cell_length_b 3.01569000\n_cell_length_c 6.40307000\n_cell_angle_alpha 97.59047000\n_cell_angle_beta 79.23858000\n_cell_angle_gamma 109.20648000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.45323886\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63901952 0.08918939 0.78043366 1\n C C1 1 0.30542285 0.08882902 0.44757691 1\n C C2 1 0.74889902 0.08768033 0.55843886 1\n C C3 1 0.41587048 0.08856851 0.22557359 1\n C C4 1 0.97272521 1.08945975 0.11379161 1\n C C5 1 0.08263792 0.08896321 0.89175798 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.84774000\n_cell_length_b 4.52820000\n_cell_length_c 6.13934000\n_cell_angle_alpha 105.32082000\n_cell_angle_beta 106.84253000\n_cell_angle_gamma 111.28400000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.82819620\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33147179 0.56296372 0.24751246 1\n C C1 1 0.09315309 0.20014001 0.12326457 1\n C C2 1 -0.14258133 0.08732583 0.24831363 1\n C C3 1 0.35351942 0.15699076 0.81859304 1\n C C4 1 0.93793536 0.37670124 0.45245514 1\n C C5 1 0.74674799 0.34451861 0.61370567 1\n C C6 1 0.59173721 0.51993362 0.94304702 1\n C C7 1 0.24764508 0.68407422 0.45309560 1\n C C8 1 0.43713614 1.03664909 0.61278338 1\n C C9 1 0.09137234 -0.01234596 0.91091444 1\n C C10 1 -0.17209148 0.63317648 0.81835207 1\n C C11 1 0.59367520 0.73246618 0.15537529 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47355000\n_cell_length_b 4.28104000\n_cell_length_c 4.80312000\n_cell_angle_alpha 63.52540000\n_cell_angle_beta 104.92606000\n_cell_angle_gamma 89.99837000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60245194\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75644085 0.36551361 0.36587193 1\n C C1 1 0.69374051 0.76183450 0.23992253 1\n C C2 1 0.19374051 0.26183450 0.23992253 1\n C C3 1 -0.05640176 0.17839580 0.73993021 1\n C C4 1 0.25644085 0.86551361 0.36587193 1\n C C5 1 0.50647315 0.94864669 0.86587612 1\n C C6 1 1.00647315 0.44864669 0.86587612 1\n C C7 1 0.44359824 0.67839580 0.73993021 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27247000\n_cell_length_b 3.27471000\n_cell_length_c 3.63381000\n_cell_angle_alpha 75.45315000\n_cell_angle_beta 104.49429000\n_cell_angle_gamma 99.22067000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.29576761\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78446333 0.99370563 0.75144258 1\n C C1 1 0.41285942 0.40939871 0.13310174 1\n C C2 1 0.46811087 0.67608765 0.75136889 1\n C C3 1 0.05126197 0.04795204 0.13338392 1\n C C4 1 0.83953225 0.26221199 0.36961974 1\n C C5 1 0.20135826 0.62256938 0.36954873 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31160000\n_cell_length_b 4.69140000\n_cell_length_c 5.53681000\n_cell_angle_alpha 72.95991000\n_cell_angle_beta 65.52358000\n_cell_angle_gamma 71.32506000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.87339748\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70026467 1.00154715 0.96711071 1\n C C1 1 0.54112656 0.15070869 0.59139591 1\n C C2 1 0.19448848 0.49915998 0.22459683 1\n C C3 1 0.44604678 0.24392449 0.34953965 1\n C C4 1 0.94512572 0.75590125 0.83101264 1\n C C5 1 0.45404565 0.24630357 0.83080229 1\n C C6 1 0.93647997 0.75339268 0.35015625 1\n C C7 1 0.19932611 0.50138737 -0.04464812 1\n C C8 1 0.69149013 0.99836229 0.21324428 1\n C C9 1 0.84612645 0.84886864 0.59011435 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45721000\n_cell_length_b 3.40315000\n_cell_length_c 5.33344000\n_cell_angle_alpha 97.81678000\n_cell_angle_beta 90.01315000\n_cell_angle_gamma 68.76642000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.12742146\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25453587 0.58705705 0.39129962 1\n C C1 1 0.74550525 0.60395120 0.51825809 1\n C C2 1 0.28429123 0.52880627 0.11548236 1\n C C3 1 0.11519098 0.86677643 0.92176876 1\n C C4 1 0.88442514 0.32812706 -0.01306198 1\n C C5 1 0.71545883 0.66549670 0.79442845 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44899000\n_cell_length_b 5.85126000\n_cell_length_c 7.82777000\n_cell_angle_alpha 104.74295000\n_cell_angle_beta 71.69786000\n_cell_angle_gamma 102.08242000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 101.96107009\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40027223 0.86116051 0.22844823 1\n C C1 1 0.66307745 0.70739608 0.89174544 1\n C C2 1 0.25728976 0.85453226 0.87117338 1\n C C3 1 0.81420760 0.23530502 1.00226718 1\n C C4 1 1.04253659 0.33493233 0.82618506 1\n C C5 1 0.44263315 0.64175305 0.07950664 1\n C C6 1 0.17825111 0.73126334 0.38713841 1\n C C7 1 -0.04846423 0.22379876 0.35893077 1\n C C8 1 1.04287235 0.85046928 0.58235942 1\n C C9 1 -0.01652532 0.00470172 0.21674755 1\n C C10 1 0.83202158 0.50633649 0.12168846 1\n C C11 1 0.64581106 0.57745969 0.34182144 1\n C C12 1 0.46412949 0.87798694 0.67471714 1\n C C13 1 0.62690081 0.44571775 0.79746629 1\n C C14 1 0.21748159 0.08841779 1.02542848 1\n C C15 1 0.48067307 0.34205428 0.38820302 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48080000\n_cell_length_b 3.68742000\n_cell_length_c 4.83707000\n_cell_angle_alpha 57.48019000\n_cell_angle_beta 75.13773000\n_cell_angle_gamma 70.33911000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97554372\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78846743 0.34870747 0.64845325 1\n C C1 1 0.46507898 0.69365869 -0.05376305 1\n C C2 1 0.26870744 0.16670107 0.87018049 1\n C C3 1 1.01123594 0.10929286 0.44181457 1\n C C4 1 0.58945486 0.82172726 0.57266580 1\n C C5 1 0.04351484 0.40627024 0.07695714 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.77751000\n_cell_length_b 3.63912000\n_cell_length_c 5.05019000\n_cell_angle_alpha 68.04006000\n_cell_angle_beta 69.14372000\n_cell_angle_gamma 88.49975000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.90195334\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41381169 0.03410020 0.57829125 1\n C C1 1 0.22283896 0.62907055 0.76969616 1\n C C2 1 0.41336895 0.41536831 0.57877539 1\n C C3 1 0.71623753 0.07026761 0.27019292 1\n C C4 1 0.71668028 0.68899950 0.26970879 1\n C C5 1 0.90721026 0.47529726 0.07878801 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48220000\n_cell_length_b 5.65851000\n_cell_length_c 6.18855000\n_cell_angle_alpha 75.32888000\n_cell_angle_beta 101.59154000\n_cell_angle_gamma 89.98093000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 82.25218669\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82936190 0.12077648 0.11911391 1\n C C1 1 0.61751717 1.00141415 0.68866994 1\n C C2 1 0.36276946 0.74177399 0.18338585 1\n C C3 1 0.82711319 0.38784764 0.11494974 1\n C C4 1 0.29539589 0.54070615 1.05171252 1\n C C5 1 0.29784862 1.00701479 0.05628462 1\n C C6 1 -0.06135334 0.19079286 0.33151903 1\n C C7 1 0.48295255 0.66624556 0.42732271 1\n C C8 1 0.54645485 0.40598739 0.55078273 1\n C C9 1 0.16590264 0.60498777 0.78748794 1\n C C10 1 0.12258694 0.36677156 0.70216852 1\n C C11 1 0.17316420 1.07755244 0.80070214 1\n C C12 1 0.50311198 0.18759710 0.46055196 1\n C C13 1 0.60727743 0.74224139 0.66807730 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50448000\n_cell_length_b 4.60181000\n_cell_length_c 6.69601000\n_cell_angle_alpha 111.97350000\n_cell_angle_beta 75.78253000\n_cell_angle_gamma 102.39997000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.72367130\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01765314 0.74674551 0.99969039 1\n C C1 1 0.02206348 0.37864724 0.19369305 1\n C C2 1 0.28621023 0.31731038 0.51463829 1\n C C3 1 1.00707992 0.37879408 0.95291198 1\n C C4 1 0.43467038 0.87511200 0.14254838 1\n C C5 1 0.39713446 0.66376093 0.61138721 1\n C C6 1 0.63345794 0.82585538 0.45364905 1\n C C7 1 0.50764457 0.20608047 0.82952794 1\n C C8 1 0.68622330 0.17757789 0.58223260 1\n C C9 1 0.18602096 0.72707564 0.31460319 1\n C C10 1 0.27849807 0.85875504 0.81286243 1\n C C11 1 0.43965826 0.23157874 0.25719650 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67460000\n_cell_length_b 3.46348000\n_cell_length_c 3.89858000\n_cell_angle_alpha 101.54981000\n_cell_angle_beta 98.09181000\n_cell_angle_gamma 99.48603000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.00165206\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42740422 0.50072191 0.50812922 1\n C C1 1 0.14254105 0.03043754 0.03214133 1\n C C2 1 0.13828316 0.34319444 0.34451326 1\n C C3 1 0.90006469 0.78916963 0.78870440 1\n C C4 1 0.58868918 0.79294860 0.79586483 1\n C C5 1 0.90393608 0.47483909 0.47807441 1\n C C6 1 0.45415498 0.02524829 0.02794789 1\n C C7 1 0.61453533 0.31266420 0.31928536 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48457000\n_cell_length_b 4.67633000\n_cell_length_c 4.08655000\n_cell_angle_alpha 83.30835000\n_cell_angle_beta 89.99668000\n_cell_angle_gamma 74.62279000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44506419\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97017358 0.66817259 -0.03340456 1\n C C1 1 0.48412848 0.63904670 0.49142178 1\n C C2 1 0.75753547 0.09748544 0.43003445 1\n C C3 1 0.25877959 0.09555596 0.20487402 1\n C C4 1 0.42803884 0.75456574 0.13572744 1\n C C5 1 0.13989357 0.32647480 0.89813810 1\n C C6 1 0.91289658 0.78259300 0.61095422 1\n C C7 1 0.64084718 0.32415928 0.67265305 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63162000\n_cell_length_b 3.79194000\n_cell_length_c 3.56597000\n_cell_angle_alpha 81.76097000\n_cell_angle_beta 97.47836000\n_cell_angle_gamma 69.23004000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.56386531\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79507829 0.38770351 0.89627353 1\n C C1 1 0.44799489 0.08011550 0.20002967 1\n C C2 1 0.00811865 0.58018838 0.70083036 1\n C C3 1 0.41429453 0.38678783 0.89561069 1\n C C4 1 0.85421165 0.88657338 0.39442912 1\n C C5 1 1.06760339 0.07894210 0.19957254 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29190000\n_cell_length_b 4.23887000\n_cell_length_c 7.25815000\n_cell_angle_alpha 89.97767000\n_cell_angle_beta 74.40401000\n_cell_angle_gamma 49.77706000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.38797870\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86552103 0.19360827 0.38345009 1\n C C1 1 0.86524923 0.83049380 0.38357507 1\n C C2 1 0.20601239 0.52292909 0.50001210 1\n C C3 1 0.69644407 0.91554671 0.06545965 1\n C C4 1 0.86870677 0.34829394 0.87114398 1\n C C5 1 0.03761227 0.24459853 0.18141527 1\n C C6 1 -0.13289973 0.67359606 0.87111559 1\n C C7 1 0.03381989 0.08997280 0.69462316 1\n C C8 1 0.20614366 0.16038515 0.50000171 1\n C C9 1 1.03786327 0.60760304 0.18134160 1\n C C10 1 0.03540292 0.76459621 0.69459806 1\n C C11 1 0.69626883 0.27793439 0.06552032 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.62350000\n_cell_length_b 3.66461000\n_cell_length_c 4.66946000\n_cell_angle_alpha 67.11533000\n_cell_angle_beta 105.83210000\n_cell_angle_gamma 89.35479000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.43988927\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08463079 0.68625907 0.75018617 1\n C C1 1 0.63703538 0.77557712 0.19485358 1\n C C2 1 0.63821283 0.15045899 0.19446833 1\n C C3 1 -0.20061400 0.11410052 0.51859839 1\n C C4 1 0.80221192 0.48846382 0.51892201 1\n C C5 1 0.52183207 0.57928376 -0.03688889 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26937000\n_cell_length_b 3.62974000\n_cell_length_c 4.23596000\n_cell_angle_alpha 131.55662000\n_cell_angle_beta 95.24816000\n_cell_angle_gamma 75.51856000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22785601\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65909007 0.92995484 0.36678119 1\n C C1 1 0.80731447 0.11989125 0.79300328 1\n C C2 1 0.44718870 0.48032379 0.15418068 1\n C C3 1 0.07640851 0.68373244 0.73871720 1\n C C4 1 0.39290364 0.36660654 0.42177848 1\n C C5 1 1.02065221 0.56937413 1.00570526 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51712000\n_cell_length_b 3.51579000\n_cell_length_c 4.83442000\n_cell_angle_alpha 111.31809000\n_cell_angle_beta 111.35268000\n_cell_angle_gamma 119.99965000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.51229096\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26517964 0.83944836 0.08302855 1\n C C1 1 0.29453236 0.17268970 0.41626664 1\n C C2 1 0.89567830 0.23787533 0.24969225 1\n C C3 1 0.93209901 0.81041608 0.74976340 1\n C C4 1 0.86652590 0.20888004 -0.08368960 1\n C C5 1 0.22924099 0.87554459 0.58303936 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46057000\n_cell_length_b 8.37364000\n_cell_length_c 6.06673000\n_cell_angle_alpha 132.61515000\n_cell_angle_beta 66.02145000\n_cell_angle_gamma 116.20500000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.43464925\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62214094 0.14352736 0.86643014 1\n C C1 1 0.53997630 0.42069559 0.86501133 1\n C C2 1 0.73298579 0.98754038 0.52036612 1\n C C3 1 0.64938487 0.27967958 0.54185690 1\n C C4 1 0.86305353 0.38505073 -0.01139915 1\n C C5 1 0.45606179 0.71282695 -0.11355281 1\n C C6 1 -0.13728058 0.61147964 0.32758500 1\n C C7 1 0.32673185 0.08902605 0.07909750 1\n C C8 1 -0.43318403 0.55687597 0.54030572 1\n C C9 1 0.54821615 0.73501678 0.32718572 1\n C C10 1 0.76518991 0.65776556 -0.00512413 1\n C C11 1 0.32689862 0.31544962 0.41819158 1\n C C12 1 0.42513334 0.04272029 0.41164678 1\n C C13 1 0.64053741 -0.03461139 0.07956931 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44652000\n_cell_length_b 4.56926000\n_cell_length_c 7.66320000\n_cell_angle_alpha 123.69939000\n_cell_angle_beta 90.01681000\n_cell_angle_gamma 105.49304000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.49187535\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38051621 0.81882231 0.96831734 1\n C C1 1 0.79290905 0.64196693 -0.06631577 1\n C C2 1 0.01458470 0.07980367 0.75620892 1\n C C3 1 0.16329425 0.38263065 0.22340368 1\n C C4 1 0.37157096 0.79871871 0.41998114 1\n C C5 1 1.06489443 1.18842185 0.33515412 1\n C C6 1 0.59107864 0.23685809 0.07892618 1\n C C7 1 0.90776378 -0.12886050 0.54571052 1\n C C8 1 0.51268887 0.08129187 0.36996235 1\n C C9 1 0.60369072 0.25817711 0.88232332 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55131000\n_cell_length_b 2.46002000\n_cell_length_c 6.27702000\n_cell_angle_alpha 78.67635000\n_cell_angle_beta 102.11278000\n_cell_angle_gamma 90.20163000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 37.74018059\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26367696 0.57673127 0.12746573 1\n C C1 1 0.84771648 0.49978985 0.28745156 1\n C C2 1 0.08842656 0.25917484 0.76574766 1\n C C3 1 1.02980644 0.81787823 0.64786764 1\n C C4 1 -0.08636107 -0.06534030 0.41835364 1\n C C5 1 0.19888783 0.14268910 -0.00423512 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.55002000\n_cell_length_b 3.28584000\n_cell_length_c 6.17870000\n_cell_angle_alpha 63.27567000\n_cell_angle_beta 65.02343000\n_cell_angle_gamma 77.34363000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.31617690\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11500928 0.36077235 0.28484165 1\n C C1 1 0.67771026 0.16005311 0.41538976 1\n C C2 1 0.48369512 0.01641513 0.88376412 1\n C C3 1 0.30719317 0.50588781 0.81646395 1\n C C4 1 0.48920357 0.01060069 0.26693398 1\n C C5 1 0.13269241 0.69823462 1.02369022 1\n C C6 1 0.65865025 0.82380694 0.67658735 1\n C C7 1 0.30251973 0.51162762 0.43327645 1\n C C8 1 0.77317747 0.02558248 -0.01027378 1\n C C9 1 1.01796203 0.49569456 0.71071220 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51284000\n_cell_length_b 4.11210000\n_cell_length_c 4.19188000\n_cell_angle_alpha 119.38630000\n_cell_angle_beta 107.71879000\n_cell_angle_gamma 89.99700000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.36490006\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18590273 0.92484013 0.79983712 1\n C C1 1 0.56920454 -0.05644215 0.57542053 1\n C C2 1 0.37721853 0.59944057 0.18765883 1\n C C3 1 0.56956189 0.31296994 0.57585167 1\n C C4 1 0.18605903 0.55614089 0.80002868 1\n C C5 1 0.37734718 0.26924341 0.18786378 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48320000\n_cell_length_b 7.30715000\n_cell_length_c 8.60108000\n_cell_angle_alpha 103.81839000\n_cell_angle_beta 98.31070000\n_cell_angle_gamma 99.79769000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 146.51692959\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82979043 0.12823234 0.72391217 1\n C C1 1 0.36791261 0.96016462 0.96786191 1\n C C2 1 0.64623831 0.48402568 1.00658342 1\n C C3 1 0.24488307 0.88378166 0.80016299 1\n C C4 1 0.61207795 1.04460876 0.36993946 1\n C C5 1 0.23378428 0.42552253 0.24037450 1\n C C6 1 -0.21219951 0.70066568 0.06588134 1\n C C7 1 0.24205230 -0.00292429 0.67959052 1\n C C8 1 0.50805572 0.71521073 0.48699679 1\n C C9 1 0.27682204 0.34866906 0.39484565 1\n C C10 1 0.94509202 0.34830266 0.72994647 1\n C C11 1 0.28314423 0.76276323 0.99366756 1\n C C12 1 0.44600281 0.52922152 0.54944079 1\n C C13 1 0.05586637 0.93381802 0.36975697 1\n C C14 1 0.08937668 0.84645808 0.51935322 1\n C C15 1 1.48859754 0.17115577 0.00501518 1\n C C16 1 0.37574987 0.64542350 0.29946283 1\n C C17 1 0.14857850 0.69368144 0.79971004 1\n C C18 1 0.95799150 0.20232093 0.91083602 1\n C C19 1 0.89468149 0.73660264 0.24741379 1\n C C20 1 -0.00848594 0.51690755 0.65493441 1\n C C21 1 1.05882054 0.40585019 0.91041013 1\n C C22 1 0.71640785 0.23400592 0.38966378 1\n C C23 1 0.65279333 0.36722789 0.13772235 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42548000\n_cell_length_b 4.15636000\n_cell_length_c 6.33338000\n_cell_angle_alpha 69.15136000\n_cell_angle_beta 79.05173000\n_cell_angle_gamma 90.08068000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.41545837\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62839545 0.42378545 0.61387632 1\n C C1 1 0.82443191 0.02432756 0.21983720 1\n C C2 1 0.27635293 0.87999770 0.31908952 1\n C C3 1 -0.03729955 0.63758580 0.93230264 1\n C C4 1 0.17818475 0.56828001 0.51445147 1\n C C5 1 0.50323022 0.18286710 0.85874563 1\n C C6 1 0.94601578 0.26478885 0.97498801 1\n C C7 1 0.47641721 0.80927144 0.90273641 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.97585000\n_cell_length_b 4.45131000\n_cell_length_c 4.52793000\n_cell_angle_alpha 76.81024000\n_cell_angle_beta 64.35599000\n_cell_angle_gamma 55.14822000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.26347717\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66011596 0.62943762 0.79124055 1\n C C1 1 0.50872322 0.37440507 0.86684508 1\n C C2 1 0.22144073 0.05102352 0.18511129 1\n C C3 1 0.42667946 0.25720696 0.61344274 1\n C C4 1 -0.09364520 0.00069094 0.81866452 1\n C C5 1 0.94708861 -0.04737710 0.47356914 1\n C C6 1 1.10678507 0.44351332 0.17767697 1\n C C7 1 0.74193346 0.74645275 0.04494053 1\n C C8 1 0.26244427 1.00316523 0.83973858 1\n C C9 1 0.06181933 0.56012429 0.48085459 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48398000\n_cell_length_b 4.77371000\n_cell_length_c 4.99773000\n_cell_angle_alpha 83.40062000\n_cell_angle_beta 90.01470000\n_cell_angle_gamma 75.00856000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.83799175\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61981268 0.36260028 0.83859053 1\n C C1 1 0.24837198 0.10365756 0.21503697 1\n C C2 1 0.11333960 0.37450705 0.36812332 1\n C C3 1 0.34114162 0.91640026 0.77058200 1\n C C4 1 0.97455733 0.64726472 0.16215684 1\n C C5 1 0.47600294 0.64417416 -0.02378627 1\n C C6 1 0.83598093 0.92760102 0.30203720 1\n C C7 1 0.63957872 0.32055449 0.54094486 1\n C C8 1 0.20722493 0.18644184 0.92588404 1\n C C9 1 0.81326458 0.97073201 0.59874432 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47332000\n_cell_length_b 4.47114000\n_cell_length_c 4.25059000\n_cell_angle_alpha 68.59448000\n_cell_angle_beta 90.01294000\n_cell_angle_gamma 123.61864000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18656833\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16652172 0.26907528 0.66258320 1\n C C1 1 0.60198642 0.70393056 0.38476247 1\n C C2 1 -0.28728704 0.31543688 0.16190386 1\n C C3 1 0.55568564 0.15848150 0.88413704 1\n C C4 1 0.12146647 0.72360594 0.16196692 1\n C C5 1 1.00966020 0.11217794 0.38481160 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46677000\n_cell_length_b 5.52935000\n_cell_length_c 7.54735000\n_cell_angle_alpha 92.17735000\n_cell_angle_beta 90.07061000\n_cell_angle_gamma 103.05711000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 100.20404355\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73901817 0.02766228 0.57668276 1\n C C1 1 0.94812922 0.44888425 0.67902919 1\n C C2 1 0.61448863 0.77534381 0.64944938 1\n C C3 1 0.25414923 0.05520928 0.46616953 1\n C C4 1 0.47327716 0.50120747 0.57152834 1\n C C5 1 1.15133869 0.85481348 0.93313284 1\n C C6 1 0.08906230 0.72469029 0.75651838 1\n C C7 1 0.93273330 0.41356831 0.29312024 1\n C C8 1 0.30061300 0.15945991 0.86104631 1\n C C9 1 0.18536097 0.91069061 0.30436542 1\n C C10 1 0.41954410 0.39289632 0.38974460 1\n C C11 1 0.66604540 0.87679975 0.21225754 1\n C C12 1 0.81940464 0.19579443 0.74972150 1\n C C13 1 0.37751904 0.31630432 0.02209971 1\n C C14 1 -0.10345270 0.35258206 0.11206056 1\n C C15 1 0.63595765 0.82676472 0.03251758 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45686000\n_cell_length_b 3.66477000\n_cell_length_c 6.45942000\n_cell_angle_alpha 105.70645000\n_cell_angle_beta 79.04600000\n_cell_angle_gamma 109.54257000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.44452324\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05441102 0.60411025 0.51559832 1\n C C1 1 0.58591841 0.54203310 0.17192041 1\n C C2 1 1.22223972 0.48281857 0.83891102 1\n C C3 1 0.21052149 0.70473702 0.08439773 1\n C C4 1 0.49017176 0.58835426 0.40908182 1\n C C5 1 -0.00282726 0.08238933 0.88954678 1\n C C6 1 0.43745526 1.10678448 0.03556662 1\n C C7 1 -0.15169356 0.64720028 0.75244849 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50181000\n_cell_length_b 4.84483000\n_cell_length_c 10.27582000\n_cell_angle_alpha 94.68587000\n_cell_angle_beta 107.37861000\n_cell_angle_gamma 86.37871000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 118.37035700\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.25709086 0.09852175 0.69920807 1\n C C1 1 0.03474722 0.08517477 0.32357008 1\n C C2 1 -0.24175523 0.84694107 0.08651175 1\n C C3 1 0.25627238 0.62063748 0.70990629 1\n C C4 1 0.46746639 0.72611314 0.84522233 1\n C C5 1 0.08254983 0.85191222 0.63163652 1\n C C6 1 0.34208303 0.62212170 0.44880604 1\n C C7 1 -0.07283683 0.31926999 0.22838389 1\n C C8 1 0.62629614 0.09053901 0.41780448 1\n C C9 1 0.21900801 0.01236954 0.05982037 1\n C C10 1 0.31922848 0.28792554 0.13936096 1\n C C11 1 1.15695407 0.43054198 0.00205902 1\n C C12 1 -0.17209802 0.81135683 0.48744948 1\n C C13 1 0.62577311 0.60106993 0.98103338 1\n C C14 1 1.07157669 0.58621848 0.30235564 1\n C C15 1 0.05686191 0.14310889 0.92369498 1\n C C16 1 0.47065928 0.04564490 0.84600780 1\n C C17 1 0.57381557 0.35205618 0.52661378 1\n C C18 1 0.17676908 0.35286120 0.62508278 1\n C C19 1 0.94926562 0.81973770 0.23563893 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47761000\n_cell_length_b 2.47801000\n_cell_length_c 6.31074000\n_cell_angle_alpha 89.99993000\n_cell_angle_beta 78.68348000\n_cell_angle_gamma 59.97479000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67275042\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68167387 0.58533742 0.61799826 1\n C C1 1 0.84977715 0.50038808 0.36701482 1\n C C2 1 0.12491437 0.36234851 0.94940414 1\n C C3 1 0.29160684 0.28012689 0.70175501 1\n C C4 1 0.57151112 0.13893679 0.28347778 1\n C C5 1 0.73627125 0.05631902 0.03267220 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43850000\n_cell_length_b 4.88367000\n_cell_length_c 6.53605000\n_cell_angle_alpha 84.68047000\n_cell_angle_beta 79.27555000\n_cell_angle_gamma 60.02384000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 66.24707114\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20954423 0.92285596 0.95909032 1\n C C1 1 0.18802004 0.43055284 0.98685397 1\n C C2 1 0.58135045 0.58366190 0.89324617 1\n C C3 1 0.47605882 0.47400403 0.32185365 1\n C C4 1 0.70299222 0.58421207 0.64524982 1\n C C5 1 0.39351941 -0.07649842 0.58018310 1\n C C6 1 0.74134003 0.08061431 0.56855754 1\n C C7 1 0.54610542 1.07979187 -0.02709141 1\n C C8 1 0.02837104 0.47373604 0.21754854 1\n C C9 1 0.40226675 0.43121310 0.55194449 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44405000\n_cell_length_b 4.17469000\n_cell_length_c 6.67761000\n_cell_angle_alpha 82.59777000\n_cell_angle_beta 89.99708000\n_cell_angle_gamma 90.00546000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.56485585\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25654589 0.29796212 0.42020300 1\n C C1 1 0.75480092 0.38522037 0.86404796 1\n C C2 1 0.25395839 0.76520526 0.13190017 1\n C C3 1 -0.24365188 0.78724594 0.51911285 1\n C C4 1 0.75383846 0.92328889 0.11523117 1\n C C5 1 0.75462773 0.27957689 1.08662531 1\n C C6 1 0.25478255 0.41084786 0.18180797 1\n C C7 1 0.25614910 0.58976187 0.54998821 1\n C C8 1 0.75671415 0.10716155 0.47111693 1\n C C9 1 1.25495259 0.43949074 0.76682002 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45589000\n_cell_length_b 3.66432000\n_cell_length_c 6.42384000\n_cell_angle_alpha 83.90251000\n_cell_angle_beta 100.95354000\n_cell_angle_gamma 70.40600000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.55914710\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41914088 0.54438163 0.07355800 1\n C C1 1 0.55831107 0.98382060 0.79141504 1\n C C2 1 0.83932196 0.55832663 0.92684518 1\n C C3 1 0.23904819 0.95097565 0.12125466 1\n C C4 1 0.41333032 1.03712682 0.55372148 1\n C C5 1 0.84541043 0.06731924 0.44661042 1\n C C6 1 0.69919613 0.11940921 0.20892502 1\n C C7 1 0.01853083 0.15199681 0.87908230 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31925000\n_cell_length_b 5.22524000\n_cell_length_c 4.84097000\n_cell_angle_alpha 120.55281000\n_cell_angle_beta 94.14369000\n_cell_angle_gamma 85.98360000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.06084420\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71789101 0.20628605 0.30280373 1\n C C1 1 0.07693588 0.85372397 0.77439947 1\n C C2 1 0.32729733 0.59626766 0.64575339 1\n C C3 1 0.96315123 0.96364502 1.08984723 1\n C C4 1 1.10687918 0.81542637 0.25556280 1\n C C5 1 -0.03769078 0.96474070 0.57162747 1\n C C6 1 0.47150809 0.44837504 0.81186856 1\n C C7 1 0.71742686 0.20651075 0.59896981 1\n C C8 1 0.47222260 0.44736774 0.32943175 1\n C C9 1 0.35734979 0.55821561 0.12673788 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48769000\n_cell_length_b 3.60419000\n_cell_length_c 7.31073000\n_cell_angle_alpha 82.88062000\n_cell_angle_beta 80.21080000\n_cell_angle_gamma 69.78780000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.46581830\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22980930 0.15625231 0.63464616 1\n C C1 1 0.63264145 0.93225761 0.04913659 1\n C C2 1 0.86401089 0.51614920 0.00615774 1\n C C3 1 0.49535630 0.32718599 0.93155747 1\n C C4 1 0.20493992 0.55023341 0.29200303 1\n C C5 1 0.47243031 0.71680001 0.58954268 1\n C C6 1 0.60508815 0.31498820 0.72668013 1\n C C7 1 0.09882546 0.55886033 0.49714156 1\n C C8 1 1.06294968 -0.05370902 0.17473595 1\n C C9 1 0.83575214 0.36274665 0.21707959 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.69011000\n_cell_length_b 2.48184000\n_cell_length_c 4.84474000\n_cell_angle_alpha 75.07475000\n_cell_angle_beta 57.35661000\n_cell_angle_gamma 70.30281000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01394710\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33229187 0.02928637 0.96812896 1\n C C1 1 0.38879966 0.28519661 0.39628789 1\n C C2 1 0.04470927 0.60763926 0.09903914 1\n C C3 1 0.57157238 0.80458981 0.17466295 1\n C C4 1 0.62808017 0.06050005 0.60282187 1\n C C5 1 -0.08433723 0.48214716 0.47191170 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.88994000\n_cell_length_b 4.23714000\n_cell_length_c 3.94424000\n_cell_angle_alpha 113.73473000\n_cell_angle_beta 110.10859000\n_cell_angle_gamma 84.16418000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.83261970\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44599067 -0.03120592 0.86675208 1\n C C1 1 0.41416397 0.25804381 0.24265899 1\n C C2 1 0.01029887 0.46766788 0.60539055 1\n C C3 1 1.07249043 0.16462892 0.26317006 1\n C C4 1 0.69059504 0.34701475 0.68140258 1\n C C5 1 0.44589680 0.62281175 0.24658089 1\n C C6 1 0.41437072 0.60377188 0.86275658 1\n C C7 1 0.16927371 0.87974044 0.42767681 1\n C C8 1 0.85041491 0.75944416 0.50478750 1\n C C9 1 0.78725677 0.06224412 0.84626946 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47672000\n_cell_length_b 7.83159000\n_cell_length_c 6.14870000\n_cell_angle_alpha 60.41322000\n_cell_angle_beta 113.77025000\n_cell_angle_gamma 90.05263000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.92778772\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26735152 0.61071186 0.65047646 1\n C C1 1 0.55008445 0.42508440 0.43535962 1\n C C2 1 0.12968339 0.28679275 0.51519368 1\n C C3 1 0.42835170 0.10913973 0.81241528 1\n C C4 1 0.68914866 0.32135729 0.07399305 1\n C C5 1 0.21808197 0.58155411 0.10288319 1\n C C6 1 0.59604684 0.54062680 0.98021980 1\n C C7 1 0.05807394 0.30096750 0.94329486 1\n C C8 1 1.12935999 0.80206845 1.01373148 1\n C C9 1 0.98303835 0.17984562 0.37022203 1\n C C10 1 1.07969747 0.10587509 -0.03604524 1\n C C11 1 0.02767808 0.83645851 0.41107313 1\n C C12 1 0.75691557 0.49824390 0.64084346 1\n C C13 1 1.33903440 0.88569567 0.22256257 1\n C C14 1 0.44903946 -0.09172984 0.83310039 1\n C C15 1 0.14461351 -0.03156085 0.53102013 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42994000\n_cell_length_b 2.43004000\n_cell_length_c 8.49024000\n_cell_angle_alpha 87.44262000\n_cell_angle_beta 81.78103000\n_cell_angle_gamma 59.98143000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.94182615\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21760896 0.65224547 1.00649454 1\n C C1 1 0.89632481 0.96446171 0.34145906 1\n C C2 1 0.71807912 0.04009571 0.67360970 1\n C C3 1 0.55161153 0.98483507 1.00591523 1\n C C4 1 0.56280325 0.63181451 0.34124106 1\n C C5 1 0.05112933 0.37406512 0.67376490 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27270000\n_cell_length_b 3.27604000\n_cell_length_c 6.11376000\n_cell_angle_alpha 108.07146000\n_cell_angle_beta 108.05936000\n_cell_angle_gamma 81.07955000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.11933020\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83251842 0.44703898 0.85651882 1\n C C1 1 0.46981654 0.80795962 0.85618496 1\n C C2 1 0.06692119 0.67888387 0.32484519 1\n C C3 1 0.41411814 0.07423525 0.09047569 1\n C C4 1 0.12986411 0.46647315 0.71420163 1\n C C5 1 0.70503851 0.04044492 0.32466807 1\n C C6 1 0.09794778 0.39207095 0.09055603 1\n C C7 1 0.86764145 0.48013830 0.46740453 1\n C C8 1 0.49075547 0.10467987 0.71413340 1\n C C9 1 0.50707810 0.84239409 0.46772688 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51108000\n_cell_length_b 4.97746000\n_cell_length_c 7.84446000\n_cell_angle_alpha 131.02686000\n_cell_angle_beta 98.67579000\n_cell_angle_gamma 90.37574000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.38363349\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14569385 0.55708626 1.03787405 1\n C C1 1 0.28856218 0.84382631 0.31612956 1\n C C2 1 0.89248286 0.80051198 0.59305870 1\n C C3 1 0.45283093 -0.05246714 0.74834658 1\n C C4 1 0.36697460 0.21951653 0.39939127 1\n C C5 1 0.61529410 0.33090464 0.97617489 1\n C C6 1 0.94243079 0.43329545 0.53312962 1\n C C7 1 0.24208765 0.68947264 0.77917207 1\n C C8 1 0.81088534 0.74213789 0.37412667 1\n C C9 1 0.74082351 0.33611896 0.17463369 1\n C C10 1 0.26245825 1.16848061 1.18007251 1\n C C11 1 1.18494335 0.77685207 0.97493929 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42592000\n_cell_length_b 4.15540000\n_cell_length_c 6.28747000\n_cell_angle_alpha 69.46310000\n_cell_angle_beta 101.09201000\n_cell_angle_gamma 89.97448000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.08561371\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90361539 0.69442361 0.15188167 1\n C C1 1 0.54906929 1.23617136 0.44455627 1\n C C2 1 0.21152417 0.45444417 0.76263586 1\n C C3 1 0.23187162 0.08015640 0.80721431 1\n C C4 1 0.35583632 0.83937205 0.05314365 1\n C C5 1 0.69798530 0.62522180 0.73263553 1\n C C6 1 0.67444400 -0.00222152 0.69014838 1\n C C7 1 1.00033281 0.38087684 0.34562644 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.13919000\n_cell_length_b 6.27594000\n_cell_length_c 6.06587000\n_cell_angle_alpha 61.69527000\n_cell_angle_beta 81.00449000\n_cell_angle_gamma 91.36988000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 103.26084705\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44467361 0.68511474 0.16839428 1\n C C1 1 0.43757664 0.67561377 0.73308743 1\n C C2 1 0.84840857 0.08075186 0.61369066 1\n C C3 1 0.75881718 0.98179728 0.28105997 1\n C C4 1 0.35937051 0.59882992 -0.00307879 1\n C C5 1 0.26767651 0.50867247 0.42982146 1\n C C6 1 0.67740784 0.90672881 0.54472024 1\n C C7 1 1.07160723 0.30926470 0.42275382 1\n C C8 1 0.97966622 0.21077384 0.10894847 1\n C C9 1 0.03867005 0.27369602 0.85455357 1\n C C10 1 0.25976324 0.50258066 0.66376068 1\n C C11 1 0.84153270 0.07423726 0.84788936 1\n C C12 1 0.13385583 0.37091805 0.16906919 1\n C C13 1 0.66960896 0.89550023 1.11024448 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46118000\n_cell_length_b 3.35771000\n_cell_length_c 4.48658000\n_cell_angle_alpha 111.96809000\n_cell_angle_beta 84.62071000\n_cell_angle_gamma 104.48707000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.29142626\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73121380 0.96332685 0.12842647 1\n C C1 1 0.31242775 0.23615404 0.12842437 1\n C C2 1 0.81247248 0.57621119 0.80646113 1\n C C3 1 0.52560045 0.71693179 0.36164863 1\n C C4 1 0.02579794 0.82275150 0.57227482 1\n C C5 1 0.23106258 0.30199503 0.80625658 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45842000\n_cell_length_b 3.40142000\n_cell_length_c 5.94575000\n_cell_angle_alpha 107.87990000\n_cell_angle_beta 101.93987000\n_cell_angle_gamma 111.19596000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.18826568\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12445889 0.17149161 0.83396867 1\n C C1 1 -0.04098928 0.77660236 0.89975971 1\n C C2 1 0.73246670 -0.08070904 0.30347457 1\n C C3 1 0.35082032 0.02826766 0.43018315 1\n C C4 1 0.48618278 0.70387029 0.02722914 1\n C C5 1 0.59714630 0.24402673 0.70642735 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.99235000\n_cell_length_b 4.24999000\n_cell_length_c 4.81593000\n_cell_angle_alpha 84.67497000\n_cell_angle_beta 107.79745000\n_cell_angle_gamma 106.30395000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.96857996\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78192164 0.54352595 0.78288040 1\n C C1 1 -0.08372188 0.04332152 0.03935354 1\n C C2 1 0.51538405 1.03221929 0.52397135 1\n C C3 1 0.73113684 0.86906167 0.78314355 1\n C C4 1 0.86400729 0.36853510 0.03982521 1\n C C5 1 -0.08560661 0.53073588 0.30107678 1\n C C6 1 0.73474316 0.38200528 0.52265531 1\n C C7 1 1.13312041 0.88062501 0.29921726 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46559000\n_cell_length_b 4.75495000\n_cell_length_c 8.28051000\n_cell_angle_alpha 85.94122000\n_cell_angle_beta 72.64166000\n_cell_angle_gamma 89.99152000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.40267489\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43878612 -0.05191794 0.87676823 1\n C C1 1 0.87701593 0.40413162 0.93901807 1\n C C2 1 -0.06540272 0.39221749 0.38331152 1\n C C3 1 0.43478387 0.56844944 0.38325297 1\n C C4 1 0.57366327 0.74566028 0.73944115 1\n C C5 1 0.96534675 0.13005517 0.84919975 1\n C C6 1 0.11858084 0.95122767 0.20042280 1\n C C7 1 0.52639364 0.85089945 0.29235631 1\n C C8 1 0.27239328 0.46977666 0.04554115 1\n C C9 1 0.11191613 0.27042338 0.20689778 1\n C C10 1 1.04978751 0.56716377 0.76319028 1\n C C11 1 0.27385761 -0.20777884 0.04466138 1\n C C12 1 0.14229997 0.29482382 0.66971514 1\n C C13 1 0.74411292 0.22586978 0.56859723 1\n C C14 1 0.75043441 0.90564114 0.56414977 1\n C C15 1 0.33870777 0.82694271 0.47716147 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47909000\n_cell_length_b 4.91864000\n_cell_length_c 6.57483000\n_cell_angle_alpha 111.25938000\n_cell_angle_beta 100.84905000\n_cell_angle_gamma 120.30140000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.23520386\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08421760 0.36174586 0.67241216 1\n C C1 1 0.61869861 0.80210918 0.19769322 1\n C C2 1 1.07026287 0.21248830 0.28248167 1\n C C3 1 0.44641240 0.94513448 0.56671967 1\n C C4 1 0.92425152 0.87117158 0.66995985 1\n C C5 1 0.62623251 0.31171151 0.19500738 1\n C C6 1 0.40911641 0.22529552 0.93298194 1\n C C7 1 0.09629109 0.72846486 0.30097204 1\n C C8 1 0.47075686 0.46087253 0.58475788 1\n C C9 1 0.13219534 0.44779499 0.93435920 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.48944000\n_cell_length_b 4.76442000\n_cell_length_c 5.10686000\n_cell_angle_alpha 93.51249000\n_cell_angle_beta 112.39706000\n_cell_angle_gamma 105.67917000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 116.85320143\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21181527 0.64635432 0.24275749 1\n C C1 1 0.57617587 0.08257054 0.87286435 1\n C C2 1 -0.01801574 0.33629403 0.47319015 1\n C C3 1 0.57652885 0.39333335 0.87228904 1\n C C4 1 0.06465678 0.10635846 0.39269561 1\n C C5 1 0.45891757 0.55304000 -0.00169435 1\n C C6 1 0.73089668 0.03694431 0.71723523 1\n C C7 1 0.97263875 0.84011412 0.48016645 1\n C C8 1 0.30311576 0.42775649 0.15520805 1\n C C9 1 0.05455417 0.60962639 0.39922192 1\n C C10 1 0.80653332 0.79780834 0.64358417 1\n C C11 1 0.23012418 1.14871355 0.22856221 1\n C C12 1 0.45788527 0.86243214 -0.00345914 1\n C C13 1 0.30376324 0.90823585 1.15310809 1\n C C14 1 0.73334121 0.51893022 0.71668359 1\n C C15 1 0.82396513 0.29972658 0.62873404 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45390000\n_cell_length_b 4.17846000\n_cell_length_c 5.60258000\n_cell_angle_alpha 60.80637000\n_cell_angle_beta 77.30393000\n_cell_angle_gamma 89.99046000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.53506839\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.14839725 0.80486275 0.44642195 1\n C C1 1 0.44581862 0.09908244 0.86388931 1\n C C2 1 0.41223176 0.40739992 0.92146755 1\n C C3 1 -0.02170173 0.64705892 0.78862225 1\n C C4 1 -0.04563021 0.95633092 0.84506115 1\n C C5 1 0.67958984 0.66176174 0.38602589 1\n C C6 1 0.70962003 0.39156966 0.32317907 1\n C C7 1 0.23863174 0.24775767 0.26431993 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26347000\n_cell_length_b 3.63541000\n_cell_length_c 3.28196000\n_cell_angle_alpha 75.36295000\n_cell_angle_beta 80.76795000\n_cell_angle_gamma 75.44832000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.26925471\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55139151 0.25050274 -0.09916694 1\n C C1 1 0.86835748 0.25011804 0.58369921 1\n C C2 1 0.92304018 0.63214846 0.31636161 1\n C C3 1 0.13661186 -0.13183226 0.52884274 1\n C C4 1 0.49701235 0.86864447 0.16677276 1\n C C5 1 0.28449743 0.63224454 -0.04471528 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53164000\n_cell_length_b 2.48401000\n_cell_length_c 7.92144000\n_cell_angle_alpha 80.59607000\n_cell_angle_beta 99.23811000\n_cell_angle_gamma 90.09977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.49267987\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90614586 0.42887635 0.65821866 1\n C C1 1 0.21337890 0.13022763 0.26684384 1\n C C2 1 0.34865205 0.48640944 0.54250364 1\n C C3 1 0.15980530 0.68630474 0.16037276 1\n C C4 1 0.29700362 1.04100875 0.43791465 1\n C C5 1 0.60763922 0.73411629 0.05672178 1\n C C6 1 0.51672511 0.81267746 0.87909522 1\n C C7 1 -0.03473697 0.86722043 0.77595697 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47605000\n_cell_length_b 4.86297000\n_cell_length_c 4.79534000\n_cell_angle_alpha 112.07055000\n_cell_angle_beta 89.99997000\n_cell_angle_gamma 120.63408000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.69460527\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70335481 1.01030976 0.36026904 1\n C C1 1 0.58937042 0.39661761 0.87200815 1\n C C2 1 0.78157390 0.58828971 0.51541883 1\n C C3 1 0.41093878 0.21820470 0.51550899 1\n C C4 1 0.95933356 0.76662463 0.87188522 1\n C C5 1 0.66700923 0.97437542 1.02663990 1\n C C6 1 1.03660224 0.34361190 0.02668351 1\n C C7 1 0.33382275 0.64093087 0.36020095 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42429000\n_cell_length_b 6.12014000\n_cell_length_c 5.64815000\n_cell_angle_alpha 63.46806000\n_cell_angle_beta 90.65170000\n_cell_angle_gamma 78.90751000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.12197322\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08290383 0.09922250 0.45744691 1\n C C1 1 0.39480794 0.46726345 0.12176979 1\n C C2 1 0.71044712 0.83655537 0.09128952 1\n C C3 1 1.01300841 0.22781622 0.94338604 1\n C C4 1 -0.10893936 0.46926988 0.95638268 1\n C C5 1 0.52085819 0.22472949 0.36870767 1\n C C6 1 0.27425269 0.70966912 0.13281641 1\n C C7 1 0.21325915 0.83531526 0.61839994 1\n C C8 1 0.77568783 0.71009789 0.70865905 1\n C C9 1 0.57533150 0.10146791 0.98299149 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29629000\n_cell_length_b 4.43456000\n_cell_length_c 4.42780000\n_cell_angle_alpha 113.46508000\n_cell_angle_beta 76.24637000\n_cell_angle_gamma 103.88455000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.89701942\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59888764 0.04175921 0.39783740 1\n C C1 1 0.43363084 0.70787696 0.23163903 1\n C C2 1 0.09890579 0.54175375 0.39782902 1\n C C3 1 0.93364313 0.20785727 0.23162871 1\n C C4 1 0.93363529 0.70787751 0.73162158 1\n C C5 1 0.43364466 0.20788401 0.73163456 1\n C C6 1 1.09890843 0.04176349 0.89782873 1\n C C7 1 0.59892363 0.54176501 -0.10216454 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43150000\n_cell_length_b 4.20444000\n_cell_length_c 6.06593000\n_cell_angle_alpha 110.17937000\n_cell_angle_beta 97.25796000\n_cell_angle_gamma 90.08669000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.67194527\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71069856 0.01625890 0.92768483 1\n C C1 1 0.88241560 0.19801427 0.42500893 1\n C C2 1 0.38257946 0.03103943 0.42533313 1\n C C3 1 0.38241560 0.69801427 0.42500893 1\n C C4 1 0.21042253 0.18324721 0.92720140 1\n C C5 1 0.71042253 0.68324721 0.92720140 1\n C C6 1 0.88257946 0.53103943 0.42533313 1\n C C7 1 0.21069856 0.51625890 0.92768483 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42985000\n_cell_length_b 3.11584000\n_cell_length_c 5.93325000\n_cell_angle_alpha 95.75032000\n_cell_angle_beta 75.88087000\n_cell_angle_gamma 94.39232000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.28119634\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02201888 0.48191253 0.84603255 1\n C C1 1 0.57687481 0.37139990 0.73426374 1\n C C2 1 0.35534972 0.81521751 0.17936373 1\n C C3 1 0.24354398 1.03809492 0.40093256 1\n C C4 1 0.91017295 0.70465873 0.06762754 1\n C C5 1 0.68872074 0.14865370 0.51266875 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42557000\n_cell_length_b 7.03003000\n_cell_length_c 10.05310000\n_cell_angle_alpha 75.55596000\n_cell_angle_beta 86.93292000\n_cell_angle_gamma 60.40832000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 143.85780808\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04138818 0.12584140 0.60754461 1\n C C1 1 0.96174515 0.22169201 0.46310707 1\n C C2 1 0.09379907 0.65082638 0.68373620 1\n C C3 1 0.31249682 0.84087725 0.04623070 1\n C C4 1 0.61544208 0.59690225 0.04589256 1\n C C5 1 0.75533498 0.21721901 0.90238945 1\n C C6 1 0.77003233 0.43133883 0.17794811 1\n C C7 1 0.80231527 0.85721463 0.25473047 1\n C C8 1 1.13163413 -0.01894889 0.89718091 1\n C C9 1 0.71547300 0.56201856 0.90623378 1\n C C10 1 0.51014723 -0.27904391 0.46810143 1\n C C11 1 0.59402049 0.65724588 0.61393283 1\n C C12 1 0.60159816 0.06788871 0.67633806 1\n C C13 1 0.95081550 -0.23077013 0.39565655 1\n C C14 1 0.33509170 0.36924403 0.24750744 1\n C C15 1 0.06289998 0.67482881 0.82726389 1\n C C16 1 -0.25213016 0.87784589 0.12265211 1\n C C17 1 0.72840524 0.92927774 0.82296134 1\n C C18 1 0.42554799 0.26432206 0.39125139 1\n C C19 1 0.09545947 0.32252369 0.90697030 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42355000\n_cell_length_b 3.94381000\n_cell_length_c 4.77675000\n_cell_angle_alpha 85.84171000\n_cell_angle_beta 91.16528000\n_cell_angle_gamma 70.60206000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.90330629\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34637983 0.18195057 0.59330038 1\n C C1 1 0.01313253 0.84869237 0.25988612 1\n C C2 1 0.79058100 0.29341674 0.70325913 1\n C C3 1 0.67943861 0.51536978 0.92662837 1\n C C4 1 0.45740116 0.96012553 0.36981831 1\n C C5 1 1.12370276 0.62682202 0.03650630 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27646000\n_cell_length_b 3.26774000\n_cell_length_c 4.24027000\n_cell_angle_alpha 95.14143000\n_cell_angle_beta 55.92215000\n_cell_angle_gamma 80.87179000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.23144416\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63543246 0.31175666 0.21963981 1\n C C1 1 0.07101862 1.04305434 0.83823953 1\n C C2 1 0.31699409 0.62786440 0.22051632 1\n C C3 1 0.43079458 0.68233822 0.83912219 1\n C C4 1 0.88140210 0.89636328 0.60195088 1\n C C5 1 0.52110435 0.25708381 0.60121917 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46805000\n_cell_length_b 3.31439000\n_cell_length_c 9.62781000\n_cell_angle_alpha 94.69183000\n_cell_angle_beta 101.90212000\n_cell_angle_gamma 106.99722000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.84239841\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12186211 0.54454043 -0.05018716 1\n C C1 1 0.71147668 0.59360402 0.03641046 1\n C C2 1 0.38212173 0.40287019 0.72257138 1\n C C3 1 0.61109866 0.28038925 0.14513127 1\n C C4 1 0.02902637 0.00690538 0.14447741 1\n C C5 1 0.56203038 0.25666012 0.39551223 1\n C C6 1 0.25306237 0.84606953 0.28955670 1\n C C7 1 -0.33079846 0.57351604 0.28976168 1\n C C8 1 0.15173626 0.29633214 0.48789201 1\n C C9 1 0.08291309 0.98820402 0.60389005 1\n C C10 1 -0.03077813 0.45024546 0.80779231 1\n C C11 1 0.45126063 0.70964423 0.60350648 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51700000\n_cell_length_b 3.51698000\n_cell_length_c 3.31830000\n_cell_angle_alpha 90.00306000\n_cell_angle_beta 90.00238000\n_cell_angle_gamma 59.99708000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.54477469\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36390450 0.16645192 0.30825724 1\n C C1 1 0.90029357 0.39850450 0.14255222 1\n C C2 1 0.66855180 0.16633754 0.97485146 1\n C C3 1 0.90030520 0.70239170 0.80821132 1\n C C4 1 0.36393582 0.47074698 0.64261196 1\n C C5 1 0.59557751 0.70269626 0.47473440 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35278000\n_cell_length_b 4.86293000\n_cell_length_c 4.58680000\n_cell_angle_alpha 74.67106000\n_cell_angle_beta 68.45654000\n_cell_angle_gamma 44.33203000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.60957022\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11864190 0.34606815 0.22935811 1\n C C1 1 1.34783996 0.15800442 0.51518420 1\n C C2 1 0.01578865 0.82501367 0.51496782 1\n C C3 1 0.53012921 0.63659207 0.22901662 1\n C C4 1 0.07542531 -0.00933243 0.72862522 1\n C C5 1 0.47126930 0.33582836 0.90979451 1\n C C6 1 1.08750009 0.49079845 0.70474299 1\n C C7 1 0.49902098 0.64468391 0.90971812 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56177000\n_cell_length_b 2.47984000\n_cell_length_c 6.71792000\n_cell_angle_alpha 123.64990000\n_cell_angle_beta 90.48809000\n_cell_angle_gamma 89.94331000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.52473968\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48970491 0.14254548 0.38990649 1\n C C1 1 -0.01488364 0.90225998 0.22946382 1\n C C2 1 0.49016875 0.86030038 0.53464822 1\n C C3 1 0.47970514 -0.06891490 0.91430045 1\n C C4 1 0.98235332 0.17099858 0.07464352 1\n C C5 1 0.48092512 0.21365879 0.76967359 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43819000\n_cell_length_b 5.13545000\n_cell_length_c 5.75354000\n_cell_angle_alpha 106.98296000\n_cell_angle_beta 82.98533000\n_cell_angle_gamma 111.11797000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.26086750\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34743968 -0.01251517 0.28069189 1\n C C1 1 0.34507517 0.52368353 0.38169144 1\n C C2 1 0.83326566 0.97493960 0.83868169 1\n C C3 1 0.14140017 0.71882967 1.08317929 1\n C C4 1 0.11942502 0.37185785 0.57442963 1\n C C5 1 0.66924128 0.69375976 0.92573292 1\n C C6 1 -0.08235159 0.10382655 0.37624155 1\n C C7 1 0.59078833 0.39487919 0.73109186 1\n C C8 1 0.42636524 1.11292819 0.81720519 1\n C C9 1 0.91982173 0.57221302 0.27939823 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35037000\n_cell_length_b 4.27425000\n_cell_length_c 4.98171000\n_cell_angle_alpha 94.21136000\n_cell_angle_beta 96.55903000\n_cell_angle_gamma 122.31053000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.12564452\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.03587543 0.50444462 0.61341514 1\n C C1 1 0.30134997 1.00231511 0.38306983 1\n C C2 1 0.83897745 0.68913564 0.23333579 1\n C C3 1 0.39648358 -0.12988681 0.61393475 1\n C C4 1 0.12914602 0.37394910 -0.15299355 1\n C C5 1 0.59203222 0.68671961 0.99492327 1\n C C6 1 0.75506939 0.00184792 0.84592948 1\n C C7 1 0.67532493 0.37450082 0.38398938 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.11354000\n_cell_length_b 4.87064000\n_cell_length_c 3.74193000\n_cell_angle_alpha 104.65004000\n_cell_angle_beta 102.16466000\n_cell_angle_gamma 121.68090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.73181291\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06265008 0.97532471 0.04107303 1\n C C1 1 -0.22118603 0.36099861 0.68152211 1\n C C2 1 0.73732943 0.50792674 0.36132251 1\n C C3 1 0.41454775 0.64904081 0.64346125 1\n C C4 1 0.83613678 0.09298834 0.48476076 1\n C C5 1 0.95424627 0.62556378 0.11244970 1\n C C6 1 0.41464984 0.13275934 0.02653878 1\n C C7 1 0.49375200 0.87764958 0.09252846 1\n C C8 1 0.40997221 0.13462670 0.64193865 1\n C C9 1 0.29398713 0.77063328 0.35382388 1\n C C10 1 0.76699780 0.82065352 0.64414633 1\n C C11 1 0.17982344 0.23836037 0.46485323 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47601000\n_cell_length_b 4.86178000\n_cell_length_c 5.39368000\n_cell_angle_alpha 124.59009000\n_cell_angle_beta 62.66970000\n_cell_angle_gamma 120.62685000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.65227284\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62216572 0.07139774 0.70790674 1\n C C1 1 0.69961618 0.49439612 0.55308847 1\n C C2 1 -0.00841768 0.44152112 0.70806171 1\n C C3 1 0.81247593 0.61969439 0.06478567 1\n C C4 1 0.44305933 0.24957101 1.06463070 1\n C C5 1 0.36572233 0.82748617 0.21958803 1\n C C6 1 0.06891932 0.86360596 0.55310437 1\n C C7 1 0.73502547 0.19669601 0.21960394 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43026000\n_cell_length_b 3.08197000\n_cell_length_c 7.95976000\n_cell_angle_alpha 71.74982000\n_cell_angle_beta 88.60412000\n_cell_angle_gamma 88.13230000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.58321755\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57647506 0.95718607 0.95218992 1\n C C1 1 0.07684664 0.45527965 0.20199998 1\n C C2 1 0.07655897 0.79047983 0.03608186 1\n C C3 1 0.07649525 0.45582580 0.70209695 1\n C C4 1 0.57676158 0.29236330 0.28629644 1\n C C5 1 0.57639882 0.29221180 0.78624231 1\n C C6 1 0.57672025 -0.04167209 0.45245990 1\n C C7 1 0.07673493 0.79184405 0.53634515 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46828000\n_cell_length_b 4.34764000\n_cell_length_c 8.42266000\n_cell_angle_alpha 110.06260000\n_cell_angle_beta 98.49173000\n_cell_angle_gamma 89.99137000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.84554210\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88822921 0.35850013 0.97831139 1\n C C1 1 0.21739553 0.99084025 0.61691082 1\n C C2 1 0.68589030 0.39794186 0.55371709 1\n C C3 1 0.13808366 0.43382343 0.46197018 1\n C C4 1 0.38953054 0.20310056 0.98254187 1\n C C5 1 -0.12380200 0.67715852 0.94524767 1\n C C6 1 0.67824994 0.04825064 0.53876858 1\n C C7 1 0.57217692 0.79291321 0.33571432 1\n C C8 1 0.27731270 0.84612105 0.73235263 1\n C C9 1 0.78575714 0.67537689 0.75052438 1\n C C10 1 0.51830477 0.01789832 0.22317163 1\n C C11 1 0.06775229 0.59409811 0.32745875 1\n C C12 1 1.04586164 0.22299129 0.27941555 1\n C C13 1 0.41595486 0.88334785 1.02531184 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45047000\n_cell_length_b 4.58282000\n_cell_length_c 4.55949000\n_cell_angle_alpha 76.59062000\n_cell_angle_beta 105.73396000\n_cell_angle_gamma 122.32850000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.40713628\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52915722 0.08034140 0.05071101 1\n C C1 1 0.52654629 0.75762752 0.69010888 1\n C C2 1 0.45485560 0.29032496 0.48288254 1\n C C3 1 0.24112187 0.94385757 0.74815786 1\n C C4 1 0.16975969 0.47710690 0.54009080 1\n C C5 1 0.16577583 0.15157715 0.18205542 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42951000\n_cell_length_b 4.69265000\n_cell_length_c 6.21874000\n_cell_angle_alpha 105.89918000\n_cell_angle_beta 90.12676000\n_cell_angle_gamma 121.41200000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.27820175\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34162593 0.62565077 0.48822544 1\n C C1 1 1.00649433 0.29040824 0.82089389 1\n C C2 1 0.50655986 0.79039204 0.32089770 1\n C C3 1 0.59312448 0.37712853 0.73927416 1\n C C4 1 0.09287468 -0.12311763 0.23918251 1\n C C5 1 0.84127486 0.12529389 0.98804136 1\n C C6 1 0.75807916 0.54186326 0.57190555 1\n C C7 1 0.25764200 0.04139361 0.07169409 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42953000\n_cell_length_b 4.62923000\n_cell_length_c 6.74685000\n_cell_angle_alpha 98.96254000\n_cell_angle_beta 57.89286000\n_cell_angle_gamma 75.61070000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.30108827\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39930475 0.09818986 0.16289383 1\n C C1 1 0.64949185 -0.15190139 0.41281768 1\n C C2 1 0.14902169 0.34837152 0.91302037 1\n C C3 1 -0.01604377 1.18070771 1.07886716 1\n C C4 1 0.23416177 -0.06941219 0.32879501 1\n C C5 1 0.89919627 0.59830256 0.66294894 1\n C C6 1 0.48404651 0.68069382 0.57882871 1\n C C7 1 0.73387502 0.43076421 -0.17109509 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48040000\n_cell_length_b 3.69001000\n_cell_length_c 4.83962000\n_cell_angle_alpha 57.42081000\n_cell_angle_beta 75.09384000\n_cell_angle_gamma 70.29326000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97927012\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55546759 0.71363496 0.66449749 1\n C C1 1 -0.24528953 0.24062646 0.74026690 1\n C C2 1 0.43534557 0.58488983 0.03792498 1\n C C3 1 -0.02301647 1.00139861 0.53360321 1\n C C4 1 1.01363052 0.29728902 0.16884370 1\n C C5 1 0.23452142 0.05818212 0.96253152 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47340000\n_cell_length_b 4.46079000\n_cell_length_c 4.24624000\n_cell_angle_alpha 68.62181000\n_cell_angle_beta 90.05569000\n_cell_angle_gamma 56.50485000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.12743281\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63903742 0.21858056 0.56613568 1\n C C1 1 0.59434047 0.76410946 0.06686724 1\n C C2 1 0.75049239 0.60730354 0.78887762 1\n C C3 1 0.04802370 0.81020940 0.56615244 1\n C C4 1 0.15878679 0.19893673 0.78894866 1\n C C5 1 0.20509183 0.65336512 0.28814326 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.72836000\n_cell_length_b 4.45437000\n_cell_length_c 4.93466000\n_cell_angle_alpha 106.73850000\n_cell_angle_beta 113.49589000\n_cell_angle_gamma 88.42326000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.61654873\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51648963 0.40887138 0.53096217 1\n C C1 1 0.56455658 0.44934714 0.05524716 1\n C C2 1 0.19321804 0.59186420 0.90926793 1\n C C3 1 0.40446928 0.05497279 0.36577161 1\n C C4 1 0.13195047 0.44451608 0.57232131 1\n C C5 1 0.83686238 0.05960948 0.84862521 1\n C C6 1 0.22397270 0.94622973 0.02025270 1\n C C7 1 0.14583132 0.08525561 0.54826773 1\n C C8 1 0.82174236 0.41924312 0.87225462 1\n C C9 1 0.74498155 0.55795837 0.40062442 1\n C C10 1 0.45267357 0.09538797 0.89012649 1\n C C11 1 0.77495552 0.91245374 0.51166174 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45528000\n_cell_length_b 4.61370000\n_cell_length_c 8.47072000\n_cell_angle_alpha 118.57175000\n_cell_angle_beta 98.33840000\n_cell_angle_gamma 89.93942000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 83.12129477\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90523149 0.91255129 0.48075394 1\n C C1 1 0.78324649 0.18355899 0.22794294 1\n C C2 1 0.18081457 0.30513390 1.01595559 1\n C C3 1 0.69018489 0.12139253 0.03276329 1\n C C4 1 0.00259169 0.93173212 0.66573593 1\n C C5 1 1.08413450 0.28542236 0.83100955 1\n C C6 1 0.26925260 0.63271389 0.19917613 1\n C C7 1 0.51709829 0.77368846 0.69176239 1\n C C8 1 0.61109192 0.80135859 0.87600185 1\n C C9 1 0.81616718 0.58579349 0.29754812 1\n C C10 1 0.56972422 0.44364117 0.80527890 1\n C C11 1 0.47537178 0.41631908 0.62124834 1\n C C12 1 0.30244170 0.03548158 0.26940247 1\n C C13 1 0.39576646 0.09667134 0.46425316 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44012000\n_cell_length_b 4.18518000\n_cell_length_c 7.49706000\n_cell_angle_alpha 108.21446000\n_cell_angle_beta 60.77741000\n_cell_angle_gamma 90.02061000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 62.39089497\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11399807 0.55092730 0.23539240 1\n C C1 1 1.11552280 -0.08446679 0.56850377 1\n C C2 1 0.75420785 0.07828110 0.81051818 1\n C C3 1 -0.24818069 0.71296930 0.47762417 1\n C C4 1 0.77479637 0.43908034 0.12888020 1\n C C5 1 1.09405825 1.19031165 0.91669163 1\n C C6 1 0.17524239 0.23881336 0.52855425 1\n C C7 1 0.69404907 0.38899913 0.51656951 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48014000\n_cell_length_b 5.62681000\n_cell_length_c 4.24119000\n_cell_angle_alpha 97.80901000\n_cell_angle_beta 90.00652000\n_cell_angle_gamma 77.24518000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.16378247\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34122397 0.19085723 0.24680807 1\n C C1 1 0.70833477 0.45133586 0.64357780 1\n C C2 1 -0.02918630 0.92601301 0.55954759 1\n C C3 1 0.47015214 -0.07131711 0.07113468 1\n C C4 1 0.20628500 0.45429738 0.15559879 1\n C C5 1 0.65372914 0.55751376 0.33263343 1\n C C6 1 1.01508551 0.84038880 0.88486592 1\n C C7 1 0.16480544 0.53826227 0.82999386 1\n C C8 1 0.84169447 0.18959381 0.46824719 1\n C C9 1 0.52312854 0.82332740 0.38268746 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48804000\n_cell_length_b 4.30460000\n_cell_length_c 5.55890000\n_cell_angle_alpha 49.80159000\n_cell_angle_beta 102.94762000\n_cell_angle_gamma 90.01330000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.47654063\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03631203 1.06757604 0.05726291 1\n C C1 1 0.53605572 0.56763321 0.05722570 1\n C C2 1 0.34946148 0.87998325 0.68225372 1\n C C3 1 0.28653924 0.31750490 0.55720398 1\n C C4 1 0.09879989 0.62989108 0.18229602 1\n C C5 1 0.84942139 0.37992743 0.68229487 1\n C C6 1 0.59906530 0.12994519 0.18224913 1\n C C7 1 0.78666214 0.81754660 0.55716577 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48145000\n_cell_length_b 3.68862000\n_cell_length_c 4.89811000\n_cell_angle_alpha 66.80393000\n_cell_angle_beta 59.53306000\n_cell_angle_gamma 70.30480000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98129594\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33836424 0.07807546 0.22499960 1\n C C1 1 0.36228875 0.43459592 0.52251261 1\n C C2 1 0.65273658 0.59137392 0.65340219 1\n C C3 1 0.61322984 0.68126669 0.14859748 1\n C C4 1 0.63666843 0.03741180 0.44663789 1\n C C5 1 0.32172396 0.52416292 0.01823704 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45944000\n_cell_length_b 5.94264000\n_cell_length_c 4.32548000\n_cell_angle_alpha 83.48231000\n_cell_angle_beta 84.41705000\n_cell_angle_gamma 56.56119000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.66059137\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85236630 0.64247040 0.34481502 1\n C C1 1 0.63037268 0.24488908 0.34490258 1\n C C2 1 -0.15016306 0.64206223 0.01789657 1\n C C3 1 0.00404727 0.05944985 0.84480339 1\n C C4 1 0.47594010 0.82650658 0.51795163 1\n C C5 1 0.24080634 0.44400486 0.51569704 1\n C C6 1 0.23946858 0.44305102 0.84715214 1\n C C7 1 0.47524952 0.82728534 0.84603587 1\n C C8 1 0.62794703 0.24443748 1.01786137 1\n C C9 1 0.00472134 0.05859486 0.51667050 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43839000\n_cell_length_b 6.49800000\n_cell_length_c 5.13892000\n_cell_angle_alpha 57.77316000\n_cell_angle_beta 68.91958000\n_cell_angle_gamma 79.82609000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.25887209\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31604296 0.84977411 0.51140670 1\n C C1 1 -0.15547153 0.00727186 0.37870833 1\n C C2 1 0.29128691 0.35893662 0.35048674 1\n C C3 1 0.51950844 0.65208495 0.44066939 1\n C C4 1 0.08874470 0.55641548 0.42093423 1\n C C5 1 0.60283247 0.11385172 0.85175784 1\n C C6 1 0.51831486 0.55188904 1.00599817 1\n C C7 1 0.76435354 0.20140950 0.48310748 1\n C C8 1 1.00972932 0.09442992 0.01065408 1\n C C9 1 1.09273384 0.65511691 0.85555174 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43696000\n_cell_length_b 4.23540000\n_cell_length_c 6.53725000\n_cell_angle_alpha 96.03092000\n_cell_angle_beta 79.21882000\n_cell_angle_gamma 89.99866000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.90299649\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43425445 0.95766967 0.28638070 1\n C C1 1 -0.07107570 0.11682708 0.29778506 1\n C C2 1 0.76229687 0.52289250 0.60818735 1\n C C3 1 0.72350759 0.87058651 0.67254495 1\n C C4 1 1.10318524 0.47705858 0.93346006 1\n C C5 1 0.55134033 0.51355176 1.03702257 1\n C C6 1 -0.10903794 0.46498287 0.36197065 1\n C C7 1 0.21809152 0.02996364 0.68457562 1\n C C8 1 0.43943258 0.60438521 0.26767325 1\n C C9 1 0.21420056 0.38396088 0.70278910 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.29890000\n_cell_length_b 2.48836000\n_cell_length_c 4.30340000\n_cell_angle_alpha 106.75251000\n_cell_angle_beta 99.58606000\n_cell_angle_gamma 90.05029000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.40682540\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49311497 0.11438871 0.88722258 1\n C C1 1 0.80604780 1.05113843 0.76202938 1\n C C2 1 0.05658967 0.80122878 0.26203077 1\n C C3 1 0.55658827 0.30104666 0.26203796 1\n C C4 1 -0.00688652 0.61442744 0.88721697 1\n C C5 1 0.74368833 0.86428888 0.38722304 1\n C C6 1 0.30604917 0.55118762 0.76203668 1\n C C7 1 0.24368961 0.36447538 0.38722732 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52195000\n_cell_length_b 4.83642000\n_cell_length_c 6.39122000\n_cell_angle_alpha 100.40242000\n_cell_angle_beta 100.89680000\n_cell_angle_gamma 105.16086000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.67668293\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41693924 0.97707826 0.29165998 1\n C C1 1 0.55882097 0.81865940 0.65405827 1\n C C2 1 0.70285247 0.52361080 0.33671884 1\n C C3 1 0.67764144 0.10574648 0.77386686 1\n C C4 1 0.61704078 0.60394695 0.76909893 1\n C C5 1 0.82139390 -0.05063539 0.13840611 1\n C C6 1 0.63828338 0.65451758 0.99033878 1\n C C7 1 0.59827098 0.27167176 0.43880668 1\n C C8 1 -0.11481859 0.20221782 1.01924543 1\n C C9 1 0.62037148 0.32180236 0.66015334 1\n C C10 1 0.53275993 0.40122366 0.09093412 1\n C C11 1 0.35170071 0.72312742 0.40908576 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47755000\n_cell_length_b 2.47776000\n_cell_length_c 6.31075000\n_cell_angle_alpha 78.67841000\n_cell_angle_beta 78.67657000\n_cell_angle_gamma 59.98650000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67221322\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68328770 0.63488657 0.50204952 1\n C C1 1 0.21035791 0.16475797 0.91623664 1\n C C2 1 0.98811503 0.94180878 0.58505950 1\n C C3 1 0.12826014 0.07866416 0.16736426 1\n C C4 1 0.90461420 0.86005576 0.83246343 1\n C C5 1 0.76738831 0.71692956 0.25118406 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48741000\n_cell_length_b 4.06204000\n_cell_length_c 5.29299000\n_cell_angle_alpha 58.46332000\n_cell_angle_beta 89.99266000\n_cell_angle_gamma 89.99856000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.58142817\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75455111 0.27212637 0.11192919 1\n C C1 1 0.75457302 0.84822290 0.27130796 1\n C C2 1 0.25434129 0.00331764 0.57401284 1\n C C3 1 0.25449007 0.11710562 0.80885846 1\n C C4 1 0.25447994 0.35913923 0.22635288 1\n C C5 1 0.75447185 0.34675920 0.80382411 1\n C C6 1 0.75439167 0.77330124 0.57907328 1\n C C7 1 0.25466155 0.76161470 1.15676718 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48413000\n_cell_length_b 4.05041000\n_cell_length_c 5.75786000\n_cell_angle_alpha 115.70957000\n_cell_angle_beta 119.84954000\n_cell_angle_gamma 78.98711000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.25099564\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01415110 0.07334411 -0.03408604 1\n C C1 1 0.12149515 1.12103109 0.44090997 1\n C C2 1 0.67390439 0.88967720 0.44079928 1\n C C3 1 0.86285643 0.74115487 0.68201634 1\n C C4 1 -0.16779228 0.46337868 -0.03403532 1\n C C5 1 0.70446186 0.16915059 0.15702046 1\n C C6 1 0.52311250 0.55880362 0.15699707 1\n C C7 1 0.41521775 0.51080155 0.68207393 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.39217000\n_cell_length_b 2.96373000\n_cell_length_c 4.77986000\n_cell_angle_alpha 73.64761000\n_cell_angle_beta 84.97482000\n_cell_angle_gamma 67.64005000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.20117206\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.09458098 -0.03680273 0.71153604 1\n C C1 1 0.58071816 0.47685310 0.44984847 1\n C C2 1 0.74317506 0.09562771 0.70800505 1\n C C3 1 0.25669376 0.85234293 0.45131569 1\n C C4 1 0.08016355 0.11452008 0.19539960 1\n C C5 1 0.59427150 0.87599126 -0.06150414 1\n C C6 1 0.24308235 0.00568377 0.93580677 1\n C C7 1 0.75691944 0.49344348 0.19567302 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50278000\n_cell_length_b 4.14411000\n_cell_length_c 7.22696000\n_cell_angle_alpha 89.99448000\n_cell_angle_beta 110.39269000\n_cell_angle_gamma 90.01198000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.25875764\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57547800 0.47668567 0.12357560 1\n C C1 1 -0.05214101 0.49601789 0.49812862 1\n C C2 1 0.55615702 0.99776653 0.60654448 1\n C C3 1 0.37966997 0.62570099 0.92546126 1\n C C4 1 0.37936995 0.99601395 0.92549834 1\n C C5 1 0.94797147 0.12555057 0.49816010 1\n C C6 1 0.74947761 0.64496864 0.29956846 1\n C C7 1 0.57522698 0.14501870 0.12359156 1\n C C8 1 0.74924241 -0.02328961 0.29956499 1\n C C9 1 0.77065422 0.12413724 0.81715658 1\n C C10 1 0.55609197 0.62409742 0.60647518 1\n C C11 1 0.77079010 0.49783333 0.81706953 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43076000\n_cell_length_b 4.61138000\n_cell_length_c 3.93635000\n_cell_angle_alpha 82.91798000\n_cell_angle_beta 90.98417000\n_cell_angle_gamma 104.63150000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.36207879\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54816140 0.36195248 0.23113152 1\n C C1 1 0.99423115 0.25228010 0.11828669 1\n C C2 1 0.21390082 0.69428216 0.56621019 1\n C C3 1 0.32809801 0.91974990 0.78375044 1\n C C4 1 0.65984631 0.58523296 0.45242231 1\n C C5 1 0.88195552 1.02891949 0.89732095 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.89572000\n_cell_length_b 4.08092000\n_cell_length_c 4.24630000\n_cell_angle_alpha 72.54176000\n_cell_angle_beta 109.26243000\n_cell_angle_gamma 110.47844000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.38642979\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62153991 0.95028741 0.72124781 1\n C C1 1 0.39199067 0.56444090 0.83332006 1\n C C2 1 0.04284400 0.61041946 0.22093738 1\n C C3 1 -0.19521187 0.15656431 -0.00582762 1\n C C4 1 0.03282897 0.54193145 0.88146702 1\n C C5 1 1.01855449 0.93816057 0.29462249 1\n C C6 1 0.38212215 0.49629720 0.49370312 1\n C C7 1 0.62322732 0.34080072 0.14126903 1\n C C8 1 0.40801616 0.16848645 0.42097929 1\n C C9 1 0.80232590 0.76566592 0.57380281 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47508000\n_cell_length_b 4.20439000\n_cell_length_c 9.04016000\n_cell_angle_alpha 85.14133000\n_cell_angle_beta 73.78105000\n_cell_angle_gamma 88.70343000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.00508280\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25596225 0.35572646 0.63997242 1\n C C1 1 0.68374078 0.86219581 0.64137648 1\n C C2 1 0.24749687 0.31224819 0.10768418 1\n C C3 1 0.55660398 0.32246968 0.46565855 1\n C C4 1 0.93693307 0.98736678 0.93581248 1\n C C5 1 1.14911428 0.56929576 0.22074693 1\n C C6 1 0.96437505 0.64934690 0.88736864 1\n C C7 1 0.62047751 0.79581144 0.22033651 1\n C C8 1 0.12513006 0.47609800 0.39259769 1\n C C9 1 0.50481661 0.15268550 0.86984551 1\n C C10 1 0.68401814 0.18210405 0.70058874 1\n C C11 1 0.71443171 0.95973862 0.46581493 1\n C C12 1 0.14148561 0.68189368 0.70007749 1\n C C13 1 0.75553203 0.09029164 0.10659511 1\n C C14 1 0.29586943 0.83180762 0.39247159 1\n C C15 1 0.41599862 0.46502946 0.93961457 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43112000\n_cell_length_b 3.24888000\n_cell_length_c 8.39773000\n_cell_angle_alpha 62.45920000\n_cell_angle_beta 89.96682000\n_cell_angle_gamma 84.57630000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.47929538\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88992019 0.25809660 0.15699486 1\n C C1 1 0.88947154 0.26279176 0.32255560 1\n C C2 1 0.89199285 1.24290692 0.82609030 1\n C C3 1 0.39069229 0.25316063 0.57413507 1\n C C4 1 -0.10896574 1.24665632 0.65877883 1\n C C5 1 0.39075307 0.25349434 1.07433314 1\n C C6 1 0.39158611 0.24340880 0.90948717 1\n C C7 1 0.38937169 0.26063743 0.40642763 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.19211000\n_cell_length_b 4.24093000\n_cell_length_c 7.48395000\n_cell_angle_alpha 98.41578000\n_cell_angle_beta 110.32617000\n_cell_angle_gamma 103.03165000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 89.71565625\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24275449 0.67434538 0.42368254 1\n C C1 1 0.10402690 0.72140682 0.23275330 1\n C C2 1 0.15124013 0.11872672 0.89047971 1\n C C3 1 0.42719911 0.03066169 0.24475907 1\n C C4 1 0.44532271 0.42337241 0.87880900 1\n C C5 1 0.12170723 0.44799342 0.52782023 1\n C C6 1 0.44718650 0.57668258 0.73012835 1\n C C7 1 0.76962144 0.88705546 0.74235794 1\n C C8 1 0.72234191 0.48958586 0.08483906 1\n C C9 1 0.42785209 0.18521843 0.09635131 1\n C C10 1 0.75426401 0.15899465 0.44708839 1\n C C11 1 0.63152168 0.93405308 0.55152000 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42625000\n_cell_length_b 4.15559000\n_cell_length_c 6.59900000\n_cell_angle_alpha 67.02311000\n_cell_angle_beta 100.65087000\n_cell_angle_gamma 89.98663000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.00746547\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65305552 0.64782438 0.62530384 1\n C C1 1 0.19167342 0.09985492 0.69503652 1\n C C2 1 -0.13566530 0.71682755 0.03760701 1\n C C3 1 0.51772387 0.27071662 0.34275771 1\n C C4 1 1.31272908 0.85627725 0.93536132 1\n C C5 1 0.63478639 0.02413926 0.58313735 1\n C C6 1 -0.03335650 0.41155274 0.24085376 1\n C C7 1 0.16700951 0.47561568 0.65297169 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45316000\n_cell_length_b 6.02391000\n_cell_length_c 4.54407000\n_cell_angle_alpha 137.91651000\n_cell_angle_beta 105.53631000\n_cell_angle_gamma 78.32443000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.36002176\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28582114 0.74638740 0.07232134 1\n C C1 1 0.86526330 0.24728488 0.73055156 1\n C C2 1 0.39327193 0.05803239 0.59898847 1\n C C3 1 0.12389178 0.87235489 0.87576537 1\n C C4 1 0.55387419 0.93158781 0.79490899 1\n C C5 1 0.81418016 0.55722014 0.94106067 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48411000\n_cell_length_b 3.82521000\n_cell_length_c 5.22939000\n_cell_angle_alpha 98.98995000\n_cell_angle_beta 90.06487000\n_cell_angle_gamma 108.97465000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.34178817\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02294159 0.89366674 0.45156616 1\n C C1 1 -0.22654765 0.39215156 0.67492616 1\n C C2 1 0.98660063 0.82029468 0.73020381 1\n C C3 1 0.22457135 0.29725089 0.50940872 1\n C C4 1 0.59875380 0.04259519 0.83687857 1\n C C5 1 0.64866681 0.14832118 0.12423399 1\n C C6 1 0.26097932 0.37117305 0.23080849 1\n C C7 1 0.47411354 0.79891761 0.28611460 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47990000\n_cell_length_b 3.68896000\n_cell_length_c 4.21653000\n_cell_angle_alpha 104.68275000\n_cell_angle_beta 89.92645000\n_cell_angle_gamma 109.61637000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99956289\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63907636 0.98092231 0.36908362 1\n C C1 1 0.32092637 0.34222433 0.07185738 1\n C C2 1 0.10094644 0.89754955 0.86574110 1\n C C3 1 1.06062753 0.82419066 0.50042211 1\n C C4 1 0.52246693 0.74071542 0.99698507 1\n C C5 1 0.83984937 0.37941983 0.29445243 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47354000\n_cell_length_b 4.11791000\n_cell_length_c 6.54067000\n_cell_angle_alpha 89.99757000\n_cell_angle_beta 100.89322000\n_cell_angle_gamma 90.00107000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.42159785\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87328667 0.96658470 0.48279637 1\n C C1 1 0.20575994 -0.03350621 0.14890181 1\n C C2 1 0.53964523 0.96663383 0.81592211 1\n C C3 1 0.76200736 0.84029729 0.26059204 1\n C C4 1 1.09523833 0.46666106 0.92650155 1\n C C5 1 -0.12677319 0.34011386 0.48275038 1\n C C6 1 0.76191666 0.46648199 0.26058476 1\n C C7 1 0.20567788 0.34032134 0.14885677 1\n C C8 1 0.42910451 0.84018878 0.59369265 1\n C C9 1 0.42899376 0.46652532 0.59360613 1\n C C10 1 0.09525281 0.84019197 0.92657136 1\n C C11 1 0.53962663 0.34020017 0.81586818 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47364000\n_cell_length_b 4.23377000\n_cell_length_c 5.46039000\n_cell_angle_alpha 90.11814000\n_cell_angle_beta 89.96823000\n_cell_angle_gamma 89.98150000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.18556366\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06645113 0.53079553 0.74435717 1\n C C1 1 0.06647255 0.52931204 0.26821432 1\n C C2 1 0.06630953 0.39358084 0.00629809 1\n C C3 1 0.56669697 1.04205220 0.74525725 1\n C C4 1 0.56648935 0.37252813 0.37259111 1\n C C5 1 0.06668618 0.86927002 0.35185371 1\n C C6 1 0.56658300 0.17244748 1.00577012 1\n C C7 1 0.56675493 0.04106059 0.26565559 1\n C C8 1 0.56667193 0.37328584 0.64009817 1\n C C9 1 1.06684864 0.87023182 0.65784005 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48753000\n_cell_length_b 7.07596000\n_cell_length_c 6.61904000\n_cell_angle_alpha 123.30096000\n_cell_angle_beta 67.89132000\n_cell_angle_gamma 100.14998000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 90.14611546\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93247453 0.12493843 0.12474838 1\n C C1 1 0.67159141 0.36459387 0.00412450 1\n C C2 1 0.43494160 -0.01989047 0.04935803 1\n C C3 1 0.37792837 0.07755178 0.65282778 1\n C C4 1 0.66118742 0.83248304 0.74603424 1\n C C5 1 0.88065980 0.93274642 0.57731291 1\n C C6 1 0.51057953 0.29197580 0.62871055 1\n C C7 1 0.05291572 0.72390336 0.30126887 1\n C C8 1 0.90464210 0.40635612 0.79083471 1\n C C9 1 0.90448440 0.65169177 0.91199593 1\n C C10 1 0.30025632 0.76613212 1.07379551 1\n C C11 1 0.76063816 0.33415744 0.40073376 1\n C C12 1 0.51847452 0.57656544 0.26335418 1\n C C13 1 0.14905849 0.22521328 -0.04375151 1\n C C14 1 0.13874660 0.69331963 0.69873925 1\n C C15 1 0.29523463 0.48163249 0.43893789 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42974000\n_cell_length_b 3.19109000\n_cell_length_c 5.64857000\n_cell_angle_alpha 91.35832000\n_cell_angle_beta 100.58101000\n_cell_angle_gamma 93.30221000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.95387820\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23437712 0.13074359 0.22965592 1\n C C1 1 0.90081467 0.46139412 0.56371495 1\n C C2 1 0.67919682 0.02138395 1.11772624 1\n C C3 1 0.56756417 0.79232481 0.89760927 1\n C C4 1 0.01239203 0.68326950 0.78561891 1\n C C5 1 0.34571030 1.35225613 0.45167491 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44615000\n_cell_length_b 4.56945000\n_cell_length_c 6.37665000\n_cell_angle_alpha 86.37844000\n_cell_angle_beta 101.06974000\n_cell_angle_gamma 105.46153000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.41235949\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78878994 0.55809597 0.49877172 1\n C C1 1 -0.06491657 0.38298263 0.96465909 1\n C C2 1 0.56152300 0.85365263 0.75885939 1\n C C3 1 -0.11199456 0.86770706 0.38991922 1\n C C4 1 0.58254967 0.34389857 0.30171604 1\n C C5 1 1.14928298 -0.00496543 0.79330871 1\n C C6 1 0.35838194 0.55213616 0.64354822 1\n C C7 1 0.34463237 0.32771369 0.83991684 1\n C C8 1 0.04419723 0.39430444 0.17486475 1\n C C9 1 0.44361739 0.01132958 0.35628994 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43120000\n_cell_length_b 4.02183000\n_cell_length_c 6.22362000\n_cell_angle_alpha 70.82439000\n_cell_angle_beta 93.77282000\n_cell_angle_gamma 92.90092000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.32565825\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54021545 -0.00115772 0.86675150 1\n C C1 1 1.04025340 0.49861756 0.61655302 1\n C C2 1 0.54016703 0.99856010 0.36645604 1\n C C3 1 1.04029672 0.49877862 0.11669328 1\n C C4 1 0.54033565 0.33025017 0.19919174 1\n C C5 1 0.54036260 0.33024811 0.69918894 1\n C C6 1 0.04036697 0.83043983 0.44950453 1\n C C7 1 0.04041438 0.83073033 0.94978774 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47853000\n_cell_length_b 2.47764000\n_cell_length_c 6.31099000\n_cell_angle_alpha 78.69142000\n_cell_angle_beta 90.00030000\n_cell_angle_gamma 59.96419000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67880886\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16509195 0.27146509 0.06046632 1\n C C1 1 0.30380464 -0.01010276 0.47924087 1\n C C2 1 1.07955335 0.43974749 0.80958952 1\n C C3 1 0.52691092 0.54773720 0.14439770 1\n C C4 1 0.60990232 0.37861867 0.39550991 1\n C C5 1 0.38509492 0.82767781 0.72664888 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.12141000\n_cell_length_b 4.79394000\n_cell_length_c 9.99409000\n_cell_angle_alpha 82.44521000\n_cell_angle_beta 86.09562000\n_cell_angle_gamma 89.92273000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 147.90347754\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06427693 1.02785567 0.33938310 1\n C C1 1 0.30378025 0.14218793 0.21620006 1\n C C2 1 0.48739192 0.30352690 0.64206039 1\n C C3 1 0.82782964 0.05894654 0.94658415 1\n C C4 1 0.83115479 0.09471291 0.45810822 1\n C C5 1 0.28092488 0.65172154 0.23215766 1\n C C6 1 0.34618479 0.04219248 0.71271953 1\n C C7 1 0.42425461 -0.09729310 0.15309443 1\n C C8 1 -0.17387525 0.61060521 0.46408809 1\n C C9 1 0.39800086 0.42177800 0.16592155 1\n C C10 1 0.64893959 0.83949057 0.03471441 1\n C C11 1 0.34673129 0.52717518 0.71389154 1\n C C12 1 0.82001688 0.36600373 0.95063262 1\n C C13 1 0.69377240 0.83493794 0.53330773 1\n C C14 1 0.09758939 0.40054647 0.82723683 1\n C C15 1 0.45044218 0.80068539 0.65684373 1\n C C16 1 1.10116567 0.10486179 0.82582856 1\n C C17 1 0.72395723 0.33652608 0.51635124 1\n C C18 1 0.05321008 0.72921318 0.34536402 1\n C C19 1 0.63820176 0.53307030 0.04056612 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48809000\n_cell_length_b 4.30488000\n_cell_length_c 4.30336000\n_cell_angle_alpha 80.42333000\n_cell_angle_beta 89.98203000\n_cell_angle_gamma 106.78321000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.45750516\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04682127 0.30713857 0.94933165 1\n C C1 1 0.54701098 0.30713912 0.44933019 1\n C C2 1 0.29688395 0.80716623 0.19919368 1\n C C3 1 0.11021802 0.43229867 0.26222520 1\n C C4 1 0.60993593 0.43226327 0.76221899 1\n C C5 1 0.35980890 0.93229038 0.51208248 1\n C C6 1 0.85999861 0.93229093 1.01208103 1\n C C7 1 0.79660186 0.80713083 0.69918747 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48905000\n_cell_length_b 4.97561000\n_cell_length_c 4.30464000\n_cell_angle_alpha 106.79219000\n_cell_angle_beta 89.98605000\n_cell_angle_gamma 120.02799000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.51245875\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46038639 0.65438296 0.24688635 1\n C C1 1 -0.03957948 0.65435797 0.74682020 1\n C C2 1 0.46032923 0.15432620 0.24705375 1\n C C3 1 0.33572308 0.52930549 -0.12819402 1\n C C4 1 0.83563179 1.02927371 0.37203953 1\n C C5 1 -0.03951356 0.15442385 0.74711494 1\n C C6 1 0.83556587 0.52920784 0.37174479 1\n C C7 1 0.33566592 1.02924873 0.87197338 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46347000\n_cell_length_b 5.51352000\n_cell_length_c 7.27743000\n_cell_angle_alpha 109.67907000\n_cell_angle_beta 99.71173000\n_cell_angle_gamma 90.03629000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.56204733\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43887150 0.28536230 0.10674903 1\n C C1 1 0.74141750 0.77938980 0.71582252 1\n C C2 1 0.11992214 0.91355343 0.46687031 1\n C C3 1 -0.21301601 0.44347347 0.80143369 1\n C C4 1 0.69548164 0.50120530 0.61810743 1\n C C5 1 0.78169298 0.18607236 0.78776142 1\n C C6 1 1.06445525 0.61117728 0.36258809 1\n C C7 1 0.48868437 1.07553706 0.21285693 1\n C C8 1 0.12715884 0.42341583 0.48378491 1\n C C9 1 1.05529511 1.11610484 0.34552107 1\n C C10 1 0.40040835 0.80080069 0.03855241 1\n C C11 1 0.30592646 0.85936695 0.84607697 1\n C C12 1 0.68587388 0.95984027 0.59745582 1\n C C13 1 0.88941473 0.62817963 0.01606676 1\n C C14 1 0.33290757 0.13845869 0.89233490 1\n C C15 1 0.96041620 0.46392650 0.15219275 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51027000\n_cell_length_b 4.72732000\n_cell_length_c 6.40489000\n_cell_angle_alpha 89.80032000\n_cell_angle_beta 78.61461000\n_cell_angle_gamma 105.32233000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.73710038\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05023893 0.37332642 0.44588358 1\n C C1 1 0.89875982 0.49634242 0.87145287 1\n C C2 1 0.80901398 0.55503102 0.10804441 1\n C C3 1 0.51826631 0.61883195 0.75752526 1\n C C4 1 0.18407714 0.39069654 0.19648431 1\n C C5 1 0.59870125 0.54216965 0.51816685 1\n C C6 1 0.11594013 0.11897252 1.06279821 1\n C C7 1 0.69837092 0.95887000 0.74224269 1\n C C8 1 0.70672221 0.15654456 0.91820774 1\n C C9 1 0.80020737 0.83360688 0.40164086 1\n C C10 1 0.85441671 0.06432189 0.53334871 1\n C C11 1 0.91459175 0.84588485 0.18686621 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44125000\n_cell_length_b 6.26467000\n_cell_length_c 6.24185000\n_cell_angle_alpha 122.49142000\n_cell_angle_beta 89.95535000\n_cell_angle_gamma 101.30466000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.32314075\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74204918 0.82477919 0.05411014 1\n C C1 1 0.94114381 0.21345345 1.00110176 1\n C C2 1 0.94777117 0.23397925 0.61009614 1\n C C3 1 0.42356088 0.17680136 1.08750096 1\n C C4 1 0.61387455 0.56362470 0.03159994 1\n C C5 1 0.02854928 0.39145222 0.90158728 1\n C C6 1 0.64097433 0.62785215 0.29668456 1\n C C7 1 0.71009796 0.76065426 0.78886321 1\n C C8 1 0.40696991 0.15388128 0.47747259 1\n C C9 1 0.32874378 0.99704120 0.18533213 1\n C C10 1 0.16217705 0.66949762 0.42060437 1\n C C11 1 0.18951260 0.71958411 0.66523592 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46408000\n_cell_length_b 3.79766000\n_cell_length_c 7.37148000\n_cell_angle_alpha 84.03634000\n_cell_angle_beta 99.66257000\n_cell_angle_gamma 108.94803000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.22667625\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53529053 0.36077844 0.86207455 1\n C C1 1 0.41735447 0.52066315 0.46972943 1\n C C2 1 0.36098605 0.60640984 0.26962885 1\n C C3 1 0.34733271 0.94221099 0.90478179 1\n C C4 1 0.66341201 0.89520324 0.58850164 1\n C C5 1 0.18830578 0.82589155 0.70555214 1\n C C6 1 0.01084460 0.43003195 0.74453187 1\n C C7 1 0.84030167 0.65495122 0.18022580 1\n C C8 1 0.85193720 0.31401358 0.54474367 1\n C C9 1 0.78166189 0.73605234 0.98019115 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.62743000\n_cell_length_b 3.64061000\n_cell_length_c 3.71135000\n_cell_angle_alpha 82.13697000\n_cell_angle_beta 67.68740000\n_cell_angle_gamma 96.37948000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.19959968\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51935844 0.54671834 0.36770430 1\n C C1 1 0.46007485 1.04496548 0.86659076 1\n C C2 1 0.24478962 0.23964122 0.67810227 1\n C C3 1 0.86420727 0.23942010 0.67827689 1\n C C4 1 0.30380720 0.74105383 0.17930424 1\n C C5 1 0.89964251 0.54672383 0.36767445 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45209000\n_cell_length_b 3.43768000\n_cell_length_c 7.75343000\n_cell_angle_alpha 102.01212000\n_cell_angle_beta 103.07720000\n_cell_angle_gamma 94.34977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.92983860\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19612624 0.51526392 0.28726699 1\n C C1 1 0.58017125 -0.10114370 0.12087674 1\n C C2 1 0.59158164 0.38433074 0.40254815 1\n C C3 1 0.79431862 0.09730419 0.84546108 1\n C C4 1 0.84444812 0.16180990 0.28683315 1\n C C5 1 0.58555786 0.89540608 0.93914703 1\n C C6 1 -0.11238300 0.71705742 0.52818999 1\n C C7 1 0.29440113 0.59873079 0.82354188 1\n C C8 1 0.40984991 0.19586558 0.52815291 1\n C C9 1 0.09618938 0.40983832 0.92564288 1\n C C10 1 0.62881087 0.93154754 0.64391398 1\n C C11 1 0.07210677 -0.09373124 0.40343912 1\n C C12 1 0.27692464 0.58082275 0.63391143 1\n C C13 1 0.27754697 0.60219749 0.11684379 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51276000\n_cell_length_b 4.19210000\n_cell_length_c 4.11338000\n_cell_angle_alpha 119.35098000\n_cell_angle_beta 90.06346000\n_cell_angle_gamma 107.70803000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.38429779\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79889110 0.26168251 0.73986593 1\n C C1 1 0.60897605 0.87391436 0.39580196 1\n C C2 1 0.41377079 0.48595773 0.72125230 1\n C C3 1 0.60958413 0.87413363 0.06577617 1\n C C4 1 0.41375655 0.48587844 0.35221876 1\n C C5 1 0.79907858 0.26208413 0.10931539 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46928000\n_cell_length_b 3.59724000\n_cell_length_c 7.24482000\n_cell_angle_alpha 104.37331000\n_cell_angle_beta 99.78730000\n_cell_angle_gamma 89.98926000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.37165585\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60900220 0.67320976 0.41695193 1\n C C1 1 0.80315297 0.67016617 0.82036476 1\n C C2 1 0.24193736 0.51678481 0.69705975 1\n C C3 1 0.88366478 0.45243225 0.97540487 1\n C C4 1 0.16933758 0.73577782 0.54252480 1\n C C5 1 0.53079606 0.89722923 0.25948264 1\n C C6 1 0.53142981 0.29245232 0.25951483 1\n C C7 1 0.44838143 0.51573689 0.10107625 1\n C C8 1 0.24139278 0.10832302 0.69727828 1\n C C9 1 0.80292172 0.07848402 0.82057380 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43185000\n_cell_length_b 4.64156000\n_cell_length_c 3.99458000\n_cell_angle_alpha 95.85036000\n_cell_angle_beta 89.77784000\n_cell_angle_gamma 74.35140000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.16855241\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11682007 0.19221999 0.26228527 1\n C C1 1 0.21683095 0.52440123 0.92699509 1\n C C2 1 0.55002253 0.85795861 0.59392039 1\n C C3 1 1.10453478 0.74829363 0.70777621 1\n C C4 1 0.43830518 0.08167105 0.37446830 1\n C C5 1 0.77189904 0.41385128 0.03941713 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42290000\n_cell_length_b 4.03907000\n_cell_length_c 5.83011000\n_cell_angle_alpha 119.49878000\n_cell_angle_beta 99.81780000\n_cell_angle_gamma 109.02392000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.97996003\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10303951 0.44602977 0.45666753 1\n C C1 1 0.89700784 0.77959914 0.12259464 1\n C C2 1 0.56354341 0.66754840 0.56720098 1\n C C3 1 0.89714678 0.11286608 0.78960873 1\n C C4 1 0.56348426 0.00071503 0.23405758 1\n C C5 1 0.56351392 0.33431388 0.89997873 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46549000\n_cell_length_b 3.38784000\n_cell_length_c 5.26704000\n_cell_angle_alpha 91.84631000\n_cell_angle_beta 89.99811000\n_cell_angle_gamma 68.68559000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.96020174\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12176446 0.13044597 0.34917196 1\n C C1 1 0.46995461 0.94653408 0.22402111 1\n C C2 1 0.28913996 0.31231926 0.02490176 1\n C C3 1 0.32436442 0.24093963 0.75017245 1\n C C4 1 0.84437178 0.20081628 0.62407256 1\n C C5 1 0.69738901 0.49616818 0.15045867 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51197000\n_cell_length_b 4.19011000\n_cell_length_c 4.19001000\n_cell_angle_alpha 121.24935000\n_cell_angle_beta 107.66324000\n_cell_angle_gamma 72.44910000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.35888314\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61340559 0.02119013 -0.03237585 1\n C C1 1 0.22682469 0.77786478 0.94825824 1\n C C2 1 0.42037993 0.73387893 0.29253649 1\n C C3 1 0.61346411 0.38959616 0.33629991 1\n C C4 1 0.22676616 0.40945875 0.57958248 1\n C C5 1 0.41985035 0.06517599 0.62334590 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45640000\n_cell_length_b 3.66076000\n_cell_length_c 6.37145000\n_cell_angle_alpha 75.13149000\n_cell_angle_beta 89.95745000\n_cell_angle_gamma 70.36070000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.92365117\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.22773617 0.48814356 1.07833984 1\n C C1 1 -0.01830249 0.98087984 0.65416096 1\n C C2 1 -0.12068379 1.18260108 0.41833089 1\n C C3 1 0.38136213 0.18027171 0.93946004 1\n C C4 1 0.60656487 0.73265027 0.99101865 1\n C C5 1 0.32625541 0.28884058 0.31417166 1\n C C6 1 0.60474743 0.73695650 0.74129698 1\n C C7 1 0.82738097 0.28973356 0.79292268 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48485000\n_cell_length_b 4.78106000\n_cell_length_c 4.67933000\n_cell_angle_alpha 87.73405000\n_cell_angle_beta 74.57888000\n_cell_angle_gamma 58.65841000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.43968548\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08944833 0.47080126 0.60613477 1\n C C1 1 0.71599255 0.30089111 0.69206880 1\n C C2 1 1.19283083 0.53894273 0.26545061 1\n C C3 1 0.12974455 0.94512876 0.57717825 1\n C C4 1 0.33945578 0.00693188 0.03549032 1\n C C5 1 0.61465682 0.23271482 1.03299390 1\n C C6 1 0.67628021 0.82608587 0.72187469 1\n C C7 1 0.46694441 0.76515357 0.26354705 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46145000\n_cell_length_b 5.41573000\n_cell_length_c 5.58697000\n_cell_angle_alpha 74.44449000\n_cell_angle_beta 125.35929000\n_cell_angle_gamma 114.39024000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.27573000\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27324821 0.46798459 0.04817061 1\n C C1 1 0.87202050 0.62074775 0.33251399 1\n C C2 1 -0.18215773 -0.13427110 0.81901952 1\n C C3 1 0.61270432 0.54674243 0.87028402 1\n C C4 1 0.15763774 0.94456238 0.64117517 1\n C C5 1 0.08150011 0.40402818 0.57477742 1\n C C6 1 1.06355466 0.17934438 0.17302838 1\n C C7 1 0.35028262 1.00930097 0.11410017 1\n C C8 1 0.36788607 0.23368874 0.51563350 1\n C C9 1 0.55865740 0.79248128 0.35610042 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49249000\n_cell_length_b 5.73138000\n_cell_length_c 8.78658000\n_cell_angle_alpha 66.32338000\n_cell_angle_beta 81.04893000\n_cell_angle_gamma 68.41311000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 106.88706936\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45174502 0.54885803 0.87524294 1\n C C1 1 0.67579066 0.33189109 0.81487301 1\n C C2 1 0.31804511 0.51765078 1.04768799 1\n C C3 1 1.03748321 0.64727339 0.26908017 1\n C C4 1 0.69412403 0.22427783 0.46775103 1\n C C5 1 0.80265001 0.92685735 0.28973128 1\n C C6 1 0.35829277 1.03470320 0.73566807 1\n C C7 1 1.03973738 0.77706188 0.07962769 1\n C C8 1 0.40220580 0.95404198 0.03852676 1\n C C9 1 0.21446719 0.06687722 0.18501197 1\n C C10 1 0.51916580 0.77585345 0.74740535 1\n C C11 1 0.12849494 0.24886923 0.56928786 1\n C C12 1 0.67223133 0.46433779 0.30162062 1\n C C13 1 0.29969755 0.14970879 0.86165193 1\n C C14 1 0.76972832 0.95262422 0.45210915 1\n C C15 1 0.79477807 0.46639912 0.63085872 1\n C C16 1 0.68839387 0.73825592 0.59279858 1\n C C17 1 0.89878925 0.37108462 0.14547089 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43084000\n_cell_length_b 4.29535000\n_cell_length_c 4.28968000\n_cell_angle_alpha 96.67398000\n_cell_angle_beta 78.00849000\n_cell_angle_gamma 94.29252000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.45629529\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12994263 0.69393610 0.51372826 1\n C C1 1 0.79727281 1.02658932 1.17896951 1\n C C2 1 0.35313793 0.13903333 1.06795166 1\n C C3 1 0.68614171 0.80664579 0.40256785 1\n C C4 1 0.46422537 0.35795933 0.84328789 1\n C C5 1 0.02020445 0.47054303 0.73234904 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26287000\n_cell_length_b 3.42661000\n_cell_length_c 5.75144000\n_cell_angle_alpha 69.97200000\n_cell_angle_beta 55.46247000\n_cell_angle_gamma 89.98362000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.18077991\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63961697 0.10888005 0.94872663 1\n C C1 1 0.26091332 0.77176348 -0.02082234 1\n C C2 1 0.77519645 0.57713730 0.31307830 1\n C C3 1 0.88929242 0.77181588 0.47909669 1\n C C4 1 0.45726354 0.91408190 0.28263536 1\n C C5 1 0.70690993 0.57717423 0.81296872 1\n C C6 1 0.08548200 0.91402776 0.78261561 1\n C C7 1 0.57117576 0.10892851 0.44869174 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43227000\n_cell_length_b 4.01775000\n_cell_length_c 4.61868000\n_cell_angle_alpha 95.87547000\n_cell_angle_beta 105.15552000\n_cell_angle_gamma 89.61834000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.32674751\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78958829 0.52183006 0.25612945 1\n C C1 1 0.56805524 -0.03067434 0.81320786 1\n C C2 1 1.12334205 0.85757744 -0.07545618 1\n C C3 1 0.23444298 0.63390599 0.14525139 1\n C C4 1 -0.09940893 0.29985287 0.47794803 1\n C C5 1 0.45548926 0.18692048 0.58845284 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47959000\n_cell_length_b 4.07806000\n_cell_length_c 9.57416000\n_cell_angle_alpha 77.81503000\n_cell_angle_beta 97.54981000\n_cell_angle_gamma 89.99136000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.77282621\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21339303 0.39810208 0.34219623 1\n C C1 1 0.63580907 1.11873657 0.18911055 1\n C C2 1 0.86623028 0.76440951 0.62795193 1\n C C3 1 0.02562163 0.46970039 0.94644963 1\n C C4 1 0.33989751 -0.04378131 0.57738394 1\n C C5 1 0.57760459 0.91227290 0.06497966 1\n C C6 1 0.07736250 0.68035123 0.06450326 1\n C C7 1 0.13516950 0.35356742 0.18755091 1\n C C8 1 0.25014941 0.03659868 0.41200910 1\n C C9 1 0.36173388 0.27706589 0.61998355 1\n C C10 1 0.52582066 0.23815368 0.94665628 1\n C C11 1 -0.05502741 0.54687539 0.77769640 1\n C C12 1 0.82770924 0.46737054 0.55645913 1\n C C13 1 0.44405215 0.33167310 0.77531842 1\n C C14 1 0.73729453 0.54991018 0.38916040 1\n C C15 1 0.71605371 0.91779885 0.34703331 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63317000\n_cell_length_b 3.60050000\n_cell_length_c 3.83967000\n_cell_angle_alpha 99.33155000\n_cell_angle_beta 111.37761000\n_cell_angle_gamma 96.49754000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.33459483\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26767616 0.74821244 0.47871548 1\n C C1 1 0.86228955 0.55404367 0.28656210 1\n C C2 1 0.70768230 0.24760416 0.97928890 1\n C C3 1 0.64826281 0.74874968 0.47810609 1\n C C4 1 0.30233167 0.05339497 0.78696948 1\n C C5 1 0.92150941 0.05243218 0.78778695 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43731000\n_cell_length_b 4.22006000\n_cell_length_c 6.52739000\n_cell_angle_alpha 85.48020000\n_cell_angle_beta 100.83342000\n_cell_angle_gamma 90.00480000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.72903240\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26905040 0.50544752 0.03583727 1\n C C1 1 0.94760743 0.58655737 0.37784128 1\n C C2 1 0.05794507 0.49321917 0.60696596 1\n C C3 1 0.94452619 0.93991891 0.36074628 1\n C C4 1 0.71938725 0.36478543 0.93901122 1\n C C5 1 0.43730249 0.09905739 0.34458096 1\n C C6 1 -0.27791438 0.01183297 0.95543219 1\n C C7 1 0.39788401 0.44615168 0.28095720 1\n C C8 1 0.60898737 0.45558333 0.70928404 1\n C C9 1 0.22972587 0.85276352 -0.02755400 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47719000\n_cell_length_b 2.47704000\n_cell_length_c 7.21928000\n_cell_angle_alpha 99.86713000\n_cell_angle_beta 110.07770000\n_cell_angle_gamma 120.00137000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67071097\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52057559 1.14093241 0.65629290 1\n C C1 1 0.29607827 0.36047244 0.32149210 1\n C C2 1 0.87849836 0.02644677 0.07071941 1\n C C3 1 0.10243649 -0.19406155 0.40555222 1\n C C4 1 0.40557865 0.24870335 0.98710785 1\n C C5 1 0.99335563 -0.08087491 0.73981642 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47528000\n_cell_length_b 4.18315000\n_cell_length_c 4.79510000\n_cell_angle_alpha 115.88208000\n_cell_angle_beta 90.00124000\n_cell_angle_gamma 89.99933000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.67046081\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28379244 0.29169648 0.39368599 1\n C C1 1 0.28375988 -0.07754162 0.39379761 1\n C C2 1 0.78373587 0.67727967 0.90513531 1\n C C3 1 0.78383078 1.04805617 0.90500232 1\n C C4 1 0.78372068 0.49933294 0.54896177 1\n C C5 1 0.28376165 0.62537366 0.06048322 1\n C C6 1 0.28387412 0.25578488 0.06056266 1\n C C7 1 0.78376009 0.87034060 0.54890012 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46661000\n_cell_length_b 3.62551000\n_cell_length_c 6.51688000\n_cell_angle_alpha 74.64949000\n_cell_angle_beta 82.52906000\n_cell_angle_gamma 62.35400000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.78151860\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94668577 0.38813986 0.07620423 1\n C C1 1 0.44603742 0.45385297 0.94759510 1\n C C2 1 0.78462199 0.07754999 0.44956126 1\n C C3 1 0.43444916 0.57373802 0.73709461 1\n C C4 1 0.09354887 0.95074250 0.23512780 1\n C C5 1 0.93357267 0.63937744 0.60853613 1\n C C6 1 0.08714808 0.35052180 0.44896384 1\n C C7 1 0.79039404 0.67816622 0.23556094 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43216000\n_cell_length_b 3.91944000\n_cell_length_c 4.79576000\n_cell_angle_alpha 94.44432000\n_cell_angle_beta 72.70957000\n_cell_angle_gamma 87.26151000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.39884075\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35969381 0.65074413 0.91835188 1\n C C1 1 0.69189990 0.32029877 0.25372318 1\n C C2 1 0.02602560 0.98493330 0.58575076 1\n C C3 1 0.13669285 0.20818481 0.36407991 1\n C C4 1 0.47106922 0.87237185 0.69577221 1\n C C5 1 0.80483072 0.53779025 0.02842186 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45225000\n_cell_length_b 4.91542000\n_cell_length_c 4.86028000\n_cell_angle_alpha 90.03352000\n_cell_angle_beta 90.00055000\n_cell_angle_gamma 89.99381000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.58502076\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86335242 0.84775222 0.70084067 1\n C C1 1 0.86331185 0.30343978 0.37200256 1\n C C2 1 0.86351601 0.13860347 0.11786696 1\n C C3 1 -0.13651642 0.30727688 0.87193513 1\n C C4 1 0.36327303 0.67629439 0.63456391 1\n C C5 1 -0.13666155 0.84794854 0.04399169 1\n C C6 1 0.36331775 0.67650498 0.11092978 1\n C C7 1 0.36315433 0.50691910 0.37245856 1\n C C8 1 0.86350102 0.13828042 0.62588318 1\n C C9 1 0.36340105 0.48430541 0.87241738 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46176000\n_cell_length_b 3.39292000\n_cell_length_c 6.06984000\n_cell_angle_alpha 60.63274000\n_cell_angle_beta 78.29411000\n_cell_angle_gamma 68.73553000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.15585379\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05287188 0.58396766 0.88945872 1\n C C1 1 0.39335493 0.27997417 0.29147455 1\n C C2 1 -0.02595860 0.79522688 0.61404307 1\n C C3 1 0.56894734 0.73113744 0.48740327 1\n C C4 1 0.43257650 0.48652334 0.01618713 1\n C C5 1 0.79732701 0.34513680 0.41777706 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.48926000\n_cell_length_b 4.08014000\n_cell_length_c 4.60343000\n_cell_angle_alpha 128.66832000\n_cell_angle_beta 136.42509000\n_cell_angle_gamma 59.58406000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.15458221\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15144509 -0.10393015 0.18244383 1\n C C1 1 0.78343995 0.87320444 0.10973084 1\n C C2 1 0.29898041 0.32343512 0.59772318 1\n C C3 1 -0.04474222 1.05244172 0.61803661 1\n C C4 1 0.52177769 0.57642332 0.36288371 1\n C C5 1 0.97959689 0.71698839 0.67418173 1\n C C6 1 0.41320498 0.19279297 0.92913748 1\n C C7 1 0.63587471 0.44583439 0.69432073 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43138000\n_cell_length_b 4.20633000\n_cell_length_c 5.83292000\n_cell_angle_alpha 74.22420000\n_cell_angle_beta 88.11566000\n_cell_angle_gamma 90.06088000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.37320907\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54725204 0.26401663 1.10765504 1\n C C1 1 0.04727809 0.76402569 0.10765136 1\n C C2 1 0.98682499 -0.09964814 0.60997684 1\n C C3 1 -0.01300744 0.23392089 0.60821698 1\n C C4 1 0.04712182 0.43041834 1.10947533 1\n C C5 1 0.48685853 0.40032748 0.60998765 1\n C C6 1 0.54708968 0.93046362 0.10945077 1\n C C7 1 0.48701258 0.73391309 0.60819843 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.03842000\n_cell_length_b 4.69559000\n_cell_length_c 5.63486000\n_cell_angle_alpha 96.04225000\n_cell_angle_beta 104.65520000\n_cell_angle_gamma 58.25882000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.86419281\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66297485 1.10844329 0.77312811 1\n C C1 1 0.15896796 -0.05719894 0.44623318 1\n C C2 1 0.31887613 0.10800001 1.13062711 1\n C C3 1 0.41683749 0.20343135 -0.06899619 1\n C C4 1 0.57954011 0.36156277 0.61166923 1\n C C5 1 0.82453513 0.27441820 0.44531388 1\n C C6 1 0.08748767 0.52882146 -0.07179785 1\n C C7 1 0.40845764 0.85483073 0.28257598 1\n C C8 1 -0.00659293 0.78036948 0.77261866 1\n C C9 1 0.24459203 0.69276463 0.61059151 1\n C C10 1 0.73949307 0.52709820 0.28246803 1\n C C11 1 0.99045325 0.43390563 1.12847655 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.63666000\n_cell_length_b 4.19670000\n_cell_length_c 6.40732000\n_cell_angle_alpha 49.17800000\n_cell_angle_beta 89.91441000\n_cell_angle_gamma 90.12038000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.65169415\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52643506 0.88246272 0.79717200 1\n C C1 1 0.52656285 0.38246278 0.29717070 1\n C C2 1 0.52639900 0.79679791 0.04833774 1\n C C3 1 0.52664387 1.04680298 0.29833232 1\n C C4 1 0.52639972 0.29679894 0.54833643 1\n C C5 1 0.52651608 0.54680292 0.79833362 1\n C C6 1 0.52667993 0.13246779 0.04716658 1\n C C7 1 0.52667921 0.63246676 0.54716789 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.24811000\n_cell_length_b 3.63052000\n_cell_length_c 3.28438000\n_cell_angle_alpha 75.45051000\n_cell_angle_beta 99.12400000\n_cell_angle_gamma 104.29888000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.13418703\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01981083 0.25474351 0.07513812 1\n C C1 1 0.24818052 0.63671233 0.12853629 1\n C C2 1 0.19345712 0.01865447 0.86066055 1\n C C3 1 0.61933524 0.25564905 0.71380919 1\n C C4 1 0.56418285 0.63758000 0.44749478 1\n C C5 1 -0.16744451 0.01942944 0.50010036 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48448000\n_cell_length_b 4.67917000\n_cell_length_c 4.08596000\n_cell_angle_alpha 83.33759000\n_cell_angle_beta 90.00507000\n_cell_angle_gamma 74.61138000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.46462444\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50878740 0.90081429 0.76077238 1\n C C1 1 0.17966454 0.55804610 0.46661797 1\n C C2 1 0.72144556 0.47256009 0.29600909 1\n C C3 1 0.39205371 0.12888585 1.00237890 1\n C C4 1 0.23585491 0.44262629 0.82211177 1\n C C5 1 0.89075837 0.13137646 0.22795556 1\n C C6 1 1.00992703 -0.10125352 0.53382962 1\n C C7 1 0.66402788 0.58730653 0.94018880 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35761000\n_cell_length_b 4.17199000\n_cell_length_c 6.09313000\n_cell_angle_alpha 86.02999000\n_cell_angle_beta 87.46734000\n_cell_angle_gamma 71.43269000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.69321660\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01936801 0.79335487 0.43102575 1\n C C1 1 0.74552061 0.41081274 0.30658477 1\n C C2 1 0.33703723 0.71711357 0.80722258 1\n C C3 1 0.41188314 0.02502832 0.14649421 1\n C C4 1 0.98962660 0.58940227 -0.08449521 1\n C C5 1 0.64371212 1.08154112 0.34408978 1\n C C6 1 0.09577900 0.41057147 0.13543296 1\n C C7 1 0.35228634 1.17552235 0.54912613 1\n C C8 1 0.32122456 0.67815310 0.24638426 1\n C C9 1 -0.05653968 0.48205317 0.51352980 1\n C C10 1 0.59637935 -0.08955260 -0.07669306 1\n C C11 1 0.74392427 0.46577078 0.74318776 1\n C C12 1 0.12151686 0.93824551 0.62408072 1\n C C13 1 0.68843609 0.13317053 0.72898694 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49951000\n_cell_length_b 4.25955000\n_cell_length_c 4.84233000\n_cell_angle_alpha 111.52140000\n_cell_angle_beta 89.96107000\n_cell_angle_gamma 90.00085000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.96084643\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06305260 0.70594262 0.79691586 1\n C C1 1 0.56288594 0.29238626 0.00228582 1\n C C2 1 1.06248996 0.77193646 0.28816923 1\n C C3 1 0.56292592 0.91061681 0.92263246 1\n C C4 1 0.06281251 0.47641727 0.97597427 1\n C C5 1 0.56285645 0.33828488 0.34254984 1\n C C6 1 0.06278156 0.54300432 0.46813675 1\n C C7 1 0.56259635 -0.04369242 0.26247967 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.48777000\n_cell_length_b 3.88449000\n_cell_length_c 6.71406000\n_cell_angle_alpha 93.18047000\n_cell_angle_beta 73.23040000\n_cell_angle_gamma 93.17885000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.88684492\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33884324 0.37439280 0.82796265 1\n C C1 1 0.63861627 0.21952879 0.67274371 1\n C C2 1 0.93716346 0.37315104 0.51785016 1\n C C3 1 1.01820496 0.86405274 -0.01200178 1\n C C4 1 0.25691809 0.23116509 0.35728619 1\n C C5 1 0.01890045 0.23228954 0.98803238 1\n C C6 1 0.25655140 0.86299257 0.35699184 1\n C C7 1 0.80764139 0.54746204 0.09022368 1\n C C8 1 0.46768445 0.54661153 0.25502097 1\n C C9 1 -0.06336893 0.72181814 0.51708740 1\n C C10 1 0.63725269 0.87686367 0.67230354 1\n C C11 1 0.33821974 0.72299505 0.82727047 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46630000\n_cell_length_b 7.17201000\n_cell_length_c 8.81726000\n_cell_angle_alpha 132.44617000\n_cell_angle_beta 89.99285000\n_cell_angle_gamma 110.13560000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 101.80288481\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05801733 0.90113538 1.09042601 1\n C C1 1 0.36425558 0.20673429 0.27799903 1\n C C2 1 0.82686312 0.67007637 0.48696658 1\n C C3 1 0.59332262 0.43395566 0.88205013 1\n C C4 1 0.86080905 0.70164430 1.11248979 1\n C C5 1 0.31801978 0.16114595 0.80692352 1\n C C6 1 -0.02764884 0.31507016 0.42270818 1\n C C7 1 -0.06070713 0.27934830 0.57166231 1\n C C8 1 0.36499907 0.70610457 0.21979396 1\n C C9 1 0.60135709 0.44102943 0.72069503 1\n C C10 1 0.62865978 -0.02990879 0.47322384 1\n C C11 1 1.10319155 0.94479274 0.55939747 1\n C C12 1 0.79514380 0.13829819 0.89736876 1\n C C13 1 0.49675860 0.83895330 0.80918164 1\n C C14 1 0.06115082 0.40510814 0.14784020 1\n C C15 1 0.56105414 0.40512130 0.24625669 1\n C C16 1 0.29321373 0.63631092 0.56499812 1\n C C17 1 0.92509591 0.76663340 0.86424734 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.69121000\n_cell_length_b 4.24591000\n_cell_length_c 4.80967000\n_cell_angle_alpha 72.09727000\n_cell_angle_beta 88.55305000\n_cell_angle_gamma 121.67860000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.30658474\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98716495 0.63431211 0.60493675 1\n C C1 1 0.42745577 1.07436485 0.10608100 1\n C C2 1 1.04398381 0.69165437 1.10632263 1\n C C3 1 0.77534070 0.42093726 0.41320796 1\n C C4 1 0.39142469 0.03827384 0.41333398 1\n C C5 1 -0.16859712 0.47821748 0.91483887 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26913000\n_cell_length_b 3.63106000\n_cell_length_c 3.27493000\n_cell_angle_alpha 104.51654000\n_cell_angle_beta 80.82859000\n_cell_angle_gamma 104.46583000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.24586808\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69734765 -0.01258116 0.08931650 1\n C C1 1 0.06930012 0.60603394 0.50560941 1\n C C2 1 0.75237904 0.60578176 0.82295684 1\n C C3 1 0.33618052 -0.01240064 0.45066767 1\n C C4 1 0.12315027 0.22486189 0.23669396 1\n C C5 1 0.48370321 0.22466501 0.87641771 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48688000\n_cell_length_b 3.51599000\n_cell_length_c 4.30358000\n_cell_angle_alpha 114.10253000\n_cell_angle_beta 106.78251000\n_cell_angle_gamma 90.00566000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.58490753\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.33041004 0.35342663 0.83681205 1\n C C1 1 0.16345957 0.43641725 0.50344523 1\n C C2 1 0.99699773 0.02005175 0.17012065 1\n C C3 1 0.66359040 0.68672162 0.50341881 1\n C C4 1 0.49687188 0.76979213 0.17013663 1\n C C5 1 0.83027921 0.10312226 -0.16316153 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06843000\n_cell_length_b 4.66783000\n_cell_length_c 4.71719000\n_cell_angle_alpha 89.12008000\n_cell_angle_beta 70.21004000\n_cell_angle_gamma 67.38054000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.16807120\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50337369 0.83470741 0.15472996 1\n C C1 1 0.26144786 1.07634131 0.39653676 1\n C C2 1 0.26501788 0.38916650 0.39218087 1\n C C3 1 0.78780396 0.36220217 0.86863406 1\n C C4 1 0.49904081 0.52260592 0.15910949 1\n C C5 1 -0.02596036 0.54983702 0.68240230 1\n C C6 1 0.81494136 0.84001766 0.84332947 1\n C C7 1 0.95259900 0.07067722 0.70886529 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44166000\n_cell_length_b 4.53853000\n_cell_length_c 5.41647000\n_cell_angle_alpha 76.90900000\n_cell_angle_beta 89.98729000\n_cell_angle_gamma 89.99859000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.46296544\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34337635 0.13998915 -0.03221883 1\n C C1 1 -0.15669598 0.39885236 0.35036889 1\n C C2 1 0.84313115 0.02636385 0.36542997 1\n C C3 1 0.84365712 0.60086229 0.78313657 1\n C C4 1 0.84364117 0.90415351 0.64574779 1\n C C5 1 0.84353812 0.11472569 0.80314148 1\n C C6 1 0.34340448 0.49608286 0.95475520 1\n C C7 1 0.34324756 0.56722071 0.21485493 1\n C C8 1 0.84358056 0.39568984 0.61794448 1\n C C9 1 0.34318407 0.93228134 0.22938563 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44209000\n_cell_length_b 3.38268000\n_cell_length_c 11.29964000\n_cell_angle_alpha 88.93210000\n_cell_angle_beta 77.58699000\n_cell_angle_gamma 68.77522000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 84.79857724\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58938755 0.68585307 0.60033848 1\n C C1 1 0.33421387 0.25845390 0.06314111 1\n C C2 1 0.54620119 0.53642050 0.71807600 1\n C C3 1 0.64911464 1.01838603 0.37119679 1\n C C4 1 0.10555592 -0.23056227 0.54353885 1\n C C5 1 0.01722571 0.47616155 0.77706478 1\n C C6 1 0.13276442 0.93542679 0.42841525 1\n C C7 1 0.98661529 0.07872339 0.00033865 1\n C C8 1 0.22279927 0.22236176 0.19362398 1\n C C9 1 0.69601434 0.16087997 0.25226636 1\n C C10 1 0.24262630 0.62759593 -0.02938615 1\n C C11 1 0.89646730 0.44578989 0.90795520 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44748000\n_cell_length_b 4.19485000\n_cell_length_c 6.62242000\n_cell_angle_alpha 93.73453000\n_cell_angle_beta 89.98401000\n_cell_angle_gamma 90.00567000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.84675874\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97595974 0.29659622 0.78876856 1\n C C1 1 0.47404989 0.16795995 0.14066471 1\n C C2 1 0.47436339 0.80701790 0.52628046 1\n C C3 1 0.97534018 0.96077487 0.84354266 1\n C C4 1 0.47392745 0.48360108 0.17254850 1\n C C5 1 0.97413027 -0.01329084 0.08601321 1\n C C6 1 -0.02565422 0.78190917 0.42656343 1\n C C7 1 -0.02603687 0.67672225 0.20358076 1\n C C8 1 0.47610237 0.45140372 0.77953310 1\n C C9 1 0.47535651 0.79988568 0.75363831 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50828000\n_cell_length_b 3.41785000\n_cell_length_c 6.35703000\n_cell_angle_alpha 97.94533000\n_cell_angle_beta 90.03637000\n_cell_angle_gamma 111.58772000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.11059416\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68296442 0.05381828 0.42487789 1\n C C1 1 0.51853407 0.72548894 0.58908606 1\n C C2 1 1.07802501 0.84596141 0.32139703 1\n C C3 1 0.57712038 0.84495420 0.82143655 1\n C C4 1 0.91392299 0.51788704 0.48521147 1\n C C5 1 0.18187584 0.05240891 0.92500685 1\n C C6 1 0.41321029 0.51653327 0.98534493 1\n C C7 1 0.01812520 0.72448745 1.08913782 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04934000\n_cell_length_b 2.42977000\n_cell_length_c 6.41480000\n_cell_angle_alpha 100.88566000\n_cell_angle_beta 112.24868000\n_cell_angle_gamma 90.44635000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.03370493\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56961524 0.08366092 0.77296765 1\n C C1 1 0.56735302 0.19448202 -0.00548729 1\n C C2 1 0.56928766 0.86126924 0.32835557 1\n C C3 1 0.56956181 0.52837290 0.66180380 1\n C C4 1 0.57030724 0.75019605 0.10656359 1\n C C5 1 0.57148624 0.41694646 0.44022339 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33460000\n_cell_length_b 3.31876000\n_cell_length_c 5.74277000\n_cell_angle_alpha 125.41792000\n_cell_angle_beta 106.80783000\n_cell_angle_gamma 90.11384000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.39494294\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09643049 0.83272569 0.95034910 1\n C C1 1 0.63495629 0.72725674 0.78400830 1\n C C2 1 0.95999406 1.09170991 0.43325166 1\n C C3 1 0.58661381 0.64585659 0.28034290 1\n C C4 1 0.25571143 -0.01559589 0.26694637 1\n C C5 1 0.61771505 0.43820823 0.45328398 1\n C C6 1 0.27271745 0.38042970 0.76370007 1\n C C7 1 0.41364071 0.17187705 -0.06355948 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.38448000\n_cell_length_b 4.88708000\n_cell_length_c 3.31918000\n_cell_angle_alpha 72.70666000\n_cell_angle_beta 131.40094000\n_cell_angle_gamma 116.70833000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.65603613\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46545097 0.71580964 0.54007749 1\n C C1 1 0.01053911 0.54993786 0.08601420 1\n C C2 1 0.65741086 0.54964166 0.08619562 1\n C C3 1 0.82263330 0.71602227 0.53988079 1\n C C4 1 0.12341426 0.03222236 0.53947173 1\n C C5 1 0.48076065 0.03211294 0.53977997 1\n C C6 1 0.48168087 0.19819790 1.08574953 1\n C C7 1 0.83483199 0.19844588 0.08559018 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47788000\n_cell_length_b 2.47797000\n_cell_length_c 6.31186000\n_cell_angle_alpha 101.32322000\n_cell_angle_beta 101.33030000\n_cell_angle_gamma 59.98544000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68408634\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88468702 0.70926449 -0.01738048 1\n C C1 1 0.44071550 0.26257120 0.64737159 1\n C C2 1 -0.03080606 0.79125782 0.23372384 1\n C C3 1 0.74610876 0.56747476 0.56428137 1\n C C4 1 0.52357795 0.34782750 0.89836648 1\n C C5 1 0.66393373 0.48492013 0.31716441 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48436000\n_cell_length_b 4.59890000\n_cell_length_c 5.48488000\n_cell_angle_alpha 110.45544000\n_cell_angle_beta 89.96481000\n_cell_angle_gamma 74.33270000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.21926993\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48905860 0.14777421 0.30254938 1\n C C1 1 0.94950133 0.23008536 0.69858466 1\n C C2 1 0.32178638 0.48171312 0.08215797 1\n C C3 1 0.71583536 0.69444039 0.51434491 1\n C C4 1 0.20736620 0.71275580 0.93878392 1\n C C5 1 -0.07598014 0.27902398 -0.01630502 1\n C C6 1 0.53178431 0.06548053 0.55072612 1\n C C7 1 0.29797772 0.52990988 0.36672827 1\n C C8 1 0.75744846 0.61345570 0.76365167 1\n C C9 1 0.03899396 0.04898603 0.12818143 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51214000\n_cell_length_b 5.92403000\n_cell_length_c 4.10917000\n_cell_angle_alpha 69.68157000\n_cell_angle_beta 90.00684000\n_cell_angle_gamma 90.03581000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.34754363\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.24733043 0.35418949 0.22033784 1\n C C1 1 0.25281110 0.74305131 0.39736616 1\n C C2 1 0.25089787 0.98227962 0.75404042 1\n C C3 1 0.75340606 0.60999129 -0.03500359 1\n C C4 1 1.25136606 0.22193562 0.78647270 1\n C C5 1 0.75317271 0.61051307 0.59187477 1\n C C6 1 0.25287813 0.74273628 1.02641480 1\n C C7 1 0.75254236 0.35457497 0.59180133 1\n C C8 1 0.25120346 0.98237182 0.43044893 1\n C C9 1 0.25151638 0.22162494 0.15827494 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51154000\n_cell_length_b 4.11302000\n_cell_length_c 4.19130000\n_cell_angle_alpha 119.38839000\n_cell_angle_beta 72.40220000\n_cell_angle_gamma 89.98677000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.37891627\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85663419 0.73396242 -0.18542719 1\n C C1 1 0.66325872 0.77760325 0.20269170 1\n C C2 1 0.66282428 0.44703782 0.20284252 1\n C C3 1 0.85646948 0.10318512 0.81499046 1\n C C4 1 0.47049090 0.49069255 0.59034679 1\n C C5 1 0.47033673 0.12203855 0.59065692 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50600000\n_cell_length_b 4.97311000\n_cell_length_c 7.28084000\n_cell_angle_alpha 86.15671000\n_cell_angle_beta 77.51017000\n_cell_angle_gamma 64.87267000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.17565059\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01192864 0.25839982 0.15212296 1\n C C1 1 0.73871478 0.40305465 0.34849950 1\n C C2 1 0.54225766 0.43771412 0.75459106 1\n C C3 1 0.47695011 0.69117950 0.25105449 1\n C C4 1 0.76042452 0.54514664 0.05313250 1\n C C5 1 1.05545281 0.53258104 0.64254553 1\n C C6 1 0.26797467 0.61097744 0.94056956 1\n C C7 1 0.47764983 0.00169057 0.48617699 1\n C C8 1 0.23100345 0.34376904 0.46134058 1\n C C9 1 -0.21099642 0.86777102 0.28323289 1\n C C10 1 0.79689616 0.09043637 0.77487289 1\n C C11 1 0.69223588 1.08164978 0.12314189 1\n C C12 1 0.94235544 -0.05933240 0.92984352 1\n C C13 1 0.95941436 0.90287821 0.59782245 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47510000\n_cell_length_b 3.72223000\n_cell_length_c 4.24827000\n_cell_angle_alpha 64.00770000\n_cell_angle_beta 89.99531000\n_cell_angle_gamma 89.98487000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.18006998\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74752098 -0.00772811 0.81432948 1\n C C1 1 0.24749190 0.97271111 0.03703066 1\n C C2 1 0.74759988 0.42694535 0.53626669 1\n C C3 1 0.74736995 0.58423306 0.81402436 1\n C C4 1 0.24761931 0.53762599 0.31499593 1\n C C5 1 0.24747228 0.38090370 1.03690888 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30993000\n_cell_length_b 3.63357000\n_cell_length_c 4.02606000\n_cell_angle_alpha 112.10020000\n_cell_angle_beta 81.58769000\n_cell_angle_gamma 84.61510000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.79112272\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02629117 0.73120678 0.41184423 1\n C C1 1 0.83439539 0.13716084 0.60516167 1\n C C2 1 0.52909590 0.17268652 0.91324231 1\n C C3 1 0.52930470 0.79127665 0.91354907 1\n C C4 1 0.33684091 0.57857108 0.10633064 1\n C C5 1 0.83372704 0.51888623 0.60489819 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43081000\n_cell_length_b 6.18168000\n_cell_length_c 6.18514000\n_cell_angle_alpha 61.04891000\n_cell_angle_beta 95.02259000\n_cell_angle_gamma 84.76167000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.05580454\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22398734 0.17400092 0.71935407 1\n C C1 1 0.48717269 1.04672047 0.26015061 1\n C C2 1 0.92883864 0.15375864 0.15222480 1\n C C3 1 0.19930131 0.61371203 0.28046342 1\n C C4 1 0.18927152 0.64666929 0.50347066 1\n C C5 1 0.69155343 0.61202097 0.93606572 1\n C C6 1 0.68496344 0.60809671 0.17365128 1\n C C7 1 0.74010671 1.06659569 0.71436995 1\n C C8 1 0.73064129 0.82893881 0.71858435 1\n C C9 1 0.23112905 0.39685747 0.75279937 1\n C C10 1 0.77351899 0.38610239 0.90711627 1\n C C11 1 0.64486139 0.80104553 0.49268181 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48192000\n_cell_length_b 3.84634000\n_cell_length_c 3.74177000\n_cell_angle_alpha 89.91893000\n_cell_angle_beta 89.99369000\n_cell_angle_gamma 89.98726000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.72005268\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39357576 0.73090135 0.88602639 1\n C C1 1 0.89359457 0.73149090 0.11543697 1\n C C2 1 0.89360071 0.02677009 0.38145672 1\n C C3 1 0.89364720 0.43659374 0.38243926 1\n C C4 1 0.39357763 0.43590811 0.61993675 1\n C C5 1 0.39353554 1.02610831 0.61905370 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48434000\n_cell_length_b 3.82384000\n_cell_length_c 5.98223000\n_cell_angle_alpha 59.63667000\n_cell_angle_beta 78.04307000\n_cell_angle_gamma 71.02254000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.30559428\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12399106 1.00339286 0.03874209 1\n C C1 1 0.63187767 0.42831087 0.59403636 1\n C C2 1 0.84755685 0.05662599 0.53761270 1\n C C3 1 0.45863295 0.94016150 0.43136600 1\n C C4 1 0.51345026 1.11947935 0.14485056 1\n C C5 1 1.08549871 0.35730815 0.75905324 1\n C C6 1 0.33745487 0.63207230 0.98189514 1\n C C7 1 0.88354282 0.70320838 0.81679872 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41795000\n_cell_length_b 2.61946000\n_cell_length_c 8.62275000\n_cell_angle_alpha 104.92502000\n_cell_angle_beta 81.99286000\n_cell_angle_gamma 90.20123000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.22724765\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32339252 0.41605229 0.36995399 1\n C C1 1 0.56072304 0.52352650 0.88445477 1\n C C2 1 0.69571360 0.75561304 0.62787384 1\n C C3 1 0.40318875 0.11310204 0.20779273 1\n C C4 1 0.64840580 0.32116583 0.70805375 1\n C C5 1 1.02230787 0.66093806 -0.03493561 1\n C C6 1 -0.05673460 0.96217844 0.12791205 1\n C C7 1 0.78416733 0.55325709 0.45118108 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.13299000\n_cell_length_b 6.20045000\n_cell_length_c 6.71145000\n_cell_angle_alpha 115.82863000\n_cell_angle_beta 98.52911000\n_cell_angle_gamma 101.87624000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 145.86122412\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53131912 0.34963463 0.29496571 1\n C C1 1 0.11033453 0.77592774 0.19884163 1\n C C2 1 0.65333896 0.23726365 0.42218544 1\n C C3 1 0.86291218 0.02064371 0.07447701 1\n C C4 1 0.13700204 0.74683806 0.83146609 1\n C C5 1 0.57618976 0.29976238 0.07457084 1\n C C6 1 0.25925408 0.62472122 0.53867501 1\n C C7 1 0.31481717 0.57640623 0.72703779 1\n C C8 1 0.76848256 0.11131275 0.72526928 1\n C C9 1 0.43126638 0.44589254 0.99809915 1\n C C10 1 0.46186062 0.42582328 0.78542096 1\n C C11 1 0.34874236 0.52530262 0.34227424 1\n C C12 1 0.93461460 0.94594542 0.58484739 1\n C C13 1 0.62859353 0.26090799 0.64534169 1\n C C14 1 -0.03623382 0.92511271 0.37166232 1\n C C15 1 0.28252530 0.59382220 0.17044481 1\n C C16 1 0.08271933 0.79605068 0.64363725 1\n C C17 1 0.74283240 0.13473562 0.94837890 1\n C C18 1 0.04355997 0.84396919 0.02656723 1\n C C19 1 0.81975232 1.07189116 0.29545146 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.12104000\n_cell_length_b 4.67587000\n_cell_length_c 4.61317000\n_cell_angle_alpha 87.48860000\n_cell_angle_beta 104.98585000\n_cell_angle_gamma 118.57073000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.86022673\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51950344 0.01173424 0.38427993 1\n C C1 1 0.18807810 0.67804993 0.38310516 1\n C C2 1 0.43929848 1.17781203 0.13285768 1\n C C3 1 1.02194508 1.01158892 0.88356821 1\n C C4 1 0.77085098 0.51145041 0.13380904 1\n C C5 1 0.27071726 0.51186209 0.63394885 1\n C C6 1 0.69047010 0.67786810 0.88252177 1\n C C7 1 -0.06071483 0.17814289 0.63282356 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51441000\n_cell_length_b 3.32082000\n_cell_length_c 3.51465000\n_cell_angle_alpha 90.00418000\n_cell_angle_beta 60.07589000\n_cell_angle_gamma 90.00442000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.55020261\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09192458 0.49815527 0.95912659 1\n C C1 1 0.55575799 0.66447514 0.72703913 1\n C C2 1 0.55548785 0.99816044 0.42233454 1\n C C3 1 0.86004265 0.33241337 0.42252761 1\n C C4 1 0.09183433 0.16428322 0.65437550 1\n C C5 1 0.78782441 0.83234586 0.95894052 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.76516000\n_cell_length_b 4.20889000\n_cell_length_c 4.08078000\n_cell_angle_alpha 86.46794000\n_cell_angle_beta 73.12504000\n_cell_angle_gamma 73.77963000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.40742445\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53712515 0.56048915 0.46111938 1\n C C1 1 0.72564551 0.93314728 0.07314171 1\n C C2 1 0.35707692 -0.06013043 0.08058074 1\n C C3 1 0.53993044 0.31709900 0.69826125 1\n C C4 1 0.22299841 0.71213562 0.31442014 1\n C C5 1 0.22581799 0.17074160 0.85065490 1\n C C6 1 0.85735745 0.16355476 0.84189724 1\n C C7 1 0.85432622 0.70489523 0.30663264 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46217000\n_cell_length_b 3.37795000\n_cell_length_c 5.28708000\n_cell_angle_alpha 86.26801000\n_cell_angle_beta 90.10164000\n_cell_angle_gamma 69.20577000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.00699252\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85728936 0.63607683 0.64299822 1\n C C1 1 -0.00408168 0.34781913 0.17065831 1\n C C2 1 0.40361135 0.53621373 1.04508132 1\n C C3 1 0.37404929 0.60152253 0.76918210 1\n C C4 1 0.22347369 0.89453341 0.24143361 1\n C C5 1 0.81681899 0.70568687 0.36737054 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44767000\n_cell_length_b 4.20180000\n_cell_length_c 6.61411000\n_cell_angle_alpha 85.74365000\n_cell_angle_beta 90.04830000\n_cell_angle_gamma 90.01060000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.83597065\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06423269 0.30960386 0.21923011 1\n C C1 1 0.06593687 0.80054712 0.57799113 1\n C C2 1 0.56595472 0.64468523 0.57155874 1\n C C3 1 0.56503255 0.91857764 0.93261941 1\n C C4 1 0.56564179 0.29686579 0.54675534 1\n C C5 1 1.06443405 0.40984012 0.99358167 1\n C C6 1 0.06495957 0.10009571 0.87974115 1\n C C7 1 0.56458853 0.28786460 0.31961569 1\n C C8 1 0.06577207 0.13364834 0.63610943 1\n C C9 1 0.56440425 0.60224910 0.96018713 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43070000\n_cell_length_b 3.05813000\n_cell_length_c 6.96050000\n_cell_angle_alpha 96.30891000\n_cell_angle_beta 111.78317000\n_cell_angle_gamma 110.66143000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.19406853\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75934103 0.02705673 0.29342174 1\n C C1 1 0.42703053 0.47550933 0.73755472 1\n C C2 1 0.75987462 0.36181602 0.62666271 1\n C C3 1 0.75977084 0.69485179 0.96000981 1\n C C4 1 0.42641359 1.14047408 0.40433209 1\n C C5 1 0.42648858 -0.19265815 0.07097793 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48910000\n_cell_length_b 4.16566000\n_cell_length_c 7.43729000\n_cell_angle_alpha 117.63730000\n_cell_angle_beta 99.63195000\n_cell_angle_gamma 90.01293000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.08554811\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58279182 0.10381857 0.67900349 1\n C C1 1 0.31992220 0.19840822 0.15795219 1\n C C2 1 0.24150824 0.34368468 1.00093610 1\n C C3 1 0.81907769 -0.02644035 0.15647274 1\n C C4 1 0.12873113 0.02806985 0.77164526 1\n C C5 1 1.10259963 0.63392219 0.71602073 1\n C C6 1 0.93351676 0.03238791 0.37828837 1\n C C7 1 0.63399919 0.51093163 0.78103183 1\n C C8 1 0.43829685 0.51485874 0.38746897 1\n C C9 1 0.98386250 0.43907999 0.48037520 1\n C C10 1 0.46534881 0.90906104 0.44304687 1\n C C11 1 0.74265699 0.56946593 1.00279114 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.61408000\n_cell_length_b 4.65753000\n_cell_length_c 4.59309000\n_cell_angle_alpha 98.92902000\n_cell_angle_beta 127.03230000\n_cell_angle_gamma 105.32436000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.30183351\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07159673 0.93052031 0.23392906 1\n C C1 1 0.64133879 0.14275321 0.33986091 1\n C C2 1 0.38063011 0.69803241 0.80493211 1\n C C3 1 1.01074444 0.69810145 0.43030756 1\n C C4 1 0.18925555 0.37468325 0.76865180 1\n C C5 1 0.55633334 0.37456366 0.14303356 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48712000\n_cell_length_b 3.51612000\n_cell_length_c 4.30406000\n_cell_angle_alpha 65.90899000\n_cell_angle_beta 73.20890000\n_cell_angle_gamma 90.00435000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.59446446\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50984720 0.04379228 0.45693599 1\n C C1 1 0.67640470 0.96076713 0.12357297 1\n C C2 1 0.84306718 0.37708279 0.79030920 1\n C C3 1 1.00991085 0.29414661 0.45689918 1\n C C4 1 0.17634105 0.71041280 0.12360978 1\n C C5 1 0.34318472 0.62747662 0.79019976 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44250000\n_cell_length_b 5.15262000\n_cell_length_c 7.57712000\n_cell_angle_alpha 67.83919000\n_cell_angle_beta 91.16734000\n_cell_angle_gamma 84.23753000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.69375656\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07813072 0.97171257 0.11868612 1\n C C1 1 0.98421535 0.87683050 0.78848293 1\n C C2 1 0.50961749 0.64054166 0.39468934 1\n C C3 1 0.73233632 0.44948384 0.76268546 1\n C C4 1 0.39580957 0.05367470 0.00634178 1\n C C5 1 0.97496385 0.76626099 0.28906779 1\n C C6 1 0.52748326 0.32542409 0.44360808 1\n C C7 1 1.05502359 0.87029243 0.59295830 1\n C C8 1 0.04845414 0.18156806 0.47506763 1\n C C9 1 0.27849908 0.33577232 0.84704345 1\n C C10 1 0.59166871 0.70431083 0.58165175 1\n C C11 1 0.46852208 0.91116241 0.86501596 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46789000\n_cell_length_b 3.37879000\n_cell_length_c 5.22720000\n_cell_angle_alpha 90.61808000\n_cell_angle_beta 89.99899000\n_cell_angle_gamma 111.43923000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.56822905\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81914655 0.78382053 0.36726145 1\n C C1 1 -0.02975386 0.08337898 -0.15661317 1\n C C2 1 0.40745466 0.96019130 0.24228543 1\n C C3 1 0.44683726 0.03532198 -0.03217688 1\n C C4 1 0.60042815 0.33932185 0.44425178 1\n C C5 1 1.01164714 0.16191546 0.56901449 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.90758000\n_cell_length_b 3.63720000\n_cell_length_c 4.81954000\n_cell_angle_alpha 112.16761000\n_cell_angle_beta 89.89443000\n_cell_angle_gamma 109.80432000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.94291042\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08554077 0.75486695 0.03875332 1\n C C1 1 0.91149940 0.71968863 0.73127384 1\n C C2 1 0.91709918 0.37533767 0.03953919 1\n C C3 1 0.91362381 0.16132382 0.23057147 1\n C C4 1 -0.09114055 0.09921792 0.73048797 1\n C C5 1 0.91233482 0.31323176 0.53945569 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23521000\n_cell_length_b 4.48700000\n_cell_length_c 3.89081000\n_cell_angle_alpha 55.60065000\n_cell_angle_beta 84.19523000\n_cell_angle_gamma 105.41253000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.80232447\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67535352 0.18200196 0.50175663 1\n C C1 1 0.53884578 0.92428130 0.35568018 1\n C C2 1 0.83084878 0.82402099 0.29620769 1\n C C3 1 0.41871940 1.00164208 -0.04023218 1\n C C4 1 0.32953093 0.56246209 0.12164637 1\n C C5 1 0.69450974 0.56645181 0.14990392 1\n C C6 1 0.13391416 0.16611391 0.89167847 1\n C C7 1 0.95110961 0.74692707 0.69196271 1\n C C8 1 1.04029912 0.18609072 0.53005516 1\n C C9 1 0.23585916 0.58238096 0.76012725 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26541000\n_cell_length_b 3.27888000\n_cell_length_c 3.63414000\n_cell_angle_alpha 75.38480000\n_cell_angle_beta 75.45145000\n_cell_angle_gamma 80.83441000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25244166\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70395648 0.27695015 0.21677988 1\n C C1 1 0.11861063 0.64872584 0.59830644 1\n C C2 1 0.33175339 0.85988956 0.83585465 1\n C C3 1 0.97017766 0.22154376 0.83556136 1\n C C4 1 0.38763219 0.59408908 0.21706721 1\n C C5 1 0.75828415 0.01008811 0.59796456 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46535000\n_cell_length_b 4.89967000\n_cell_length_c 7.58126000\n_cell_angle_alpha 86.28718000\n_cell_angle_beta 86.97483000\n_cell_angle_gamma 91.35972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.22365879\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37339557 0.18876764 0.72243351 1\n C C1 1 0.35448109 0.01615527 0.90637008 1\n C C2 1 0.38162561 0.75349851 0.80641284 1\n C C3 1 0.86690124 0.57654902 0.83490115 1\n C C4 1 0.80718618 0.74705718 0.13250664 1\n C C5 1 0.28990993 0.23816689 0.26818416 1\n C C6 1 0.42774297 0.91555633 0.63233707 1\n C C7 1 0.33706397 0.48625260 0.38435941 1\n C C8 1 0.83726029 1.01864561 1.02126561 1\n C C9 1 0.94661716 0.85023121 0.52954062 1\n C C10 1 0.18198053 0.96884272 0.35606430 1\n C C11 1 -0.19485289 0.25536943 0.14020436 1\n C C12 1 0.85887339 0.52836197 0.50295784 1\n C C13 1 0.81821351 0.50673499 0.02752906 1\n C C14 1 0.30083256 0.73735301 0.25140601 1\n C C15 1 0.87281947 0.36457342 0.69228324 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.65527000\n_cell_length_b 2.45680000\n_cell_length_c 7.90448000\n_cell_angle_alpha 98.93191000\n_cell_angle_beta 129.68256000\n_cell_angle_gamma 70.33605000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.26898073\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81048436 0.49335428 0.72995835 1\n C C1 1 0.04063324 0.21722372 0.40802530 1\n C C2 1 -0.17798531 0.77633593 0.30647588 1\n C C3 1 0.55409713 0.72102393 0.93052858 1\n C C4 1 0.30904244 1.27168535 0.78399169 1\n C C5 1 0.37804278 -0.12112217 0.07117139 1\n C C6 1 0.05257000 0.49823485 0.98438390 1\n C C7 1 0.48471856 0.11350420 0.64323882 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46576000\n_cell_length_b 3.36378000\n_cell_length_c 5.59435000\n_cell_angle_alpha 92.42502000\n_cell_angle_beta 77.26222000\n_cell_angle_gamma 101.04262000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.42113934\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14528122 0.46951072 0.43069088 1\n C C1 1 0.20053333 0.60514464 0.85014701 1\n C C2 1 0.03220781 -0.16456748 0.09027653 1\n C C3 1 0.72543255 0.46944813 0.27036595 1\n C C4 1 0.60626219 0.10373519 0.09029833 1\n C C5 1 0.67984611 0.33381237 0.85002493 1\n C C6 1 0.84600450 0.10356743 0.61031294 1\n C C7 1 0.27224549 0.83544829 0.61027994 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48205000\n_cell_length_b 3.67033000\n_cell_length_c 5.57016000\n_cell_angle_alpha 70.76871000\n_cell_angle_beta 77.10957000\n_cell_angle_gamma 90.00080000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.55556389\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71883443 0.81043811 -0.02167134 1\n C C1 1 1.06407952 0.41720474 0.28666328 1\n C C2 1 0.56389796 0.65516731 0.28691492 1\n C C3 1 0.83324872 0.18418062 0.75404936 1\n C C4 1 -0.04469346 0.04351196 0.51065905 1\n C C5 1 0.45530049 0.80501623 0.51080094 1\n C C6 1 0.33323968 0.42268736 0.75406510 1\n C C7 1 0.21908167 0.57252637 -0.02202101 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44433000\n_cell_length_b 4.84010000\n_cell_length_c 6.67969000\n_cell_angle_alpha 83.43807000\n_cell_angle_beta 90.03263000\n_cell_angle_gamma 59.64381000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.58794303\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02074424 0.31606385 0.26840817 1\n C C1 1 0.88982891 0.94463137 0.00538123 1\n C C2 1 0.53632670 0.29898664 0.95215302 1\n C C3 1 0.43123786 0.40566214 0.71357006 1\n C C4 1 0.72309267 0.11378940 0.58339497 1\n C C5 1 0.54792692 0.78648613 1.01946242 1\n C C6 1 -0.09461625 0.43006853 0.04649899 1\n C C7 1 0.42064062 -0.08348399 0.61443056 1\n C C8 1 0.73931590 0.59759468 0.66400644 1\n C C9 1 0.57474234 0.26223624 0.36572915 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27090000\n_cell_length_b 4.23694000\n_cell_length_c 4.24487000\n_cell_angle_alpha 59.91997000\n_cell_angle_beta 49.61469000\n_cell_angle_gamma 84.83311000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.23364914\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78806960 0.33027723 0.56221698 1\n C C1 1 0.12554694 0.09351300 0.37291013 1\n C C2 1 0.95668729 0.71206557 0.80926892 1\n C C3 1 0.95618555 0.71175928 0.12626022 1\n C C4 1 -0.21177410 0.33050776 0.92304467 1\n C C5 1 0.12543610 0.09332926 0.01209948 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48247000\n_cell_length_b 3.84161000\n_cell_length_c 3.74996000\n_cell_angle_alpha 90.03349000\n_cell_angle_beta 90.02784000\n_cell_angle_gamma 90.06342000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.76214220\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34865415 0.44213122 0.96331924 1\n C C1 1 0.34852624 0.14779715 0.69527653 1\n C C2 1 0.84832248 0.14757662 0.45964327 1\n C C3 1 0.34913325 0.73688053 0.69554528 1\n C C4 1 0.84896051 0.73669475 0.45988171 1\n C C5 1 0.84877508 0.44192563 0.19191387 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.60827000\n_cell_length_b 3.48759000\n_cell_length_c 3.43412000\n_cell_angle_alpha 94.67820000\n_cell_angle_beta 92.33189000\n_cell_angle_gamma 68.70455000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.24885187\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81225189 0.39135295 0.48176854 1\n C C1 1 0.48507621 0.61333770 0.57184078 1\n C C2 1 0.84066075 0.85613404 -0.02729246 1\n C C3 1 0.49638836 0.94530043 0.91428292 1\n C C4 1 0.00261138 0.53016437 0.71927237 1\n C C5 1 0.31877069 -0.02513702 0.29137351 1\n C C6 1 0.32981227 0.30693010 0.63354943 1\n C C7 1 0.97535945 0.06432393 0.23050881 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48342000\n_cell_length_b 4.72119000\n_cell_length_c 6.27240000\n_cell_angle_alpha 100.46814000\n_cell_angle_beta 101.43275000\n_cell_angle_gamma 105.21968000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.39725916\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77965675 0.97924181 0.16576586 1\n C C1 1 0.36483519 0.73532468 0.57622599 1\n C C2 1 0.94886546 0.75513226 0.72401543 1\n C C3 1 -0.06176211 0.56324539 0.89603864 1\n C C4 1 0.31265600 0.11851076 0.09432324 1\n C C5 1 0.98270122 1.13584564 0.41604233 1\n C C6 1 1.12833686 0.46979196 0.37324278 1\n C C7 1 0.17806121 0.08502214 0.85394607 1\n C C8 1 0.71245475 0.22526332 0.78340233 1\n C C9 1 0.50926705 0.06942092 0.53348776 1\n C C10 1 0.54288940 0.44876722 0.22421870 1\n C C11 1 0.55387091 0.64109270 0.05238548 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44318000\n_cell_length_b 4.78391000\n_cell_length_c 8.31170000\n_cell_angle_alpha 61.95097000\n_cell_angle_beta 72.83086000\n_cell_angle_gamma 89.96861000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.80714090\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23758033 -0.08013456 0.21597137 1\n C C1 1 0.74085378 0.61505183 0.71007933 1\n C C2 1 0.59334598 0.41032156 0.36225546 1\n C C3 1 0.41083927 0.59622265 0.04202841 1\n C C4 1 0.19036433 0.57792570 0.26533039 1\n C C5 1 -0.11920082 -0.07254428 0.57228194 1\n C C6 1 0.78292325 0.08165939 0.17093166 1\n C C7 1 1.09734725 1.10491035 0.85525342 1\n C C8 1 0.14433268 0.44644149 0.80640618 1\n C C9 1 0.45191464 0.09975537 0.50181462 1\n C C10 1 -0.07633334 0.42891600 0.02983762 1\n C C11 1 0.55174896 0.94288611 0.90030260 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48790000\n_cell_length_b 4.30531000\n_cell_length_c 5.55987000\n_cell_angle_alpha 104.98304000\n_cell_angle_beta 102.93238000\n_cell_angle_gamma 73.19386000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.35095705\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37423774 0.54531261 0.18767981 1\n C C1 1 0.77589810 0.34552675 0.78807244 1\n C C2 1 0.57288497 0.69475666 0.73657742 1\n C C3 1 0.57387159 0.94482906 -0.01343002 1\n C C4 1 0.37526517 0.29536618 0.93796889 1\n C C5 1 0.17587763 0.14515461 0.38742368 1\n C C6 1 0.97354098 0.49503707 0.33745043 1\n C C7 1 0.77615876 0.09513062 0.53750513 1\n C C8 1 0.17497912 0.89467938 0.13666420 1\n C C9 1 0.97269823 0.74493395 0.58669992 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48126000\n_cell_length_b 3.68839000\n_cell_length_c 4.22349000\n_cell_angle_alpha 104.99972000\n_cell_angle_beta 89.93869000\n_cell_angle_gamma 70.30528000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98561368\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01202412 0.52065905 0.60898830 1\n C C1 1 0.40970125 0.67751744 0.47844678 1\n C C2 1 0.21089539 0.07436562 0.40219021 1\n C C3 1 0.53582539 0.43005834 0.10411135 1\n C C4 1 0.73203578 1.03345092 0.18058650 1\n C C5 1 0.95709310 0.58726683 -0.02624605 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48114000\n_cell_length_b 3.68862000\n_cell_length_c 4.21906000\n_cell_angle_alpha 75.15026000\n_cell_angle_beta 89.98352000\n_cell_angle_gamma 109.64702000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99137570\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48456964 -0.01841395 0.81398701 1\n C C1 1 0.70846151 0.42726237 0.60732727 1\n C C2 1 0.74217220 0.49702358 0.24224240 1\n C C3 1 0.96481764 0.94273100 0.03589811 1\n C C4 1 0.28720846 0.58461497 0.73785012 1\n C C5 1 0.16431665 0.34083223 0.11118809 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46619000\n_cell_length_b 6.62944000\n_cell_length_c 7.13090000\n_cell_angle_alpha 57.36624000\n_cell_angle_beta 79.98490000\n_cell_angle_gamma 68.08924000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.03367712\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56236042 0.47640156 0.16963827 1\n C C1 1 0.45640544 0.70054176 -0.06471254 1\n C C2 1 1.00347487 0.47163335 0.29835197 1\n C C3 1 0.20881164 0.94266066 0.94575086 1\n C C4 1 0.67902995 0.68458901 0.52899367 1\n C C5 1 0.08964605 0.17670602 0.71955759 1\n C C6 1 0.03909048 0.79962841 0.57572124 1\n C C7 1 0.85337360 0.40739943 0.73295710 1\n C C8 1 0.17957843 0.19401734 0.50256909 1\n C C9 1 0.80915906 0.21168534 0.20261961 1\n C C10 1 1.29170564 0.40319228 0.86172016 1\n C C11 1 0.76845959 0.70201685 0.31199273 1\n C C12 1 0.39490239 0.17940080 0.09613042 1\n C C13 1 0.04262261 0.66824674 0.82865502 1\n C C14 1 0.64284135 -0.06296431 0.08613867 1\n C C15 1 0.81699287 0.07953296 0.45542473 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.26792000\n_cell_length_b 4.20598000\n_cell_length_c 3.69834000\n_cell_angle_alpha 68.44680000\n_cell_angle_beta 75.86497000\n_cell_angle_gamma 60.62729000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.64032477\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92416237 -0.01897117 0.48712679 1\n C C1 1 0.92253064 0.64986385 0.54715448 1\n C C2 1 0.26215186 1.00973088 0.45014229 1\n C C3 1 0.58724969 0.34911095 0.40305790 1\n C C4 1 0.25875897 0.28087711 0.63574140 1\n C C5 1 0.34068655 0.20948556 1.03367539 1\n C C6 1 0.58416365 0.62047605 0.58775979 1\n C C7 1 0.50534547 0.42126007 1.00449996 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43111000\n_cell_length_b 5.49247000\n_cell_length_c 4.93329000\n_cell_angle_alpha 65.88855000\n_cell_angle_beta 75.50474000\n_cell_angle_gamma 77.25591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.68767277\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86176870 0.25379333 0.78245412 1\n C C1 1 0.52889557 0.58642694 1.11636545 1\n C C2 1 0.27879986 0.33758568 0.86509957 1\n C C3 1 0.77887992 0.83764748 0.36517668 1\n C C4 1 1.02882625 1.08873751 0.61400327 1\n C C5 1 0.36179177 0.75396088 0.28258099 1\n C C6 1 0.61175098 1.00506484 0.53128735 1\n C C7 1 0.11180295 0.50286705 0.03359546 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32189000\n_cell_length_b 3.78584000\n_cell_length_c 3.91799000\n_cell_angle_alpha 88.01115000\n_cell_angle_beta 74.20792000\n_cell_angle_gamma 95.91881000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.05913696\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47672435 0.10449121 0.68159948 1\n C C1 1 0.28046923 0.41368267 0.82662596 1\n C C2 1 0.90671677 0.23650623 0.44231527 1\n C C3 1 0.65472731 0.59490600 -0.06493341 1\n C C4 1 0.22685005 -0.05127825 0.42496326 1\n C C5 1 1.03916697 0.58372267 0.60288565 1\n C C6 1 0.85437609 0.29092723 0.09069428 1\n C C7 1 0.55756842 0.95794374 0.04114480 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44427000\n_cell_length_b 4.20440000\n_cell_length_c 6.49405000\n_cell_angle_alpha 66.82295000\n_cell_angle_beta 79.19814000\n_cell_angle_gamma 89.88494000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 60.07354222\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.15508184 0.86221119 0.26608752 1\n C C1 1 0.93473386 0.88120171 0.71159556 1\n C C2 1 0.83671787 -0.05391738 0.91028374 1\n C C3 1 0.48626125 0.86786735 0.60757312 1\n C C4 1 0.13329472 0.49364338 0.30496040 1\n C C5 1 0.28395345 -0.04203891 1.01493659 1\n C C6 1 0.61042354 0.96081295 0.35679554 1\n C C7 1 0.62767707 0.33000580 0.31628364 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43813000\n_cell_length_b 2.54965000\n_cell_length_c 6.48613000\n_cell_angle_alpha 79.20829000\n_cell_angle_beta 90.74334000\n_cell_angle_gamma 90.09284000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.60380066\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06819312 0.44127741 0.69481713 1\n C C1 1 0.08631125 0.21822337 0.13206556 1\n C C2 1 0.58239066 1.27320258 0.02378716 1\n C C3 1 0.08222849 0.10507614 0.36139612 1\n C C4 1 0.57210836 0.38548323 0.80228336 1\n C C5 1 0.07085672 0.55563747 0.46490767 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43051000\n_cell_length_b 4.16180000\n_cell_length_c 9.24998000\n_cell_angle_alpha 109.42752000\n_cell_angle_beta 99.29423000\n_cell_angle_gamma 94.26161000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.25261019\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01125051 0.22654835 0.84831322 1\n C C1 1 1.01110445 0.72710822 0.34757114 1\n C C2 1 0.34454745 0.22660841 0.18164120 1\n C C3 1 0.45567142 0.05890261 0.79236837 1\n C C4 1 0.67792850 0.22692252 0.51479365 1\n C C5 1 0.34445048 0.72703309 0.68085070 1\n C C6 1 -0.21038142 0.55902467 0.62617955 1\n C C7 1 0.12239198 0.05924062 0.45896307 1\n C C8 1 1.12300252 0.55873574 0.95976888 1\n C C9 1 0.78908071 0.05894685 0.12582820 1\n C C10 1 0.67787421 0.72696538 1.01442417 1\n C C11 1 0.45634550 0.55881474 0.29295304 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.76414000\n_cell_length_b 5.20625000\n_cell_length_c 3.63645000\n_cell_angle_alpha 113.71468000\n_cell_angle_beta 84.44126000\n_cell_angle_gamma 113.61085000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.77283144\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96328605 0.93648799 0.99654273 1\n C C1 1 0.15473775 0.12787466 0.78387173 1\n C C2 1 0.15587997 0.12810331 0.40256974 1\n C C3 1 0.65090567 0.62720832 0.84432140 1\n C C4 1 0.45872207 0.43565770 0.43836439 1\n C C5 1 0.45949479 0.43603532 0.05739201 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48394000\n_cell_length_b 4.08826000\n_cell_length_c 4.67268000\n_cell_angle_alpha 96.70748000\n_cell_angle_beta 105.41511000\n_cell_angle_gamma 90.00094000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.40697939\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82994316 -0.12142606 0.17846272 1\n C C1 1 0.17603809 0.47276118 0.86573099 1\n C C2 1 0.44641788 0.41117503 0.40690120 1\n C C3 1 0.60437226 0.59073018 0.72185241 1\n C C4 1 -0.05275295 0.18462664 0.40906285 1\n C C5 1 0.65937036 0.94654485 0.83702017 1\n C C6 1 1.11723199 0.11721852 0.75105621 1\n C C7 1 0.33133911 0.65356357 0.18061846 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52262000\n_cell_length_b 4.45322000\n_cell_length_c 4.81084000\n_cell_angle_alpha 105.73918000\n_cell_angle_beta 116.83590000\n_cell_angle_gamma 82.47727000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.41324057\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47792434 0.13699700 0.97247713 1\n C C1 1 1.07254923 0.62969635 0.86909019 1\n C C2 1 0.48217056 0.47675157 0.15045094 1\n C C3 1 1.07895843 -0.03031549 0.04917983 1\n C C4 1 0.33302429 0.16781656 0.63916682 1\n C C5 1 0.14388497 0.59717607 0.35088521 1\n C C6 1 0.41159449 0.50895424 0.66916706 1\n C C7 1 0.22456330 -0.06227349 0.38224452 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48931000\n_cell_length_b 3.59171000\n_cell_length_c 5.60189000\n_cell_angle_alpha 103.36946000\n_cell_angle_beta 131.82275000\n_cell_angle_gamma 69.69858000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00593405\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55676772 0.71565001 0.13475518 1\n C C1 1 0.61418997 0.34633266 0.71638042 1\n C C2 1 0.24438318 1.08621957 0.71660793 1\n C C3 1 0.05085539 0.34614333 0.34067844 1\n C C4 1 0.73799094 0.71565705 0.92230588 1\n C C5 1 0.68093920 0.08603327 0.34076615 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27128000\n_cell_length_b 4.23422000\n_cell_length_c 3.27462000\n_cell_angle_alpha 95.26707000\n_cell_angle_beta 99.16539000\n_cell_angle_gamma 123.89747000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25371406\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32981185 0.70916036 0.31342964 1\n C C1 1 1.08250424 0.09057279 0.89829109 1\n C C2 1 0.51867462 0.47201900 0.16444572 1\n C C3 1 0.87987300 0.47232503 0.52633153 1\n C C4 1 -0.03152717 0.70910552 -0.04718732 1\n C C5 1 -0.23388433 0.09068761 0.58132134 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29135000\n_cell_length_b 4.84177000\n_cell_length_c 5.06287000\n_cell_angle_alpha 64.00263000\n_cell_angle_beta 89.14162000\n_cell_angle_gamma 93.66116000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.28675655\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26741003 0.79856181 0.01825430 1\n C C1 1 0.26858741 0.31721424 0.01842100 1\n C C2 1 0.02413377 0.58384503 0.26084793 1\n C C3 1 0.77793963 0.07380518 0.50255282 1\n C C4 1 0.66265082 0.76030350 0.61238551 1\n C C5 1 0.41119494 0.63183820 0.86883593 1\n C C6 1 0.77662862 0.55544333 0.50206409 1\n C C7 1 0.37831569 0.11277812 0.90681112 1\n C C8 1 0.63004907 0.24122565 0.65021324 1\n C C9 1 1.02451112 0.28774144 0.26151927 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.98043000\n_cell_length_b 4.80380000\n_cell_length_c 4.44722000\n_cell_angle_alpha 83.73573000\n_cell_angle_beta 113.54312000\n_cell_angle_gamma 107.26679000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.73854079\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07909942 0.07194795 0.63238208 1\n C C1 1 0.56887635 0.81113580 0.11949311 1\n C C2 1 0.47131823 0.58711301 0.61994368 1\n C C3 1 0.45536466 0.07128354 0.95736332 1\n C C4 1 0.71077860 0.32732250 0.13281465 1\n C C5 1 0.09157146 0.32679394 0.45721797 1\n C C6 1 0.60086948 0.58895121 -0.03023822 1\n C C7 1 0.69986420 0.81272716 0.46931271 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41631000\n_cell_length_b 5.93559000\n_cell_length_c 6.67920000\n_cell_angle_alpha 118.25700000\n_cell_angle_beta 104.45253000\n_cell_angle_gamma 81.19469000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.64032807\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98946098 0.12288968 0.20435099 1\n C C1 1 0.61405670 1.02231875 0.66561044 1\n C C2 1 0.69589392 0.49635016 0.07327425 1\n C C3 1 0.36993780 0.55889774 0.66362526 1\n C C4 1 0.52624994 0.00131390 0.20554213 1\n C C5 1 0.16978628 0.60917520 0.46193061 1\n C C6 1 0.60327111 -0.22667583 0.23704403 1\n C C7 1 0.61075053 0.77147271 0.46250151 1\n C C8 1 0.12598692 1.14103267 0.75318789 1\n C C9 1 0.11826986 0.41826735 0.91771016 1\n C C10 1 0.95050442 0.38243047 0.23577868 1\n C C11 1 0.94575414 0.52814972 0.75124164 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.61052000\n_cell_length_b 3.67818000\n_cell_length_c 4.65406000\n_cell_angle_alpha 66.67585000\n_cell_angle_beta 74.38885000\n_cell_angle_gamma 89.85819000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.24776223\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59157863 0.88950961 0.79228068 1\n C C1 1 0.59255506 0.51470400 0.79247957 1\n C C2 1 0.47742119 0.08546711 0.02474389 1\n C C3 1 -0.12239781 -0.02092573 0.23695662 1\n C C4 1 0.76100533 0.55043507 0.46993271 1\n C C5 1 0.76050890 0.17610005 0.46940691 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42523000\n_cell_length_b 3.50168000\n_cell_length_c 4.63234000\n_cell_angle_alpha 67.91422000\n_cell_angle_beta 89.78589000\n_cell_angle_gamma 85.20963000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.28077303\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13369230 0.04914015 0.24842952 1\n C C1 1 0.21883278 0.15211454 0.92144656 1\n C C2 1 0.79136946 0.39349127 0.23695584 1\n C C3 1 0.41723356 0.24819706 0.41518102 1\n C C4 1 -0.01453168 0.48663118 0.73095688 1\n C C5 1 1.07495533 0.59147423 0.40398702 1\n C C6 1 0.73114221 0.64721412 0.89385919 1\n C C7 1 0.47593565 0.99283115 0.75943357 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44305000\n_cell_length_b 4.17069000\n_cell_length_c 7.09839000\n_cell_angle_alpha 83.67331000\n_cell_angle_beta 69.92014000\n_cell_angle_gamma 90.01537000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.46057074\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52744224 1.02800864 0.73484100 1\n C C1 1 0.73916400 0.17671402 0.51858451 1\n C C2 1 0.68473462 0.50256705 1.08123017 1\n C C3 1 0.87142130 0.88149900 0.38676308 1\n C C4 1 0.32023838 0.69123798 0.43696014 1\n C C5 1 0.16688518 0.34381277 1.09817248 1\n C C6 1 0.70947495 0.85955416 0.05353883 1\n C C7 1 0.11321283 -0.01022098 0.14986045 1\n C C8 1 0.27045143 0.37336545 0.48762277 1\n C C9 1 0.93132127 -0.02795160 0.83180877 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51751000\n_cell_length_b 4.75472000\n_cell_length_c 5.41333000\n_cell_angle_alpha 90.99027000\n_cell_angle_beta 103.20251000\n_cell_angle_gamma 105.33012000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.63202306\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53515824 0.64849526 0.37463358 1\n C C1 1 0.73413335 0.77550515 0.64383353 1\n C C2 1 0.80672209 0.67862219 0.88129566 1\n C C3 1 0.82559173 0.18462354 0.41815422 1\n C C4 1 -0.10266059 0.08683881 0.65530357 1\n C C5 1 0.90759343 0.46622144 0.30010775 1\n C C6 1 1.02832644 -0.06338338 0.06734688 1\n C C7 1 0.60407581 0.92670697 0.23191926 1\n C C8 1 0.72394672 0.39693526 -0.00060580 1\n C C9 1 1.09636957 0.21447324 0.92472145 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37449000\n_cell_length_b 5.25762000\n_cell_length_c 4.81557000\n_cell_angle_alpha 96.24108000\n_cell_angle_beta 106.46268000\n_cell_angle_gamma 96.01055000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.62152546\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81298059 0.54442252 0.91603640 1\n C C1 1 0.62409655 0.14743886 0.12092193 1\n C C2 1 0.91921246 0.82805765 0.38740703 1\n C C3 1 0.46481340 0.57542467 0.61509040 1\n C C4 1 0.22105153 0.94577824 0.96663450 1\n C C5 1 0.10657199 0.35553627 0.88213311 1\n C C6 1 0.80781331 0.09837543 0.41728523 1\n C C7 1 0.26997591 0.83128106 0.66282137 1\n C C8 1 0.21516955 0.28888139 0.60286998 1\n C C9 1 0.52820822 0.62968186 0.32344100 1\n C C10 1 0.88305085 0.11668661 -0.08259491 1\n C C11 1 1.12138960 0.75220539 0.14861323 1\n C C12 1 0.53074438 0.42079469 0.08791685 1\n C C13 1 0.54209756 0.08071477 0.63182519 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.81320000\n_cell_length_b 5.79228000\n_cell_length_c 6.26359000\n_cell_angle_alpha 91.66822000\n_cell_angle_beta 65.30800000\n_cell_angle_gamma 65.16634000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 139.48635477\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45401664 0.92266893 0.48070533 1\n C C1 1 0.15700675 0.57092003 0.23224164 1\n C C2 1 0.90742330 0.24163444 0.06469684 1\n C C3 1 0.92283343 0.89233063 0.79127183 1\n C C4 1 0.84329519 0.51902107 0.60186591 1\n C C5 1 0.38246595 0.26977747 1.09705322 1\n C C6 1 0.14918958 0.87223228 0.53293450 1\n C C7 1 0.70257827 0.68278775 0.07321139 1\n C C8 1 0.03141201 0.70396743 0.92786479 1\n C C9 1 0.79508480 0.61328064 0.38690548 1\n C C10 1 0.85818863 0.06401004 0.24866160 1\n C C11 1 0.30933747 0.59285966 0.38887462 1\n C C12 1 1.13853670 0.77753730 0.09535402 1\n C C13 1 0.51991940 1.01075388 0.67137592 1\n C C14 1 0.74117860 0.19464410 0.91345394 1\n C C15 1 0.25379681 0.22769314 0.90953013 1\n C C16 1 0.68428545 0.51236665 0.23503056 1\n C C17 1 0.46812695 0.14030620 0.33586152 1\n C C18 1 0.68916312 0.33531040 0.69466765 1\n C C19 1 0.29029030 0.43520498 0.76667099 1\n C C20 1 0.23570198 0.40571883 0.53637524 1\n C C21 1 0.67848070 0.79946131 0.76191620 1\n C C22 1 0.84014204 0.08157603 0.50623623 1\n C C23 1 0.47352153 0.77649813 -0.00450716 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51451000\n_cell_length_b 6.13314000\n_cell_length_c 5.58211000\n_cell_angle_alpha 121.85425000\n_cell_angle_beta 55.04898000\n_cell_angle_gamma 116.94409000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.51077333\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18290586 0.23607693 0.51222785 1\n C C1 1 0.21185529 0.45839968 0.21785258 1\n C C2 1 0.86508082 0.63062788 0.25980335 1\n C C3 1 0.76148099 0.10221647 0.75620566 1\n C C4 1 0.39018093 0.79032259 0.07313769 1\n C C5 1 0.83461766 0.69052266 0.73528660 1\n C C6 1 0.59758897 0.79677422 0.61892301 1\n C C7 1 0.51827390 1.04806959 0.18794554 1\n C C8 1 0.09820645 0.18605567 0.97034800 1\n C C9 1 0.82203522 0.40429670 0.52655541 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47668000\n_cell_length_b 4.89119000\n_cell_length_c 6.68405000\n_cell_angle_alpha 64.45066000\n_cell_angle_beta 81.81274000\n_cell_angle_gamma 68.46887000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.94240892\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44449051 0.91906017 0.57686520 1\n C C1 1 0.43197159 0.42715045 0.57719195 1\n C C2 1 0.76199796 0.54608817 0.66566174 1\n C C3 1 0.10004330 0.43135299 0.24659276 1\n C C4 1 0.70795997 0.41257135 0.92245298 1\n C C5 1 0.48098954 0.56082458 0.32031453 1\n C C6 1 0.34129528 0.92532673 0.20189239 1\n C C7 1 0.74623340 0.05474768 0.66620676 1\n C C8 1 0.88265912 0.89517488 0.89628486 1\n C C9 1 0.30307707 0.07874467 0.34681702 1\n C C10 1 0.84851462 1.04795558 0.04149239 1\n C C11 1 0.08940034 0.54264906 0.99522573 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42495000\n_cell_length_b 4.21402000\n_cell_length_c 4.21630000\n_cell_angle_alpha 89.95171000\n_cell_angle_beta 89.96424000\n_cell_angle_gamma 89.91745000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.08540662\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86230735 0.11322078 0.33442566 1\n C C1 1 0.36228868 0.67767347 0.89693746 1\n C C2 1 0.86211401 0.70452470 0.74084049 1\n C C3 1 0.36217353 0.26926307 0.30688698 1\n C C4 1 -0.13792833 0.76546660 0.39347229 1\n C C5 1 0.36232595 0.61692938 0.24477802 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63341000\n_cell_length_b 3.27397000\n_cell_length_c 3.27037000\n_cell_angle_alpha 80.80649000\n_cell_angle_beta 104.52547000\n_cell_angle_gamma 104.54793000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25739680\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23520070 0.56629006 0.93244715 1\n C C1 1 0.47170690 0.71485747 0.35835246 1\n C C2 1 0.47151185 0.35300770 0.71997442 1\n C C3 1 0.23532308 0.92685309 0.57196451 1\n C C4 1 0.85364182 0.98045487 0.30295428 1\n C C5 1 0.85341556 0.29771540 0.98606598 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49034000\n_cell_length_b 4.00229000\n_cell_length_c 6.74306000\n_cell_angle_alpha 95.82840000\n_cell_angle_beta 68.33000000\n_cell_angle_gamma 89.99651000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.08443580\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49605062 0.72714315 0.32268320 1\n C C1 1 0.97708360 -0.04138327 0.83898886 1\n C C2 1 0.29679689 0.47999861 0.02140080 1\n C C3 1 0.47497848 0.16580429 0.84120181 1\n C C4 1 0.86555873 0.64912568 -0.04729807 1\n C C5 1 0.43820741 0.05191290 0.38147017 1\n C C6 1 0.66549147 0.41344636 0.65331849 1\n C C7 1 0.04432028 0.53162292 0.27437270 1\n C C8 1 0.89897114 0.24536794 0.41994960 1\n C C9 1 0.10589697 0.61074062 0.71316105 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45637000\n_cell_length_b 3.65687000\n_cell_length_c 6.32671000\n_cell_angle_alpha 75.83531000\n_cell_angle_beta 89.96999000\n_cell_angle_gamma 109.62097000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.68985035\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95881795 0.89131499 0.61095799 1\n C C1 1 0.23276991 0.44319080 0.93197995 1\n C C2 1 0.61281104 0.20199588 0.27129339 1\n C C3 1 0.01126215 -0.00339958 -0.01481780 1\n C C4 1 0.45803663 -0.10890546 0.13125254 1\n C C5 1 0.51407100 1.00064832 0.50737235 1\n C C6 1 0.23285641 0.44422949 0.18426668 1\n C C7 1 0.85533932 0.68610915 0.84605060 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48199000\n_cell_length_b 3.68806000\n_cell_length_c 4.89782000\n_cell_angle_alpha 66.86078000\n_cell_angle_beta 59.50351000\n_cell_angle_gamma 70.34330000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98860709\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11071333 0.91946894 0.20325906 1\n C C1 1 0.09446045 0.36515113 0.99670155 1\n C C2 1 0.38475460 0.52255355 0.12728751 1\n C C3 1 0.42503794 0.43310380 0.63206938 1\n C C4 1 0.13353132 0.27685342 0.50116569 1\n C C5 1 0.40819586 0.87906186 0.42567190 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.71420000\n_cell_length_b 5.35086000\n_cell_length_c 4.20441000\n_cell_angle_alpha 66.84592000\n_cell_angle_beta 89.98344000\n_cell_angle_gamma 69.81104000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.21484252\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48438053 0.38962805 0.09221198 1\n C C1 1 -0.16716424 0.69773771 0.30492327 1\n C C2 1 0.02685427 0.89506020 0.70519179 1\n C C3 1 0.46177917 0.69044072 0.80990399 1\n C C4 1 0.83232848 0.69794165 0.93783119 1\n C C5 1 1.10617728 0.39750186 0.95626320 1\n C C6 1 0.87518421 0.19346105 0.69101301 1\n C C7 1 0.46212575 0.69043943 0.44033392 1\n C C8 1 0.10670684 0.39734150 0.58712671 1\n C C9 1 0.02699005 -0.10500412 0.34034089 1\n C C10 1 0.87472976 0.19346829 0.05604591 1\n C C11 1 0.48476721 0.38965227 0.45890524 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48563000\n_cell_length_b 6.26687000\n_cell_length_c 6.30632000\n_cell_angle_alpha 99.05427000\n_cell_angle_beta 101.33744000\n_cell_angle_gamma 90.07011000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 95.06477733\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90136739 0.59746251 0.84761766 1\n C C1 1 0.13538996 0.63408706 0.31600133 1\n C C2 1 -0.38471298 0.96631636 0.26888298 1\n C C3 1 0.57214817 0.55140593 0.18968985 1\n C C4 1 0.82508806 0.77818769 0.69190211 1\n C C5 1 0.15666928 -0.12326334 0.35422173 1\n C C6 1 0.46879080 0.65562423 -0.01762404 1\n C C7 1 0.96487015 0.23409957 0.96799403 1\n C C8 1 1.19917109 0.26884179 0.43488394 1\n C C9 1 0.25599475 0.76925582 0.55317293 1\n C C10 1 0.30431710 0.30629295 0.64768478 1\n C C11 1 0.86602951 0.35309298 0.77040821 1\n C C12 1 0.63775395 0.21171426 0.31349286 1\n C C13 1 0.49264397 0.89858614 0.02420061 1\n C C14 1 0.93913904 -0.02649851 0.91452609 1\n C C15 1 0.53440327 0.30629665 0.10656042 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.10119000\n_cell_length_b 4.64235000\n_cell_length_c 6.41736000\n_cell_angle_alpha 91.53809000\n_cell_angle_beta 104.76386000\n_cell_angle_gamma 105.27708000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.74364243\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89950661 0.60292028 0.79325495 1\n C C1 1 0.23388095 0.93586850 0.12684824 1\n C C2 1 0.06519065 0.76952146 0.45922895 1\n C C3 1 0.12099155 0.82446050 0.68157874 1\n C C4 1 0.95842691 0.65701245 1.01597681 1\n C C5 1 0.45577312 0.15723923 0.01548808 1\n C C6 1 0.56555470 0.26960116 0.45959202 1\n C C7 1 0.39796041 0.10302102 0.79300132 1\n C C8 1 0.73294692 0.43579184 0.12657387 1\n C C9 1 0.78940969 0.49068060 0.34892709 1\n C C10 1 0.62352875 0.32416388 0.68208521 1\n C C11 1 0.29224922 0.99048108 0.34937091 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42643000\n_cell_length_b 4.81836000\n_cell_length_c 6.25980000\n_cell_angle_alpha 70.89308000\n_cell_angle_beta 78.71894000\n_cell_angle_gamma 59.70808000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.67044650\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07379925 0.27970360 1.02545035 1\n C C1 1 0.57107984 0.61131026 0.06991494 1\n C C2 1 0.64657355 0.76075864 0.61465540 1\n C C3 1 -0.14023026 0.65121182 0.41407138 1\n C C4 1 0.45109848 0.61023103 0.31299035 1\n C C5 1 0.58406979 0.13494985 0.99892440 1\n C C6 1 1.05529201 0.80193801 0.71546058 1\n C C7 1 0.93701494 0.80187649 -0.04239690 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40586000\n_cell_length_b 3.35062000\n_cell_length_c 4.58255000\n_cell_angle_alpha 111.48113000\n_cell_angle_beta 90.83191000\n_cell_angle_gamma 87.91228000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.63004583\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26474926 0.19602296 0.48988160 1\n C C1 1 0.75368317 0.23029098 0.88590823 1\n C C2 1 0.41982638 0.96727972 0.69526605 1\n C C3 1 0.91990363 0.45568183 0.67163835 1\n C C4 1 0.57493947 0.53265443 0.49002455 1\n C C5 1 0.08684716 0.89556415 0.88580586 1\n C C6 1 0.27711341 0.85425611 0.17062296 1\n C C7 1 0.56554571 0.55600500 0.17103239 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45843000\n_cell_length_b 6.62826000\n_cell_length_c 4.45256000\n_cell_angle_alpha 76.55534000\n_cell_angle_beta 77.97355000\n_cell_angle_gamma 92.65918000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.67388061\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79109725 0.15772075 1.02972632 1\n C C1 1 0.03413961 0.84814770 0.31474649 1\n C C2 1 0.94779126 0.81484933 0.99644124 1\n C C3 1 0.01681882 0.64555605 0.54985304 1\n C C4 1 0.48838247 0.08866062 0.60063789 1\n C C5 1 0.09955137 0.44983758 0.42966366 1\n C C6 1 0.57578251 0.99276201 0.33056538 1\n C C7 1 0.89342486 0.61668049 -0.09123335 1\n C C8 1 0.52058499 0.32680953 0.57475492 1\n C C9 1 0.34593354 0.29236897 0.94697719 1\n C C10 1 0.30319445 0.48800319 1.06100966 1\n C C11 1 0.91040796 0.02153037 0.79911535 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43177000\n_cell_length_b 3.95662000\n_cell_length_c 4.68535000\n_cell_angle_alpha 95.69942000\n_cell_angle_beta 74.43893000\n_cell_angle_gamma 89.67455000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.18883721\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19512670 0.61573398 0.13749012 1\n C C1 1 1.08367178 0.39264729 0.35884591 1\n C C2 1 -0.13833210 0.94912127 0.80433281 1\n C C3 1 0.52930276 0.28039513 0.46959058 1\n C C4 1 0.41588973 0.06199336 0.69380391 1\n C C5 1 0.74953822 0.72762816 1.02656427 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48447000\n_cell_length_b 3.82382000\n_cell_length_c 5.98081000\n_cell_angle_alpha 111.73006000\n_cell_angle_beta 101.96350000\n_cell_angle_gamma 108.94577000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.32417763\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91975880 0.93535688 0.10170304 1\n C C1 1 0.53729169 1.00613181 0.26661422 1\n C C2 1 0.06338186 0.28132447 0.04408757 1\n C C3 1 0.44689844 0.21115021 0.87938964 1\n C C4 1 0.87434869 0.51844346 0.42940791 1\n C C5 1 0.10981663 0.69865449 0.71624833 1\n C C6 1 0.37881886 0.63440190 0.32300018 1\n C C7 1 0.60464782 0.58229969 0.82242680 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.25253000\n_cell_length_b 3.77416000\n_cell_length_c 6.39816000\n_cell_angle_alpha 77.62380000\n_cell_angle_beta 74.65228000\n_cell_angle_gamma 48.92720000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.53814877\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85368027 0.85395775 0.43833012 1\n C C1 1 0.17589147 0.57582226 0.05021648 1\n C C2 1 0.26501581 0.54683340 0.26263479 1\n C C3 1 0.46292936 0.03220005 0.36144926 1\n C C4 1 0.14632021 0.10732778 0.55067740 1\n C C5 1 0.34413908 -0.40689451 0.64978889 1\n C C6 1 0.86059301 0.55870327 0.05177267 1\n C C7 1 0.59049440 0.60969336 0.26466329 1\n C C8 1 0.75490819 0.28576166 0.47496905 1\n C C9 1 0.01909829 0.52958568 0.64767042 1\n C C10 1 0.74907037 0.57995009 0.86035464 1\n C C11 1 0.43332034 0.56357451 0.86193979 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38692000\n_cell_length_b 4.24490000\n_cell_length_c 4.42854000\n_cell_angle_alpha 96.70850000\n_cell_angle_beta 72.09153000\n_cell_angle_gamma 105.42020000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.36124469\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41292916 0.71405466 -0.11541907 1\n C C1 1 1.09652293 0.70935775 0.19566871 1\n C C2 1 0.41402759 0.26249987 0.43349649 1\n C C3 1 0.09806962 -0.05019369 0.43817014 1\n C C4 1 0.91077649 0.23420209 0.91086563 1\n C C5 1 -0.21841041 0.94338443 0.75015720 1\n C C6 1 0.78050197 0.39634102 0.20102025 1\n C C7 1 0.28360035 0.42256347 0.72445864 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49062000\n_cell_length_b 5.91761000\n_cell_length_c 8.10345000\n_cell_angle_alpha 123.55903000\n_cell_angle_beta 100.15670000\n_cell_angle_gamma 98.13510000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.71542471\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18830170 0.26194928 0.41305086 1\n C C1 1 0.73923919 0.76583590 0.21335201 1\n C C2 1 0.83939253 0.16042025 0.89261055 1\n C C3 1 0.02957446 0.67747938 0.74414127 1\n C C4 1 0.06639180 0.30439554 0.11645901 1\n C C5 1 0.46842711 0.79537193 0.54488510 1\n C C6 1 1.14726034 0.80066587 0.10709772 1\n C C7 1 0.03403696 1.03910465 0.44251958 1\n C C8 1 0.81133505 0.44081419 0.50529605 1\n C C9 1 1.00818736 0.57987204 0.87766083 1\n C C10 1 0.67629310 0.50012219 0.21459307 1\n C C11 1 0.84543546 0.62722697 0.43965093 1\n C C12 1 0.82821881 0.29182025 0.79249492 1\n C C13 1 0.60639792 0.84924108 0.75635700 1\n C C14 1 1.10151823 0.10897281 0.18439998 1\n C C15 1 0.60226589 1.05837017 0.56013462 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45760000\n_cell_length_b 4.44880000\n_cell_length_c 7.14606000\n_cell_angle_alpha 105.90578000\n_cell_angle_beta 110.18376000\n_cell_angle_gamma 105.95006000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 64.35044474\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72367022 0.69115971 0.08665420 1\n C C1 1 0.39926718 0.81833508 0.19886154 1\n C C2 1 0.71985457 0.03699409 0.40976024 1\n C C3 1 0.37649989 1.09004927 0.53944426 1\n C C4 1 0.40588366 0.47676353 0.87470312 1\n C C5 1 0.32035755 0.81361471 0.62242224 1\n C C6 1 0.75073625 0.42547322 0.74520181 1\n C C7 1 0.80497869 0.70181430 0.66246659 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48823000\n_cell_length_b 2.48785000\n_cell_length_c 6.57754000\n_cell_angle_alpha 67.77212000\n_cell_angle_beta 100.92249000\n_cell_angle_gamma 120.01940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.63532034\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30368932 0.30132405 0.57510702 1\n C C1 1 0.63702305 0.55150229 -0.00833489 1\n C C2 1 0.97035599 0.30132405 0.90844035 1\n C C3 1 0.63702265 0.30132405 0.24177369 1\n C C4 1 0.30368971 0.55150229 0.32499845 1\n C C5 1 -0.02964362 0.55150229 0.65833178 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48762000\n_cell_length_b 4.76022000\n_cell_length_c 4.69576000\n_cell_angle_alpha 103.53894000\n_cell_angle_beta 89.93343000\n_cell_angle_gamma 58.52165000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.59102703\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42344683 0.13415655 0.64295821 1\n C C1 1 0.41594627 0.14197017 0.29558363 1\n C C2 1 0.35104332 0.70743905 0.87286013 1\n C C3 1 0.08185776 0.47480703 0.22574449 1\n C C4 1 0.38039723 0.67584296 0.34035117 1\n C C5 1 1.07536497 0.48238091 -0.12178095 1\n C C6 1 0.14795451 0.90872655 0.64777065 1\n C C7 1 0.11742331 -0.05943472 0.18103847 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45517000\n_cell_length_b 5.67062000\n_cell_length_c 7.96668000\n_cell_angle_alpha 58.43598000\n_cell_angle_beta 89.99959000\n_cell_angle_gamma 89.98545000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 94.50559315\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20940591 0.57925212 1.05812466 1\n C C1 1 0.71000219 0.51426618 0.46190166 1\n C C2 1 0.70941273 0.48190682 0.03186818 1\n C C3 1 0.20974997 0.12384367 -0.02914422 1\n C C4 1 0.70963608 0.21656352 1.03158449 1\n C C5 1 0.71021294 0.92746833 0.63336667 1\n C C6 1 0.21018647 0.93309061 0.54174529 1\n C C7 1 0.20993970 1.01545200 0.35125845 1\n C C8 1 0.70982116 1.01129353 0.25589648 1\n C C9 1 0.20996788 0.42768182 0.56144880 1\n C C10 1 0.70971724 0.74100980 0.25177991 1\n C C11 1 0.71025924 0.03051346 0.74962836 1\n C C12 1 0.21009135 0.15888482 0.76830138 1\n C C13 1 0.20966123 0.77954241 0.12908530 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.11456000\n_cell_length_b 3.39841000\n_cell_length_c 3.39830000\n_cell_angle_alpha 93.87813000\n_cell_angle_beta 78.51591000\n_cell_angle_gamma 78.53365000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.35233330\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55975612 0.77514356 0.31968293 1\n C C1 1 0.55906233 0.29506508 0.80156279 1\n C C2 1 0.11100875 0.32305934 0.35028913 1\n C C3 1 0.76955216 0.91189823 0.93678086 1\n C C4 1 0.11452387 -0.03330426 0.99248377 1\n C C5 1 -0.22744848 0.55488297 0.58082691 1\n C C6 1 0.32378699 0.58417257 0.13003387 1\n C C7 1 0.32441906 0.10279562 0.61013924 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47504000\n_cell_length_b 4.24720000\n_cell_length_c 3.72195000\n_cell_angle_alpha 64.02532000\n_cell_angle_beta 90.01004000\n_cell_angle_gamma 90.00351000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17298311\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88884560 0.87883937 0.54614471 1\n C C1 1 0.88847738 0.87868393 0.95501542 1\n C C2 1 0.88879372 0.15651269 0.11165379 1\n C C3 1 0.38847338 0.65587509 0.15746158 1\n C C4 1 0.38876535 0.65555314 0.56636643 1\n C C5 1 0.38881718 0.37792048 1.00093637 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51489000\n_cell_length_b 3.31815000\n_cell_length_c 3.51862000\n_cell_angle_alpha 90.00243000\n_cell_angle_beta 120.00181000\n_cell_angle_gamma 89.99397000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53880560\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58526225 0.15925053 0.61696523 1\n C C1 1 0.88977714 0.49228727 -0.07878513 1\n C C2 1 0.12153573 0.65925749 0.68953587 1\n C C3 1 0.58493746 0.82702361 0.92113777 1\n C C4 1 0.81659034 0.99231726 0.38477259 1\n C C5 1 0.12169687 0.32691425 0.38485987 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46257000\n_cell_length_b 4.19835000\n_cell_length_c 7.83658000\n_cell_angle_alpha 105.17620000\n_cell_angle_beta 89.56490000\n_cell_angle_gamma 91.23807000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.17632177\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73289236 0.74193674 0.37702901 1\n C C1 1 0.30611165 0.22953532 0.37164777 1\n C C2 1 -0.20235937 0.86403934 0.90673801 1\n C C3 1 0.60986841 0.69814545 0.17889783 1\n C C4 1 0.79219177 0.43333019 0.43533707 1\n C C5 1 -0.04887926 0.14698064 0.07776444 1\n C C6 1 0.27787657 0.41359280 0.71404180 1\n C C7 1 0.44673291 0.06956331 0.17633614 1\n C C8 1 0.25668432 0.63659848 -0.09425946 1\n C C9 1 0.77711877 0.89881428 0.71906508 1\n C C10 1 0.78479730 0.53115696 0.63554669 1\n C C11 1 0.25218796 0.94149188 0.45189957 1\n C C12 1 0.10593291 0.52292440 0.07946024 1\n C C13 1 0.27399501 0.04460641 0.65991662 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46828000\n_cell_length_b 5.02702000\n_cell_length_c 12.92102000\n_cell_angle_alpha 101.55531000\n_cell_angle_beta 105.07653000\n_cell_angle_gamma 88.49894000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 151.61216084\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.12848629 0.66110199 0.04031236 1\n C C1 1 -0.03406000 0.41399550 0.95939300 1\n C C2 1 0.58211212 0.79371987 1.00508001 1\n C C3 1 0.49373574 1.16801760 0.67749815 1\n C C4 1 0.19100195 0.17622730 0.45253009 1\n C C5 1 0.64229052 0.16809858 0.79287441 1\n C C6 1 -0.11175096 0.94242687 0.86329569 1\n C C7 1 0.42328595 0.87932829 0.24854452 1\n C C8 1 1.14660038 0.86443326 0.42321935 1\n C C9 1 0.79144423 0.58025388 0.52967635 1\n C C10 1 0.62855363 0.08828934 0.03887323 1\n C C11 1 0.44751989 0.75727981 0.87654878 1\n C C12 1 -0.08293106 0.05236149 0.24755065 1\n C C13 1 0.50664551 0.44891901 0.31967085 1\n C C14 1 0.79371349 0.21582790 0.15920108 1\n C C15 1 0.33227898 0.38955951 0.19241915 1\n C C16 1 0.04553817 0.29277688 0.34575449 1\n C C17 1 0.78106827 0.27703011 0.52031320 1\n C C18 1 0.92833978 0.19645595 0.62778168 1\n C C19 1 1.04982358 0.14608252 0.97758242 1\n C C20 1 0.26655136 0.69887948 0.51181747 1\n C C21 1 0.55650544 0.76413805 0.35440128 1\n C C22 1 0.29145170 0.64590372 0.15645380 1\n C C23 1 0.62339155 0.43327652 0.85998031 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.68615000\n_cell_length_b 4.58397000\n_cell_length_c 3.35388000\n_cell_angle_alpha 68.57237000\n_cell_angle_beta 46.45621000\n_cell_angle_gamma 75.38687000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.61226522\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48872967 0.03302881 1.15800138 1\n C C1 1 0.13366706 0.53230087 0.41237154 1\n C C2 1 0.63370429 0.50927920 0.42391654 1\n C C3 1 0.47905699 0.71425153 1.14458418 1\n C C4 1 0.77939302 1.03289474 0.16544746 1\n C C5 1 0.96741727 0.31858661 0.01806484 1\n C C6 1 0.78798711 0.71436675 0.49893570 1\n C C7 1 0.30067319 0.31866801 0.01940026 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48460000\n_cell_length_b 4.59495000\n_cell_length_c 5.48695000\n_cell_angle_alpha 110.44567000\n_cell_angle_beta 89.99622000\n_cell_angle_gamma 105.67828000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.20252318\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05339819 -0.00461431 0.13626530 1\n C C1 1 0.26880840 0.64249099 0.52401774 1\n C C2 1 0.98539306 0.07649322 -0.11224577 1\n C C3 1 0.76082806 0.62416190 0.09953217 1\n C C4 1 0.71862738 0.54349488 0.34940405 1\n C C5 1 0.43698685 0.97831020 0.71409244 1\n C C6 1 0.52841697 0.15962906 0.28415658 1\n C C7 1 0.17840532 0.45992855 -0.04811387 1\n C C8 1 1.15030299 0.41056986 0.66713655 1\n C C9 1 0.54964156 0.20855735 0.56961931 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.40891000\n_cell_length_b 6.25180000\n_cell_length_c 6.70324000\n_cell_angle_alpha 118.93340000\n_cell_angle_beta 111.11054000\n_cell_angle_gamma 90.10704000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.48069476\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88635875 0.87539543 0.65562220 1\n C C1 1 0.82022151 0.30979749 1.09036983 1\n C C2 1 1.02130376 0.82800451 0.28934673 1\n C C3 1 0.78856238 0.05786221 0.05886818 1\n C C4 1 0.13705623 0.90617971 0.90696871 1\n C C5 1 0.33684298 0.42438055 1.10607273 1\n C C6 1 1.03601955 0.07333403 0.30404980 1\n C C7 1 0.88452251 0.42373922 0.65556766 1\n C C8 1 0.36989080 0.67634363 0.13754035 1\n C C9 1 0.12187273 0.66087096 0.89240325 1\n C C10 1 0.27150974 0.31024513 0.54104152 1\n C C11 1 0.27205227 0.85864763 0.54060633 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49038000\n_cell_length_b 4.35632000\n_cell_length_c 5.91573000\n_cell_angle_alpha 123.80447000\n_cell_angle_beta 114.92048000\n_cell_angle_gamma 106.58004000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01742372\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28244905 0.61776621 0.13108886 1\n C C1 1 0.58089961 0.73449827 0.87173228 1\n C C2 1 0.12898183 0.57001370 0.50149793 1\n C C3 1 0.47014771 -0.00606355 0.13133305 1\n C C4 1 0.73477768 0.78219600 0.50144059 1\n C C5 1 0.39325911 0.35844388 0.87152169 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46122000\n_cell_length_b 4.48680000\n_cell_length_c 3.35771000\n_cell_angle_alpha 111.99267000\n_cell_angle_beta 104.49054000\n_cell_angle_gamma 84.63919000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.28731331\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84648385 0.22425020 0.07670913 1\n C C1 1 0.42780942 0.22384714 0.34947202 1\n C C2 1 0.63469519 0.45728193 0.82972057 1\n C C3 1 0.92771276 -0.09884490 0.68760853 1\n C C4 1 0.13434484 0.66785359 0.93384810 1\n C C5 1 0.34630164 0.90103514 0.41394245 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45792000\n_cell_length_b 5.90983000\n_cell_length_c 5.15182000\n_cell_angle_alpha 101.76666000\n_cell_angle_beta 92.53426000\n_cell_angle_gamma 109.61894000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.49188450\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13803823 0.31507529 0.14654426 1\n C C1 1 0.45986846 0.57282874 0.18115344 1\n C C2 1 0.08351113 0.21164249 0.37516517 1\n C C3 1 0.39400074 0.45157255 0.60382766 1\n C C4 1 0.30185923 0.01960094 0.82192967 1\n C C5 1 0.40754308 0.03548612 0.34253374 1\n C C6 1 0.01541067 0.63409469 1.02944442 1\n C C7 1 0.23283324 0.89515905 0.04904180 1\n C C8 1 0.91277930 0.44048531 0.76918917 1\n C C9 1 0.89944492 0.19850026 -0.12675389 1\n C C10 1 0.58642382 0.68769771 0.47773694 1\n C C11 1 1.22140648 0.85421396 0.53909094 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.49607000\n_cell_length_b 4.91217000\n_cell_length_c 4.83728000\n_cell_angle_alpha 100.91999000\n_cell_angle_beta 65.09144000\n_cell_angle_gamma 89.18169000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.56658921\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67369108 0.76462754 0.38425992 1\n C C1 1 0.78474987 0.65254649 0.06848044 1\n C C2 1 0.02518150 0.40922050 0.55973466 1\n C C3 1 0.02679242 0.40926105 0.85482228 1\n C C4 1 0.27257984 1.16942716 0.82603086 1\n C C5 1 0.27076835 0.16769866 0.34541590 1\n C C6 1 0.78384124 0.65138090 0.58772731 1\n C C7 1 0.38483323 0.05777686 1.02914114 1\n C C8 1 0.63790059 0.80141740 0.90253389 1\n C C9 1 0.41996599 0.02055094 0.51099890 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42955000\n_cell_length_b 2.42985000\n_cell_length_c 8.43717000\n_cell_angle_alpha 89.32438000\n_cell_angle_beta 89.01285000\n_cell_angle_gamma 59.98807000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.12341403\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28930895 0.12102192 0.36538530 1\n C C1 1 0.31504095 1.05434400 0.03296131 1\n C C2 1 0.10324605 0.77352123 0.69926799 1\n C C3 1 0.95649775 0.78789827 0.36597367 1\n C C4 1 0.64895164 0.38753289 1.03233930 1\n C C5 1 0.77016166 0.43983558 0.69985494 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43538000\n_cell_length_b 3.02376000\n_cell_length_c 6.40087000\n_cell_angle_alpha 89.18872000\n_cell_angle_beta 100.74516000\n_cell_angle_gamma 111.01477000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.15798904\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86612122 0.90845517 0.53861545 1\n C C1 1 0.30885453 0.90873627 0.42672455 1\n C C2 1 0.53246865 -0.09163978 0.87152466 1\n C C3 1 0.19901177 0.90860794 0.20476596 1\n C C4 1 0.64225255 -0.09080987 0.09345545 1\n C C5 1 0.97576869 -0.09130064 0.76053192 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43136000\n_cell_length_b 6.20712000\n_cell_length_c 4.01114000\n_cell_angle_alpha 71.03211000\n_cell_angle_beta 90.00414000\n_cell_angle_gamma 89.99972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.24809281\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27758936 0.32123789 0.95599971 1\n C C1 1 -0.22230853 0.07299005 0.70343710 1\n C C2 1 0.27763109 0.82080888 0.45696059 1\n C C3 1 0.77755820 0.40458583 0.04053450 1\n C C4 1 0.27772709 0.15469933 0.78992655 1\n C C5 1 0.27775020 0.65320410 0.29306443 1\n C C6 1 0.77760998 0.90507377 0.53961510 1\n C C7 1 0.77769771 0.57127656 0.20686753 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43717000\n_cell_length_b 4.24623000\n_cell_length_c 4.68913000\n_cell_angle_alpha 117.20860000\n_cell_angle_beta 90.77134000\n_cell_angle_gamma 74.05323000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.01727818\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89002587 0.91506181 0.78641334 1\n C C1 1 -0.08211589 0.41095496 0.30923807 1\n C C2 1 0.35923217 0.72770352 0.07356452 1\n C C3 1 0.36549076 0.41280166 0.76342983 1\n C C4 1 0.59976617 0.04370475 0.62666773 1\n C C5 1 0.60654661 0.72892526 0.31558732 1\n C C6 1 1.04780695 0.04557288 1.07966082 1\n C C7 1 0.07850006 0.54091157 0.60132948 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63187000\n_cell_length_b 3.27669000\n_cell_length_c 3.26991000\n_cell_angle_alpha 80.81299000\n_cell_angle_beta 104.48462000\n_cell_angle_gamma 104.54604000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.27383288\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70901130 0.85904679 0.38446284 1\n C C1 1 0.70966265 0.22040606 0.02311124 1\n C C2 1 0.09081255 0.80494994 0.65171803 1\n C C3 1 1.09113792 0.48698191 0.96745800 1\n C C4 1 0.47296137 0.43358470 0.23442063 1\n C C5 1 0.47265032 0.07331921 0.59623566 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.22344000\n_cell_length_b 3.25884000\n_cell_length_c 5.12114000\n_cell_angle_alpha 114.02969000\n_cell_angle_beta 66.13767000\n_cell_angle_gamma 111.48456000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.60637980\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16259007 0.50325670 0.28210810 1\n C C1 1 0.10603192 0.94243883 0.78152059 1\n C C2 1 0.89567105 0.53566082 0.58689077 1\n C C3 1 0.54479923 0.88600281 0.28224375 1\n C C4 1 0.51243609 0.15389804 0.58697630 1\n C C5 1 0.95149076 0.09692401 0.08800119 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45979000\n_cell_length_b 5.80966000\n_cell_length_c 7.17220000\n_cell_angle_alpha 105.40590000\n_cell_angle_beta 99.82504000\n_cell_angle_gamma 102.21389000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.73469202\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39803961 0.15585566 0.74554526 1\n C C1 1 1.04578654 0.00079645 0.18451586 1\n C C2 1 0.69056235 0.33753211 0.13425726 1\n C C3 1 0.62468021 0.79933131 0.55120090 1\n C C4 1 0.46245034 0.69394459 0.32766217 1\n C C5 1 0.29115811 0.41295908 0.26286577 1\n C C6 1 0.51628366 0.05172663 0.07150828 1\n C C7 1 0.04232700 0.49255616 0.69516586 1\n C C8 1 0.36274178 0.96966676 0.85230828 1\n C C9 1 -0.06358760 0.75101798 0.21543964 1\n C C10 1 -0.20216662 0.08086157 0.61753871 1\n C C11 1 0.15105145 0.74221318 0.66347557 1\n C C12 1 0.57252847 0.44210728 0.80853894 1\n C C13 1 0.72526716 0.52337985 0.02729122 1\n C C14 1 1.25961847 0.23625563 0.37850336 1\n C C15 1 0.83023477 0.25715265 0.50173292 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51053000\n_cell_length_b 7.00692000\n_cell_length_c 6.37036000\n_cell_angle_alpha 61.95176000\n_cell_angle_beta 84.17399000\n_cell_angle_gamma 79.40156000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 97.19834833\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45679171 0.54211007 0.41091900 1\n C C1 1 0.55629268 -0.01359038 0.94880403 1\n C C2 1 0.12833574 -0.00465600 0.61933829 1\n C C3 1 0.66199177 0.75736058 0.98231855 1\n C C4 1 0.83647452 0.47316787 0.85672016 1\n C C5 1 -0.00090730 0.08768748 0.99044431 1\n C C6 1 0.81832035 0.36671458 0.12513378 1\n C C7 1 0.30593674 0.71616623 0.48546939 1\n C C8 1 0.29444821 0.60938339 0.75394880 1\n C C9 1 -0.03696974 0.13175559 0.20003942 1\n C C10 1 -0.05777429 0.31017535 0.77290379 1\n C C11 1 0.67660273 0.54058605 0.19966245 1\n C C12 1 0.16162722 0.95119919 0.41056952 1\n C C13 1 0.46940781 0.32535623 0.62783743 1\n C C14 1 0.57053347 0.09634973 0.66154222 1\n C C15 1 1.19082339 0.77274932 0.83676196 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31830000\n_cell_length_b 3.31805000\n_cell_length_c 5.02788000\n_cell_angle_alpha 111.85811000\n_cell_angle_beta 68.15230000\n_cell_angle_gamma 97.35353000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.68482346\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61368789 0.86126357 0.29669079 1\n C C1 1 0.25629311 0.21591161 0.46266364 1\n C C2 1 0.08051895 0.39231569 0.81377218 1\n C C3 1 0.90291241 0.86175636 0.46237252 1\n C C4 1 0.27228478 0.20449964 -0.02008286 1\n C C5 1 0.25715335 0.50440796 0.29653697 1\n C C6 1 0.91395555 -0.15349494 -0.01990703 1\n C C7 1 0.72634205 0.03791221 0.81363948 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47357000\n_cell_length_b 6.16700000\n_cell_length_c 7.74007000\n_cell_angle_alpha 84.04335000\n_cell_angle_beta 90.00301000\n_cell_angle_gamma 78.49384000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 115.04732477\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73178574 0.79060650 0.53543668 1\n C C1 1 1.17323847 0.91677671 0.26116628 1\n C C2 1 0.50942783 0.25170426 0.46582346 1\n C C3 1 1.19525363 0.87796563 0.96739644 1\n C C4 1 0.21362901 0.82702463 0.44633012 1\n C C5 1 0.02394836 0.22240969 0.73392873 1\n C C6 1 0.26240448 0.73974346 0.14369406 1\n C C7 1 0.82544256 0.61178244 0.15693506 1\n C C8 1 0.01187225 0.24722246 0.55551483 1\n C C9 1 0.49972092 0.26522004 0.27382033 1\n C C10 1 -0.05589461 0.37679522 0.20936087 1\n C C11 1 0.52000545 0.22976423 0.83494815 1\n C C12 1 0.61017126 0.04504266 0.19755764 1\n C C13 1 0.76038585 0.74499020 0.71425451 1\n C C14 1 0.40096816 0.45627263 -0.07946748 1\n C C15 1 0.27681913 0.71321874 0.81583805 1\n C C16 1 0.90284721 0.45247314 1.02184735 1\n C C17 1 0.62221589 0.02390087 0.98414381 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43834000\n_cell_length_b 5.95541000\n_cell_length_c 4.84201000\n_cell_angle_alpha 73.09092000\n_cell_angle_beta 82.87817000\n_cell_angle_gamma 73.02450000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.28283963\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71674494 0.12837319 0.13095002 1\n C C1 1 0.45695646 0.77243712 0.41940019 1\n C C2 1 0.51670332 0.21346546 0.41322846 1\n C C3 1 0.32243287 0.97134841 0.15244446 1\n C C4 1 0.94995109 0.23313083 0.55290245 1\n C C5 1 0.02011064 0.67759139 0.95092413 1\n C C6 1 0.44285308 0.78085206 0.99710054 1\n C C7 1 0.73984763 0.32268546 0.83229749 1\n C C8 1 0.13496496 0.48102930 0.80514396 1\n C C9 1 1.00612793 0.67616208 0.53361142 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48324000\n_cell_length_b 4.93977000\n_cell_length_c 6.07124000\n_cell_angle_alpha 66.29550000\n_cell_angle_beta 89.98186000\n_cell_angle_gamma 59.79221000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.97897891\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71267986 0.34191727 0.92124707 1\n C C1 1 0.52571627 0.52888542 0.63845192 1\n C C2 1 0.68437241 0.87135647 0.87805332 1\n C C3 1 0.74907546 0.80536892 0.26146412 1\n C C4 1 0.45856019 0.59576812 0.25445682 1\n C C5 1 0.49642156 0.05891023 0.59465239 1\n C C6 1 0.76951141 0.28587972 0.51374719 1\n C C7 1 0.41434876 0.64103048 0.98826450 1\n C C8 1 0.44049365 1.11456400 0.00263861 1\n C C9 1 0.79436014 0.75988248 0.52765035 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48758000\n_cell_length_b 4.30367000\n_cell_length_c 4.30354000\n_cell_angle_alpha 131.77203000\n_cell_angle_beta 73.27003000\n_cell_angle_gamma 106.73985000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60626713\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97115535 0.74402462 0.57455475 1\n C C1 1 0.30450073 0.07735079 0.24123151 1\n C C2 1 0.63762290 0.41070130 0.90790656 1\n C C3 1 0.47120404 0.99392556 0.82446466 1\n C C4 1 -0.19544770 0.32725907 0.49113947 1\n C C5 1 1.13766778 0.66059506 0.15780305 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.91702000\n_cell_length_b 3.74856000\n_cell_length_c 5.70068000\n_cell_angle_alpha 90.03176000\n_cell_angle_beta 109.52293000\n_cell_angle_gamma 93.68600000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.61340049\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44423898 -0.02129414 0.84711057 1\n C C1 1 0.44785684 -0.15298664 0.61621770 1\n C C2 1 0.44906413 0.66424894 0.23606224 1\n C C3 1 0.44575899 0.35220774 0.84682127 1\n C C4 1 0.44383488 0.66517936 0.99585908 1\n C C5 1 0.44704515 0.97762673 0.38504632 1\n C C6 1 0.44868636 0.35111933 0.38484921 1\n C C7 1 0.44515937 0.48282889 0.61573081 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45823000\n_cell_length_b 3.40046000\n_cell_length_c 5.95209000\n_cell_angle_alpha 107.99287000\n_cell_angle_beta 101.90990000\n_cell_angle_gamma 111.21635000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.17552386\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48029821 0.16510563 0.86824778 1\n C C1 1 0.72582568 0.37917470 0.14428302 1\n C C2 1 0.59031997 0.70291830 0.54707998 1\n C C3 1 0.34370279 0.48703141 0.27113219 1\n C C4 1 0.95349011 0.23742006 0.74087263 1\n C C5 1 0.11863503 0.63186319 0.67493361 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48065000\n_cell_length_b 3.68928000\n_cell_length_c 4.21707000\n_cell_angle_alpha 104.86270000\n_cell_angle_beta 89.98783000\n_cell_angle_gamma 70.32355000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96517632\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29588747 0.92554703 0.71719430 1\n C C1 1 0.81522774 0.88633337 0.49496419 1\n C C2 1 0.07295600 0.37105215 0.92370776 1\n C C3 1 0.61799160 1.28426668 0.41975507 1\n C C4 1 0.03990105 0.44044835 0.28855152 1\n C C5 1 0.49461765 0.52820652 0.79294306 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42990000\n_cell_length_b 4.85817000\n_cell_length_c 4.86118000\n_cell_angle_alpha 75.10616000\n_cell_angle_beta 120.07958000\n_cell_angle_gamma 120.05238000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.98052400\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13841972 0.70799208 0.54395357 1\n C C1 1 1.04531820 0.20445067 0.45383676 1\n C C2 1 0.54709753 0.76857096 0.89153019 1\n C C3 1 -0.27058588 0.36033499 0.48305919 1\n C C4 1 0.23125261 0.79789896 0.04746212 1\n C C5 1 0.63814542 0.85694814 0.39480988 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44725000\n_cell_length_b 5.61613000\n_cell_length_c 7.28049000\n_cell_angle_alpha 73.05605000\n_cell_angle_beta 80.77545000\n_cell_angle_gamma 78.41737000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 93.21582850\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00138379 0.69936791 0.32242212 1\n C C1 1 0.42560728 0.42016224 0.77892122 1\n C C2 1 0.30371676 0.24949252 0.19961253 1\n C C3 1 1.05961488 0.78393477 0.11745304 1\n C C4 1 0.78834271 0.82970721 0.65020612 1\n C C5 1 0.37065982 0.68025432 0.62449388 1\n C C6 1 0.57780703 0.19191963 0.70068148 1\n C C7 1 0.25019453 0.16466050 0.39485341 1\n C C8 1 0.46602368 0.67674418 0.41937600 1\n C C9 1 -0.11705141 0.38843234 0.89874826 1\n C C10 1 0.71906151 1.11159826 0.50966266 1\n C C11 1 0.58302838 0.83330964 0.01971129 1\n C C12 1 0.83226365 0.29816773 0.09303084 1\n C C13 1 0.63994738 0.94361296 0.81484406 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49124000\n_cell_length_b 3.59063000\n_cell_length_c 5.36520000\n_cell_angle_alpha 126.08411000\n_cell_angle_beta 90.00875000\n_cell_angle_gamma 110.26144000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.04174336\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38007840 0.30896131 0.33322082 1\n C C1 1 0.77478909 0.09701240 0.12111891 1\n C C2 1 1.29741198 0.14468191 0.53914569 1\n C C3 1 0.85676465 0.26121726 0.91504867 1\n C C4 1 -0.33181067 -0.11462178 0.53912971 1\n C C5 1 0.48533005 0.52024571 0.91498889 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.09847000\n_cell_length_b 3.74782000\n_cell_length_c 5.71158000\n_cell_angle_alpha 89.99218000\n_cell_angle_beta 89.46664000\n_cell_angle_gamma 118.54610000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.25941882\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13738571 0.38481212 0.09424377 1\n C C1 1 0.14902043 0.76253389 0.63289867 1\n C C2 1 0.14299906 0.07441884 0.24465357 1\n C C3 1 0.15174035 0.89584444 0.86356019 1\n C C4 1 1.14583919 1.07572527 0.48330225 1\n C C5 1 0.14088856 0.38626005 0.63304466 1\n C C6 1 0.14634231 0.76146565 0.09437301 1\n C C7 1 0.13437700 0.25132115 0.86362178 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.85296000\n_cell_length_b 4.02288000\n_cell_length_c 4.20403000\n_cell_angle_alpha 69.15168000\n_cell_angle_beta 91.21843000\n_cell_angle_gamma 72.67021000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.53702832\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65553867 0.94373858 0.24319871 1\n C C1 1 0.37159741 0.75544873 0.71661707 1\n C C2 1 0.68251841 0.43832927 0.72061603 1\n C C3 1 0.84126543 0.56711734 0.42833659 1\n C C4 1 0.36856873 0.07190644 0.40508096 1\n C C5 1 0.81700974 1.07254687 0.95336460 1\n C C6 1 0.13078201 0.43842585 0.26975241 1\n C C7 1 0.12876201 0.75567681 -0.04085938 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.61189000\n_cell_length_b 4.28868000\n_cell_length_c 7.48391000\n_cell_angle_alpha 73.21772000\n_cell_angle_beta 100.62775000\n_cell_angle_gamma 90.62166000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.80408008\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15699367 0.80655761 0.58599466 1\n C C1 1 0.90619306 0.23762144 0.07492489 1\n C C2 1 0.24986451 0.23257354 0.76786139 1\n C C3 1 -0.01019614 0.98082335 0.24283343 1\n C C4 1 0.16051436 0.48243534 0.58593374 1\n C C5 1 0.90269615 0.56162722 0.07492144 1\n C C6 1 -0.01181376 0.65096921 0.24285309 1\n C C7 1 0.24613315 0.87386273 0.76796095 1\n C C8 1 0.81442780 0.17036107 0.89313163 1\n C C9 1 0.07833529 0.39318173 0.41784338 1\n C C10 1 0.07683170 1.06327296 0.41786198 1\n C C11 1 -0.18932299 0.81158249 0.89324693 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.70170000\n_cell_length_b 3.33524000\n_cell_length_c 4.68275000\n_cell_angle_alpha 69.12536000\n_cell_angle_beta 75.27047000\n_cell_angle_gamma 44.83068000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.37208941\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43337680 0.56353713 0.46848189 1\n C C1 1 0.20795629 0.40917189 -0.01497122 1\n C C2 1 0.78589473 0.87952759 0.48171543 1\n C C3 1 0.16685300 0.46752618 0.65442669 1\n C C4 1 0.26809285 -0.11298928 0.15160078 1\n C C5 1 -0.08469513 0.92145272 0.13861683 1\n C C6 1 0.49323939 -0.20111202 0.63512525 1\n C C7 1 0.53445646 0.44420099 0.96561875 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43078000\n_cell_length_b 5.62283000\n_cell_length_c 4.20434000\n_cell_angle_alpha 91.77623000\n_cell_angle_beta 89.77630000\n_cell_angle_gamma 86.90944000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.35229782\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63329359 0.53774169 0.77098655 1\n C C1 1 0.97802899 0.04061728 0.67585379 1\n C C2 1 0.47801817 0.04065090 0.17577849 1\n C C3 1 0.63370918 0.53817916 0.43824609 1\n C C4 1 0.47760258 0.04021343 0.50851895 1\n C C5 1 0.97761021 0.04021317 1.00851241 1\n C C6 1 0.13370156 0.53817942 0.93825263 1\n C C7 1 0.13328278 0.53777531 0.27091125 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46353000\n_cell_length_b 5.67028000\n_cell_length_c 6.35386000\n_cell_angle_alpha 112.78232000\n_cell_angle_beta 78.80795000\n_cell_angle_gamma 115.72191000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.68705829\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12802211 0.24654789 0.15040776 1\n C C1 1 0.47912758 0.17253646 0.78256713 1\n C C2 1 0.85928354 0.68124801 0.04352205 1\n C C3 1 0.23323697 0.85928193 0.64703869 1\n C C4 1 0.14398746 0.31418997 0.73636899 1\n C C5 1 0.34672542 0.40785775 0.52383534 1\n C C6 1 0.29875880 0.79711139 0.39420079 1\n C C7 1 0.86377785 0.35592013 0.38678856 1\n C C8 1 0.41371706 0.23123977 0.03518360 1\n C C9 1 0.37228830 0.62612888 0.90645782 1\n C C10 1 0.84547336 0.78565007 0.27883705 1\n C C11 1 0.56920138 0.71840545 0.69411441 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45162000\n_cell_length_b 4.55091000\n_cell_length_c 6.14697000\n_cell_angle_alpha 139.64667000\n_cell_angle_beta 78.45738000\n_cell_angle_gamma 105.66460000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.75594437\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48726609 0.38222638 0.67134625 1\n C C1 1 0.23430856 0.25551087 0.05356089 1\n C C2 1 0.17460919 0.43605019 0.35365308 1\n C C3 1 0.76412302 0.12526311 0.86532261 1\n C C4 1 0.91961024 0.30938471 0.73522841 1\n C C5 1 0.64519670 0.56716304 0.54193536 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51352000\n_cell_length_b 6.02145000\n_cell_length_c 4.19760000\n_cell_angle_alpha 75.62514000\n_cell_angle_beta 96.11728000\n_cell_angle_gamma 74.68498000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.34021019\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06302134 0.85820065 0.20804371 1\n C C1 1 0.07604846 0.48542132 1.02536452 1\n C C2 1 0.83157207 0.11785722 0.19570478 1\n C C3 1 0.62914327 0.48857565 0.25054120 1\n C C4 1 0.36649119 0.15465175 0.68723771 1\n C C5 1 0.80015099 0.22851430 0.47863182 1\n C C6 1 0.69733813 0.89219320 -0.15582734 1\n C C7 1 0.76351705 0.69931098 0.73512198 1\n C C8 1 0.55848693 0.71444085 0.37236745 1\n C C9 1 1.25601813 0.23103038 0.99751818 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47417000\n_cell_length_b 4.28161000\n_cell_length_c 4.80337000\n_cell_angle_alpha 116.46379000\n_cell_angle_beta 75.06748000\n_cell_angle_gamma 89.99714000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.62411409\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52563100 0.62929309 -0.00633649 1\n C C1 1 0.58828945 0.89971043 0.86782196 1\n C C2 1 1.02560869 0.12931087 0.99361464 1\n C C3 1 0.33822507 0.81653275 0.36782488 1\n C C4 1 0.27573993 0.21286883 0.49359375 1\n C C5 1 0.83837820 0.31652922 0.36774166 1\n C C6 1 0.77555711 0.71289456 0.49370029 1\n C C7 1 0.08842835 0.39969936 0.86773482 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43848000\n_cell_length_b 4.68745000\n_cell_length_c 4.68842000\n_cell_angle_alpha 112.75644000\n_cell_angle_beta 74.89350000\n_cell_angle_gamma 105.08352000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.93940771\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50467214 0.58465756 0.33774664 1\n C C1 1 -0.14853590 0.81555602 0.87467783 1\n C C2 1 0.15582832 0.12176763 0.56801947 1\n C C3 1 0.66017905 0.55516336 0.99362365 1\n C C4 1 0.40188955 1.02842293 0.98354198 1\n C C5 1 0.34746208 0.24062175 0.30761991 1\n C C6 1 1.00424573 0.76202945 0.51485407 1\n C C7 1 0.60486843 0.23107100 0.78104144 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48739000\n_cell_length_b 4.30467000\n_cell_length_c 4.30550000\n_cell_angle_alpha 119.95282000\n_cell_angle_beta 106.80418000\n_cell_angle_gamma 106.78846000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60854629\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81474810 0.46450202 0.71552976 1\n C C1 1 0.81474810 1.13116869 1.04886309 1\n C C2 1 0.56470170 1.04771647 0.63209832 1\n C C3 1 0.56470170 0.38104981 0.29876499 1\n C C4 1 0.56470170 0.71438314 0.96543166 1\n C C5 1 0.81474810 0.79783536 0.38219642 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43024000\n_cell_length_b 4.20575000\n_cell_length_c 5.69127000\n_cell_angle_alpha 84.01123000\n_cell_angle_beta 100.99877000\n_cell_angle_gamma 89.82940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.77460885\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29251762 0.14261179 0.37540082 1\n C C1 1 0.79273859 0.97543270 0.37733812 1\n C C2 1 1.11624197 0.22418852 0.87276089 1\n C C3 1 0.29273256 0.47543279 0.37733420 1\n C C4 1 0.11617380 -0.10868061 0.87112249 1\n C C5 1 0.61617606 0.39131805 0.87112659 1\n C C6 1 0.61624220 0.72418561 0.87276735 1\n C C7 1 0.79252140 0.64261206 0.37539633 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47448000\n_cell_length_b 4.80500000\n_cell_length_c 4.28270000\n_cell_angle_alpha 63.52148000\n_cell_angle_beta 90.01378000\n_cell_angle_gamma 75.09295000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.65467257\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50492874 0.44663005 0.53402927 1\n C C1 1 0.00519342 0.44668211 0.03398575 1\n C C2 1 0.75581772 0.94660228 0.11726150 1\n C C3 1 0.56748929 0.32078850 -0.06966815 1\n C C4 1 0.31818232 0.82078322 0.34693288 1\n C C5 1 0.81797825 0.82084480 0.84687575 1\n C C6 1 0.06713681 0.32085056 0.43027074 1\n C C7 1 0.25540316 0.94668067 0.61720117 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53415000\n_cell_length_b 2.45571000\n_cell_length_c 6.45680000\n_cell_angle_alpha 89.71569000\n_cell_angle_beta 100.00357000\n_cell_angle_gamma 91.48625000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.55735457\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23509484 0.33967754 0.95138232 1\n C C1 1 0.34566020 0.33821424 0.18166436 1\n C C2 1 0.51974079 0.83890828 0.51059931 1\n C C3 1 0.68963232 0.34002117 0.84769836 1\n C C4 1 0.40243416 0.83821103 0.28881818 1\n C C5 1 0.57751568 0.33912815 0.61690627 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.05554000\n_cell_length_b 2.42844000\n_cell_length_c 5.78248000\n_cell_angle_alpha 102.12164000\n_cell_angle_beta 87.47448000\n_cell_angle_gamma 89.86487000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.90676665\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63991358 0.19293471 0.52681973 1\n C C1 1 0.97357722 0.52626800 0.19358162 1\n C C2 1 0.41657593 0.30316488 0.74836803 1\n C C3 1 0.08350789 -0.03015525 0.08178327 1\n C C4 1 0.30684554 0.85961458 0.86023497 1\n C C5 1 0.74984425 0.63651146 0.41502138 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48139000\n_cell_length_b 3.68931000\n_cell_length_c 4.21827000\n_cell_angle_alpha 104.74373000\n_cell_angle_beta 89.98782000\n_cell_angle_gamma 109.64820000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01590997\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60557488 0.26409238 0.69528046 1\n C C1 1 0.86435529 0.78084579 0.26714978 1\n C C2 1 0.40476909 -0.13395891 0.77081660 1\n C C3 1 0.08629819 0.22617798 0.47336970 1\n C C4 1 0.28610412 0.62432124 0.39817245 1\n C C5 1 0.82645572 0.70895012 0.90169882 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48061000\n_cell_length_b 7.87103000\n_cell_length_c 7.23135000\n_cell_angle_alpha 90.75989000\n_cell_angle_beta 80.14550000\n_cell_angle_gamma 99.04415000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 137.36561237\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38089229 0.67123903 0.92579497 1\n C C1 1 0.48847821 0.51872812 0.56156700 1\n C C2 1 0.84667128 0.06397416 0.40095238 1\n C C3 1 0.32717292 0.86169419 0.22970326 1\n C C4 1 0.21184679 0.07970083 0.68634224 1\n C C5 1 0.77502670 0.19486257 0.67425535 1\n C C6 1 0.47451382 0.35673211 0.42663392 1\n C C7 1 0.03060933 1.03844803 0.02671748 1\n C C8 1 0.13739633 0.36980399 0.11557522 1\n C C9 1 1.09086386 0.99543845 0.86280116 1\n C C10 1 0.61081779 0.41681566 0.21761345 1\n C C11 1 0.63616485 0.68359114 0.43436366 1\n C C12 1 0.29118244 0.69399574 0.13303296 1\n C C13 1 0.70620142 0.61511962 0.22509317 1\n C C14 1 0.90227720 0.25054950 0.46697907 1\n C C15 1 0.21661912 0.34112447 0.93037014 1\n C C16 1 0.25871073 -0.01314005 0.50069628 1\n C C17 1 0.77568534 0.34027233 0.81377938 1\n C C18 1 0.92516072 0.51459453 0.68537086 1\n C C19 1 -0.10848787 0.97200005 0.21172313 1\n C C20 1 0.91146827 0.64375445 0.83683333 1\n C C21 1 0.19456534 0.79838158 0.43557128 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45656000\n_cell_length_b 6.24579000\n_cell_length_c 7.55219000\n_cell_angle_alpha 64.04786000\n_cell_angle_beta 79.03084000\n_cell_angle_gamma 79.72605000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 101.69095395\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53497835 0.58366058 0.49475099 1\n C C1 1 0.84779597 0.52378937 0.80035207 1\n C C2 1 0.76748458 0.36430889 0.01535707 1\n C C3 1 0.25436014 1.00116739 0.98461457 1\n C C4 1 0.14233177 0.53625628 0.23561687 1\n C C5 1 0.69168602 0.42658570 0.19382928 1\n C C6 1 1.28459632 0.20294969 0.06302035 1\n C C7 1 0.10039098 0.79800152 0.18862668 1\n C C8 1 0.86309051 0.09194892 0.67273580 1\n C C9 1 0.50072254 0.81997053 0.30425880 1\n C C10 1 0.66459371 0.16089536 0.35426281 1\n C C11 1 0.12817528 0.45756777 0.46178177 1\n C C12 1 0.39147506 0.56465218 0.70056705 1\n C C13 1 0.39024592 1.17710110 0.55317966 1\n C C14 1 0.80904317 0.01677730 0.86961468 1\n C C15 1 0.26859558 0.06567073 0.29245134 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47313000\n_cell_length_b 6.12036000\n_cell_length_c 3.23625000\n_cell_angle_alpha 57.87094000\n_cell_angle_beta 67.48046000\n_cell_angle_gamma 78.30307000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.32015769\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04413248 0.18336675 0.49594457 1\n C C1 1 0.45686511 0.77392081 -0.09539068 1\n C C2 1 0.77626633 0.40215396 0.63778449 1\n C C3 1 0.13685123 0.40220803 0.91527279 1\n C C4 1 0.95727232 0.62074846 1.05721141 1\n C C5 1 0.45610789 0.03032259 0.64865012 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45237000\n_cell_length_b 4.54607000\n_cell_length_c 6.07173000\n_cell_angle_alpha 129.80100000\n_cell_angle_beta 101.68508000\n_cell_angle_gamma 105.58881000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.20220742\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06661496 0.48945166 0.33048368 1\n C C1 1 0.52833618 0.21982123 0.51942840 1\n C C2 1 0.03658692 0.29798320 0.45831447 1\n C C3 1 0.40661101 0.35859242 1.14150466 1\n C C4 1 0.49312614 1.02643290 0.64569864 1\n C C5 1 0.15232969 0.15653359 0.83443604 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43172000\n_cell_length_b 4.22640000\n_cell_length_c 4.81742000\n_cell_angle_alpha 82.22777000\n_cell_angle_beta 75.30385000\n_cell_angle_gamma 73.26336000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.75873644\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25903967 0.75006579 0.13391724 1\n C C1 1 0.41028673 0.15878657 0.42168280 1\n C C2 1 0.42709714 0.38539845 0.16184469 1\n C C3 1 0.64405284 0.22465980 0.88684480 1\n C C4 1 0.01684433 0.69637840 0.67464519 1\n C C5 1 1.03230350 0.92309085 0.41499541 1\n C C6 1 0.79727531 0.85744750 0.94971817 1\n C C7 1 0.18419508 0.33173044 0.70253190 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42943000\n_cell_length_b 2.61165000\n_cell_length_c 10.19673000\n_cell_angle_alpha 123.51245000\n_cell_angle_beta 97.20300000\n_cell_angle_gamma 89.69496000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.35603507\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09568437 0.63267381 0.26542609 1\n C C1 1 0.46557893 0.02402185 1.01033546 1\n C C2 1 0.38015152 0.58015395 0.84418343 1\n C C3 1 0.12836919 0.29752626 0.34270900 1\n C C4 1 0.21265651 0.69804987 0.51635473 1\n C C5 1 -0.24553730 0.91001881 0.59753670 1\n C C6 1 0.83923625 0.35720633 0.76342434 1\n C C7 1 1.00806832 0.23384582 1.09167885 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43114000\n_cell_length_b 5.82908000\n_cell_length_c 8.39999000\n_cell_angle_alpha 97.71484000\n_cell_angle_beta 90.01148000\n_cell_angle_gamma 78.24124000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 115.44061929\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12398251 0.57541578 0.49170565 1\n C C1 1 0.12451448 0.07620080 0.44799290 1\n C C2 1 0.37492813 0.57774145 0.57528905 1\n C C3 1 0.88364575 0.55486050 -0.01019122 1\n C C4 1 0.63151907 1.05816776 0.19610829 1\n C C5 1 0.62754338 0.06949682 0.36399170 1\n C C6 1 0.38370082 0.55455910 0.07321572 1\n C C7 1 0.13264069 0.05610844 0.94568472 1\n C C8 1 0.37744728 0.57079552 0.74152508 1\n C C9 1 0.87989817 0.56520204 0.82432582 1\n C C10 1 0.62565038 0.07387303 0.69768720 1\n C C11 1 1.13357185 0.05367975 0.11232622 1\n C C12 1 0.38252615 0.55859833 0.23999980 1\n C C13 1 0.87908569 0.56609257 0.32403128 1\n C C14 1 0.12447340 1.07671302 0.61452437 1\n C C15 1 0.63092547 0.06016261 0.86265533 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.07566000\n_cell_length_b 4.20999000\n_cell_length_c 4.85726000\n_cell_angle_alpha 89.99511000\n_cell_angle_beta 68.40037000\n_cell_angle_gamma 77.36295000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.83634505\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43696488 0.56263119 0.71309244 1\n C C1 1 0.43246982 0.89676811 0.71423789 1\n C C2 1 0.43696488 1.06263119 0.46309244 1\n C C3 1 0.43246982 0.39676811 0.96423789 1\n C C4 1 0.43696488 0.56263119 0.21309244 1\n C C5 1 0.43246982 0.89676811 0.21423789 1\n C C6 1 0.43246982 0.39676811 0.46423789 1\n C C7 1 0.43696488 0.06263119 -0.03690756 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06781000\n_cell_length_b 2.43059000\n_cell_length_c 6.94503000\n_cell_angle_alpha 79.47903000\n_cell_angle_beta 58.38129000\n_cell_angle_gamma 89.49091000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.12360794\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49978715 0.57656580 0.44862069 1\n C C1 1 0.27858830 0.02145551 0.56038950 1\n C C2 1 -0.16674433 0.90987669 0.78199482 1\n C C3 1 0.61199868 0.35477873 -0.10625646 1\n C C4 1 1.16647926 0.24322373 0.11529724 1\n C C5 1 0.94518244 0.68813003 0.22703371 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.52024000\n_cell_length_b 5.26513000\n_cell_length_c 7.84618000\n_cell_angle_alpha 83.92208000\n_cell_angle_beta 92.93024000\n_cell_angle_gamma 62.81621000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 127.81889553\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91619919 0.88060006 0.15884110 1\n C C1 1 0.25978017 0.77390401 0.31503627 1\n C C2 1 0.85114490 0.63572734 0.11960983 1\n C C3 1 0.51057059 0.14991567 0.20681894 1\n C C4 1 0.34009094 0.09083752 0.52346747 1\n C C5 1 0.73037557 0.55831710 0.28881971 1\n C C6 1 0.06364861 -0.04125178 0.00507151 1\n C C7 1 0.55904659 0.29187519 0.48775564 1\n C C8 1 0.52099160 -0.07566450 0.80976744 1\n C C9 1 -0.05729492 0.59354833 0.60677397 1\n C C10 1 0.47637080 0.48567510 0.92484606 1\n C C11 1 0.22960299 0.06059442 0.34081783 1\n C C12 1 0.50539053 0.79828869 0.64972596 1\n C C13 1 0.75203845 0.26525116 0.31884210 1\n C C14 1 0.10887500 0.58429890 0.43109577 1\n C C15 1 -0.06007012 0.30071380 0.60438126 1\n C C16 1 0.21705263 0.38145714 1.04829893 1\n C C17 1 0.50198014 0.74604643 0.97863112 1\n C C18 1 0.91378088 0.93558623 0.82103410 1\n C C19 1 1.05756034 0.15773950 0.77977368 1\n C C20 1 0.95444785 0.26893119 0.94542304 1\n C C21 1 0.22654416 0.65988643 0.73729879 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.67338000\n_cell_length_b 3.69444000\n_cell_length_c 4.79724000\n_cell_angle_alpha 105.16385000\n_cell_angle_beta 105.18582000\n_cell_angle_gamma 108.48300000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.20430349\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32952309 0.55852036 0.76932801 1\n C C1 1 1.04909462 0.78414854 0.76935037 1\n C C2 1 1.03512159 -0.08894809 0.08292837 1\n C C3 1 0.11073504 1.09199434 0.61044485 1\n C C4 1 0.64339908 0.87267760 0.39674365 1\n C C5 1 0.65691568 0.74634489 1.08320137 1\n C C6 1 0.58282545 0.56482390 0.55579051 1\n C C7 1 0.36304974 0.09825585 0.39668108 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50000000\n_cell_length_b 4.25959000\n_cell_length_c 5.44534000\n_cell_angle_alpha 108.87653000\n_cell_angle_beta 117.31391000\n_cell_angle_gamma 89.97653000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.98925760\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.07884721 0.25893064 0.48718842 1\n C C1 1 0.47562038 0.82412598 0.54048477 1\n C C2 1 0.10213112 1.02877919 0.66638248 1\n C C3 1 1.13651009 0.77993080 0.20083878 1\n C C4 1 0.43136119 0.19348053 -0.00498085 1\n C C5 1 0.39388834 0.44265521 0.46020933 1\n C C6 1 0.61101955 -0.03535734 0.17516130 1\n C C7 1 0.05564623 0.39819157 0.12034837 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42975000\n_cell_length_b 2.42983000\n_cell_length_c 8.45268000\n_cell_angle_alpha 94.42624000\n_cell_angle_beta 87.48740000\n_cell_angle_gamma 59.99367000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.88930700\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13735511 0.14356026 0.63953763 1\n C C1 1 0.38276154 0.72552444 0.97924725 1\n C C2 1 0.93659329 0.54426065 0.30579335 1\n C C3 1 0.80401968 0.80954296 0.63905319 1\n C C4 1 0.60327691 0.21100282 0.30591826 1\n C C5 1 0.04925087 0.39237327 0.97945701 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48193000\n_cell_length_b 4.57814000\n_cell_length_c 3.74123000\n_cell_angle_alpha 90.00754000\n_cell_angle_beta 90.02241000\n_cell_angle_gamma 122.81636000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.72606020\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94916294 0.11920514 0.10348600 1\n C C1 1 0.74198956 0.41417559 0.60718659 1\n C C2 1 0.15280703 0.82360352 0.60735612 1\n C C3 1 0.44905359 0.11934983 0.87403055 1\n C C4 1 0.24218569 0.41426975 0.37049456 1\n C C5 1 0.65259930 0.82358417 0.37028428 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43274000\n_cell_length_b 4.60396000\n_cell_length_c 5.87514000\n_cell_angle_alpha 67.29355000\n_cell_angle_beta 78.08046000\n_cell_angle_gamma 74.51057000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.10071115\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38498616 1.13710632 0.24579309 1\n C C1 1 0.71798967 0.80445545 0.91131833 1\n C C2 1 0.21796258 0.30446606 0.41133132 1\n C C3 1 0.13506409 0.88784674 0.99512266 1\n C C4 1 0.88507235 0.63690761 0.74589943 1\n C C5 1 0.46790527 0.55547104 0.66048808 1\n C C6 1 0.63500043 0.38794980 0.49506624 1\n C C7 1 0.96791605 0.05546598 0.16049795 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46131000\n_cell_length_b 3.39959000\n_cell_length_c 5.31472000\n_cell_angle_alpha 96.02759000\n_cell_angle_beta 90.00460000\n_cell_angle_gamma 111.13192000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.21626385\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20707289 0.34891710 0.40985235 1\n C C1 1 1.03419037 1.00178315 0.60454863 1\n C C2 1 0.66468818 0.26095690 0.00708394 1\n C C3 1 0.17780561 0.28660698 0.13375916 1\n C C4 1 0.63135213 0.19726608 0.73076509 1\n C C5 1 -0.19661077 0.54352989 0.53685352 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.01979000\n_cell_length_b 4.10165000\n_cell_length_c 5.57016000\n_cell_angle_alpha 81.57162000\n_cell_angle_beta 60.33659000\n_cell_angle_gamma 70.62933000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.54435849\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.23404624 0.68762070 0.24604174 1\n C C1 1 0.48429708 0.18780372 0.49633988 1\n C C2 1 0.31977384 0.85582109 -0.00376611 1\n C C3 1 0.57101112 0.35599939 0.24631055 1\n C C4 1 -0.17868393 0.85614720 0.49648609 1\n C C5 1 0.98292479 0.18742178 0.99606078 1\n C C6 1 0.07137235 0.35629099 0.74664783 1\n C C7 1 0.73437961 0.68790652 0.74647024 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.91968000\n_cell_length_b 3.63866000\n_cell_length_c 4.81745000\n_cell_angle_alpha 67.71952000\n_cell_angle_beta 72.70130000\n_cell_angle_gamma 68.75425000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.37356595\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94422251 0.40991818 0.31468110 1\n C C1 1 -0.05260367 0.25296078 0.62294435 1\n C C2 1 0.94864980 0.46732786 0.81496257 1\n C C3 1 0.95103555 0.84781445 0.81410365 1\n C C4 1 0.94299347 0.19561915 0.12260379 1\n C C5 1 0.94018814 0.81517938 0.12353775 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27246000\n_cell_length_b 3.63142000\n_cell_length_c 4.24107000\n_cell_angle_alpha 89.99933000\n_cell_angle_beta 130.42357000\n_cell_angle_gamma 104.51940000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22753021\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61644835 1.02940180 1.02968266 1\n C C1 1 0.04146656 0.79324240 0.60349879 1\n C C2 1 0.82865936 0.41157215 0.65819867 1\n C C3 1 0.82913724 0.41120847 0.97538699 1\n C C4 1 0.61631464 0.02965628 0.39090584 1\n C C5 1 1.04143525 0.79291500 0.24259275 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.77106000\n_cell_length_b 2.98773000\n_cell_length_c 4.78435000\n_cell_angle_alpha 106.97232000\n_cell_angle_beta 60.65650000\n_cell_angle_gamma 106.52263000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.03672716\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43626640 0.23827275 0.23197100 1\n C C1 1 0.78684246 0.61032574 0.58384084 1\n C C2 1 0.29024993 0.36436954 0.08593157 1\n C C3 1 0.93947348 -0.00694144 0.73414404 1\n C C4 1 0.27502498 0.20598087 0.57146169 1\n C C5 1 0.77642281 0.20607502 0.07034772 1\n C C6 1 0.45123646 0.39740718 0.74639492 1\n C C7 1 -0.04999032 0.39744803 0.24747642 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45419000\n_cell_length_b 4.81356000\n_cell_length_c 5.07346000\n_cell_angle_alpha 94.68563000\n_cell_angle_beta 104.02185000\n_cell_angle_gamma 120.68118000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.47152624\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71847134 0.50057434 0.41385249 1\n C C1 1 -0.17501360 0.03613796 0.55270344 1\n C C2 1 0.98803029 0.29803437 0.35800189 1\n C C3 1 0.63511900 0.11389453 0.02394897 1\n C C4 1 0.17592975 0.22273650 0.88768314 1\n C C5 1 1.24161717 0.74983412 -0.03141641 1\n C C6 1 0.09648310 0.83372193 0.49891143 1\n C C7 1 0.56620025 0.58701644 0.94409745 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42456000\n_cell_length_b 4.20752000\n_cell_length_c 4.20376000\n_cell_angle_alpha 88.51330000\n_cell_angle_beta 89.99062000\n_cell_angle_gamma 90.01703000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.86973448\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94193472 0.16389442 0.45606550 1\n C C1 1 0.44199118 0.31883752 0.48609639 1\n C C2 1 0.44187483 0.72483909 0.89514407 1\n C C3 1 0.94183804 -0.24285358 1.04992894 1\n C C4 1 0.44186912 0.66566996 0.54793698 1\n C C5 1 0.94199550 0.81684449 0.39681641 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.65588000\n_cell_length_b 4.81880000\n_cell_length_c 4.37836000\n_cell_angle_alpha 73.05701000\n_cell_angle_beta 55.69324000\n_cell_angle_gamma 91.77155000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.90577020\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44320944 0.87443244 0.96670486 1\n C C1 1 0.78904089 0.56495919 0.62119110 1\n C C2 1 0.00279536 0.37390922 0.40742795 1\n C C3 1 0.06056711 0.87370350 0.34970097 1\n C C4 1 0.40641440 0.56452942 1.00384546 1\n C C5 1 0.84733410 0.06511553 0.56273866 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42407000\n_cell_length_b 5.34057000\n_cell_length_c 7.03601000\n_cell_angle_alpha 111.59339000\n_cell_angle_beta 122.61503000\n_cell_angle_gamma 89.93076000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.04229808\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65300708 0.67206778 0.56528024 1\n C C1 1 0.87833610 0.50090694 0.70883275 1\n C C2 1 -0.12661739 0.98205852 0.70558777 1\n C C3 1 0.10750523 0.13489831 0.21664375 1\n C C4 1 0.87889636 0.58581588 0.39050547 1\n C C5 1 0.65474144 0.75730847 0.24731298 1\n C C6 1 0.65981059 0.27608006 0.25041901 1\n C C7 1 0.42769919 0.39092887 0.74080092 1\n C C8 1 0.42701303 0.12342657 0.74002389 1\n C C9 1 0.10660307 -0.13247351 0.21588371 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52334000\n_cell_length_b 5.16581000\n_cell_length_c 4.45588000\n_cell_angle_alpha 97.16469000\n_cell_angle_beta 97.51856000\n_cell_angle_gamma 123.80744000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.45093711\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03150397 0.75325429 0.90173717 1\n C C1 1 0.07753699 0.27183822 0.93434462 1\n C C2 1 0.68981466 0.98505279 0.36285131 1\n C C3 1 -0.18352519 0.47208449 0.05529805 1\n C C4 1 1.16981824 0.65197359 0.39489155 1\n C C5 1 1.09641628 0.24163609 0.59353139 1\n C C6 1 0.70732622 0.95348029 0.02224190 1\n C C7 1 0.61727678 0.57521903 0.56216342 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51306000\n_cell_length_b 4.11173000\n_cell_length_c 4.19062000\n_cell_angle_alpha 60.61641000\n_cell_angle_beta 72.31688000\n_cell_angle_gamma 90.00192000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.36413929\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65314440 0.77294414 0.93874551 1\n C C1 1 0.26931773 1.01629759 0.71440678 1\n C C2 1 0.65316336 0.40409896 0.93863510 1\n C C3 1 0.46058417 0.72915840 0.32686595 1\n C C4 1 0.46085294 0.05993864 0.32655189 1\n C C5 1 0.26905520 0.38468487 0.71467528 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48847000\n_cell_length_b 3.71439000\n_cell_length_c 8.48012000\n_cell_angle_alpha 83.65219000\n_cell_angle_beta 98.45792000\n_cell_angle_gamma 70.40327000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.95637011\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26090575 0.85306699 0.71221167 1\n C C1 1 0.08037683 0.76430707 0.26548775 1\n C C2 1 0.37942865 0.51006423 0.60960927 1\n C C3 1 0.93956518 -0.12681291 1.08763130 1\n C C4 1 -0.27416820 0.53834045 0.33118792 1\n C C5 1 -0.04031589 0.10814961 0.36801812 1\n C C6 1 0.61453667 1.07946851 0.64651354 1\n C C7 1 0.55764695 1.01450088 0.47130163 1\n C C8 1 0.40411236 0.74398445 0.89007837 1\n C C9 1 0.78163905 0.60393959 0.50631095 1\n C C10 1 1.04608321 0.54081486 0.96973650 1\n C C11 1 1.29737903 0.07657497 1.00796639 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48693000\n_cell_length_b 4.06131000\n_cell_length_c 4.69629000\n_cell_angle_alpha 105.99260000\n_cell_angle_beta 90.00855000\n_cell_angle_gamma 89.99509000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.59763529\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44983229 0.50256181 0.32344480 1\n C C1 1 0.44969877 0.53376310 0.85653951 1\n C C2 1 0.44991294 0.26965373 0.01615260 1\n C C3 1 0.94979708 1.07609434 0.55423281 1\n C C4 1 -0.05024690 0.73511196 0.97143343 1\n C C5 1 0.94980575 0.72759343 0.31829076 1\n C C6 1 -0.05006492 0.06826414 0.90120650 1\n C C7 1 0.44963280 0.30154519 0.54920761 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47350000\n_cell_length_b 4.80361000\n_cell_length_c 5.94056000\n_cell_angle_alpha 74.14975000\n_cell_angle_beta 90.00356000\n_cell_angle_gamma 104.92133000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.42313111\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24842532 0.17599598 0.31592636 1\n C C1 1 0.52929299 0.73269157 0.25893943 1\n C C2 1 0.19602676 0.06604745 -0.07439730 1\n C C3 1 0.91479883 0.50932643 -0.01737304 1\n C C4 1 1.06742128 0.81511646 0.80251586 1\n C C5 1 1.12653757 0.92788784 0.18972966 1\n C C6 1 0.79317361 0.26122355 0.85637071 1\n C C7 1 0.73434924 0.14841444 0.46907553 1\n C C8 1 0.45950400 0.59455196 0.52308728 1\n C C9 1 0.40081544 0.48174831 0.13579349 1\n C C10 1 -0.13763366 0.39934640 0.59221005 1\n C C11 1 0.58140192 0.84269801 0.64933237 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43109000\n_cell_length_b 3.92237000\n_cell_length_c 4.69830000\n_cell_angle_alpha 95.94650000\n_cell_angle_beta 105.56848000\n_cell_angle_gamma 90.41070000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.89669556\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82866072 0.73637749 0.04830404 1\n C C1 1 0.60852670 1.18316016 0.60536903 1\n C C2 1 0.16243181 0.07081567 0.71571706 1\n C C3 1 1.27491352 -0.15070351 -0.06181352 1\n C C4 1 0.49638060 0.40595647 0.38359636 1\n C C5 1 -0.05757286 0.51844692 0.27316453 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50364000\n_cell_length_b 3.29659000\n_cell_length_c 7.11360000\n_cell_angle_alpha 113.56413000\n_cell_angle_beta 89.72631000\n_cell_angle_gamma 112.17987000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.08965200\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.18762295 0.15580513 0.25518193 1\n C C1 1 0.18888439 0.88027142 0.62078139 1\n C C2 1 0.82694005 0.16365239 0.62056472 1\n C C3 1 0.55342576 0.63981504 0.09747983 1\n C C4 1 0.91476993 0.35595281 1.09744222 1\n C C5 1 0.92958457 0.36368761 0.46268200 1\n C C6 1 1.09003934 0.69537585 0.79370268 1\n C C7 1 0.65151900 0.82542644 0.92455494 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.40857000\n_cell_length_b 9.36545000\n_cell_length_c 7.37801000\n_cell_angle_alpha 135.93511000\n_cell_angle_beta 99.25546000\n_cell_angle_gamma 90.35393000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 112.42816766\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48915349 0.04528449 0.73802859 1\n C C1 1 0.11783875 0.54942820 0.00657164 1\n C C2 1 0.16915190 0.12561445 0.09556004 1\n C C3 1 0.88803451 0.60858505 0.54804396 1\n C C4 1 0.65222153 0.67720046 0.07248594 1\n C C5 1 0.72060632 0.97651693 0.21304723 1\n C C6 1 0.78718899 0.90215390 0.33809560 1\n C C7 1 1.25625425 0.10440499 0.27942471 1\n C C8 1 -0.07412136 1.00377874 0.61027471 1\n C C9 1 0.96632267 0.36351921 0.71070346 1\n C C10 1 -0.23365796 0.54563268 0.30019928 1\n C C11 1 0.61522471 0.10914643 0.98658807 1\n C C12 1 0.39888286 0.28980700 0.57515818 1\n C C13 1 0.58963141 0.75169930 0.94782412 1\n C C14 1 0.21137705 0.52923997 0.19123009 1\n C C15 1 0.45247789 0.65036741 0.67584168 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42848000\n_cell_length_b 5.47893000\n_cell_length_c 6.51390000\n_cell_angle_alpha 86.43806000\n_cell_angle_beta 90.00079000\n_cell_angle_gamma 89.98031000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.50307990\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58602355 0.27566594 0.69673692 1\n C C1 1 0.58588314 0.24007714 0.46997065 1\n C C2 1 0.08580996 0.66118707 0.62757642 1\n C C3 1 0.08521450 -0.06115081 0.10370374 1\n C C4 1 0.08591966 0.42421017 0.76272941 1\n C C5 1 0.58610797 0.46899706 0.33026166 1\n C C6 1 0.58533613 0.96420952 0.00300488 1\n C C7 1 1.08585880 0.61148868 0.39443777 1\n C C8 1 0.58550564 0.01917961 0.78574972 1\n C C9 1 0.58643352 0.45127160 0.09821112 1\n C C10 1 0.58555964 0.82809189 0.63816856 1\n C C11 1 0.08636344 0.44850968 0.99240048 1\n C C12 1 0.58517387 0.97806740 0.42765112 1\n C C13 1 1.08522569 0.88197875 0.32260626 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48056000\n_cell_length_b 3.97819000\n_cell_length_c 7.41001000\n_cell_angle_alpha 97.05721000\n_cell_angle_beta 80.30824000\n_cell_angle_gamma 90.02051000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.51785733\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10588717 0.26018876 0.49782762 1\n C C1 1 0.29597662 1.05644194 0.70692700 1\n C C2 1 0.66469500 0.79627554 0.96744888 1\n C C3 1 0.39661311 0.02598811 0.49241715 1\n C C4 1 0.55488397 -0.04574220 0.17919503 1\n C C5 1 0.15044865 0.28259228 -0.00515935 1\n C C6 1 0.97055946 0.49305050 0.34533932 1\n C C7 1 0.68612280 0.43532296 0.92644853 1\n C C8 1 0.20360532 -0.06664124 0.89094284 1\n C C9 1 0.79073003 0.27822080 0.71862166 1\n C C10 1 1.05133001 0.19008757 0.18657094 1\n C C11 1 0.47296782 0.72404319 0.34029808 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47393000\n_cell_length_b 4.80340000\n_cell_length_c 4.28067000\n_cell_angle_alpha 116.47249000\n_cell_angle_beta 89.99539000\n_cell_angle_gamma 104.92253000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61044673\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03203018 0.43027341 1.07460388 1\n C C1 1 0.71772847 0.93031473 0.49131287 1\n C C2 1 0.46781828 0.43034175 0.57461781 1\n C C3 1 0.65480027 0.80441675 0.76182326 1\n C C4 1 -0.09508062 0.30444844 0.67838659 1\n C C5 1 0.21776577 0.93027527 0.99130193 1\n C C6 1 1.15479449 0.80437252 0.26183047 1\n C C7 1 0.40508581 0.30436874 0.17834858 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43103000\n_cell_length_b 3.92086000\n_cell_length_c 4.65415000\n_cell_angle_alpha 83.38365000\n_cell_angle_beta 74.87607000\n_cell_angle_gamma 89.72510000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.52556868\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42267812 0.27703925 0.25371613 1\n C C1 1 1.20278797 0.72526970 0.69516525 1\n C C2 1 0.53612834 0.05850182 0.02873097 1\n C C3 1 0.08982643 0.94405631 -0.07998135 1\n C C4 1 -0.24332334 0.61236768 0.58563627 1\n C C5 1 0.86881968 0.39012684 0.36301753 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42912000\n_cell_length_b 3.03561000\n_cell_length_c 5.86299000\n_cell_angle_alpha 86.15877000\n_cell_angle_beta 101.55720000\n_cell_angle_gamma 89.11316000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.24270933\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45579006 0.62430015 0.31854217 1\n C C1 1 0.89956188 0.73228627 0.20651108 1\n C C2 1 0.12245631 0.29094414 0.65186947 1\n C C3 1 0.56622711 0.39886483 0.53983200 1\n C C4 1 -0.21087517 -0.04227840 -0.01477875 1\n C C5 1 0.23289563 0.06564228 0.87318378 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03722000\n_cell_length_b 2.42835000\n_cell_length_c 5.84375000\n_cell_angle_alpha 78.63420000\n_cell_angle_beta 93.47809000\n_cell_angle_gamma 88.64871000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.14929696\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03238772 0.61827008 0.40121766 1\n C C1 1 0.80768173 0.72824124 0.18017861 1\n C C2 1 0.69911451 0.28494151 0.06787023 1\n C C3 1 0.47440851 0.39491267 0.84683118 1\n C C4 1 0.14100358 0.06157606 0.51351258 1\n C C5 1 0.36579266 0.95160669 0.73453627 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43173000\n_cell_length_b 3.17133000\n_cell_length_c 6.46585000\n_cell_angle_alpha 74.90961000\n_cell_angle_beta 88.70821000\n_cell_angle_gamma 64.55842000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.24654605\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17426237 0.38949760 0.78214423 1\n C C1 1 0.06512941 0.60629857 0.55967935 1\n C C2 1 0.39961419 -0.06308941 0.22649382 1\n C C3 1 -0.26912957 1.27535376 0.89298004 1\n C C4 1 0.50969836 0.71808692 0.44886681 1\n C C5 1 0.84319584 0.05109397 0.11504856 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67095000\n_cell_length_b 4.75994000\n_cell_length_c 4.22653000\n_cell_angle_alpha 62.20689000\n_cell_angle_beta 60.35226000\n_cell_angle_gamma 47.82825000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.19909604\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07589473 0.59611510 0.04261214 1\n C C1 1 0.23501222 0.30924993 0.33181989 1\n C C2 1 0.54825882 0.31253967 0.32676256 1\n C C3 1 0.10432121 0.07178277 0.56547411 1\n C C4 1 0.26370285 0.78503486 0.85462349 1\n C C5 1 0.55132832 0.62498008 1.01763790 1\n C C6 1 0.78808539 0.75588196 0.87995974 1\n C C7 1 0.79071136 0.06866864 0.57121418 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44714000\n_cell_length_b 7.52422000\n_cell_length_c 6.16126000\n_cell_angle_alpha 85.45455000\n_cell_angle_beta 89.98268000\n_cell_angle_gamma 80.64319000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 111.57557233\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72604324 0.52110457 0.01940302 1\n C C1 1 0.13339062 0.70884627 0.73486355 1\n C C2 1 1.00628052 -0.03154969 1.01623852 1\n C C3 1 0.35278374 0.27049133 0.43251371 1\n C C4 1 0.17376346 0.62792802 0.95819982 1\n C C5 1 0.26289221 0.45151893 0.37306738 1\n C C6 1 0.99165122 0.98896552 0.42976972 1\n C C7 1 0.60838597 0.76059271 0.64491890 1\n C C8 1 0.36450924 0.24836947 0.94959358 1\n C C9 1 0.81791688 0.33897392 -0.04309766 1\n C C10 1 0.61747004 0.74593867 0.25201572 1\n C C11 1 0.90187953 0.17016315 0.44510656 1\n C C12 1 0.10003553 0.78215751 0.11331923 1\n C C13 1 0.54802185 0.87735909 0.43715362 1\n C C14 1 0.46127685 0.05687767 -0.02180598 1\n C C15 1 0.71861699 0.53859815 0.29032750 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43156000\n_cell_length_b 4.54285000\n_cell_length_c 5.93823000\n_cell_angle_alpha 67.45467000\n_cell_angle_beta 93.47582000\n_cell_angle_gamma 76.89016000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.20332006\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05041597 0.32666612 0.14199768 1\n C C1 1 1.30029009 0.82641153 0.89089238 1\n C C2 1 0.55045038 0.32674219 0.64217703 1\n C C3 1 0.80024687 0.82652250 0.39092001 1\n C C4 1 0.63360868 0.15961820 0.22457701 1\n C C5 1 0.88371515 0.65983430 -0.02414882 1\n C C6 1 0.38369688 0.65989631 0.47584968 1\n C C7 1 0.13367778 0.15958706 0.72467293 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39588000\n_cell_length_b 3.39677000\n_cell_length_c 4.11472000\n_cell_angle_alpha 78.52903000\n_cell_angle_beta 101.45168000\n_cell_angle_gamma 86.11709000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.30450187\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00033275 0.42094675 0.13784114 1\n C C1 1 0.73987915 0.20018362 0.35201205 1\n C C2 1 0.41181205 1.00953533 0.79645524 1\n C C3 1 1.02878052 0.87198099 0.58658419 1\n C C4 1 0.76788897 0.65183973 0.80007811 1\n C C5 1 0.35637344 0.06535292 0.14101747 1\n C C6 1 0.54757982 0.39215051 0.58597413 1\n C C7 1 0.21976370 0.68199845 0.35132657 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46404000\n_cell_length_b 4.48656000\n_cell_length_c 9.66909000\n_cell_angle_alpha 104.16229000\n_cell_angle_beta 88.53314000\n_cell_angle_gamma 92.83224000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.50690381\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12376106 0.35162973 0.70393663 1\n C C1 1 0.62169012 0.43860862 0.62835487 1\n C C2 1 0.62575382 0.46470809 0.92805617 1\n C C3 1 0.55364801 1.27093592 0.46841023 1\n C C4 1 0.66796581 0.80542615 0.63079781 1\n C C5 1 0.62915939 0.50734576 0.37842168 1\n C C6 1 0.13186384 0.93084723 0.85910890 1\n C C7 1 0.77711903 0.79734471 0.47995333 1\n C C8 1 0.62407024 0.53649875 0.09133582 1\n C C9 1 0.10838242 0.16547188 0.17725101 1\n C C10 1 1.12710793 0.46241338 0.28372799 1\n C C11 1 0.08366747 -0.04574064 0.26318481 1\n C C12 1 0.15429903 0.97676707 0.70684433 1\n C C13 1 0.01141961 1.05887859 0.42220397 1\n C C14 1 0.12546746 0.65206529 0.17986694 1\n C C15 1 0.61551316 0.19188514 0.09029183 1\n C C16 1 0.62945109 0.09939234 -0.07191760 1\n C C17 1 1.12940340 0.56088240 0.85828517 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47789000\n_cell_length_b 2.47797000\n_cell_length_c 6.31122000\n_cell_angle_alpha 101.29470000\n_cell_angle_beta 78.69159000\n_cell_angle_gamma 120.01395000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68498584\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29323785 0.32570976 0.13492522 1\n C C1 1 0.73620437 0.87740292 0.79951175 1\n C C2 1 0.51743555 0.10247221 0.46491217 1\n C C3 1 0.59974684 1.02085707 0.21793809 1\n C C4 1 0.82205848 0.79570727 0.54828978 1\n C C5 1 0.37478241 0.23904747 0.88385728 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46841000\n_cell_length_b 3.32700000\n_cell_length_c 10.23067000\n_cell_angle_alpha 128.94639000\n_cell_angle_beta 97.15873000\n_cell_angle_gamma 100.24796000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.15572257\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39991823 0.00852920 0.53055533 1\n C C1 1 0.79556288 0.79944879 0.42390514 1\n C C2 1 0.10713676 0.36766249 0.01034634 1\n C C3 1 0.32029381 -0.08200871 0.66336117 1\n C C4 1 0.97348178 0.77772476 0.83691955 1\n C C5 1 0.45277098 0.50787351 0.83677030 1\n C C6 1 0.67285705 0.63365707 0.00966994 1\n C C7 1 0.63017122 0.48595983 0.24978098 1\n C C8 1 0.02634647 0.27695876 0.14317292 1\n C C9 1 0.75501933 0.65227640 0.66418544 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47762000\n_cell_length_b 2.47744000\n_cell_length_c 6.30996000\n_cell_angle_alpha 101.33386000\n_cell_angle_beta 90.01173000\n_cell_angle_gamma 59.96981000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.65784139\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64236980 0.38012296 0.65503748 1\n C C1 1 0.94821796 0.76886219 0.73822514 1\n C C2 1 0.41973357 0.82493199 0.32456046 1\n C C3 1 -0.13418191 -0.06491885 0.98924213 1\n C C4 1 0.72493483 1.21439638 0.40786450 1\n C C5 1 0.50456465 0.65752583 0.07348448 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41667000\n_cell_length_b 3.61313000\n_cell_length_c 11.26878000\n_cell_angle_alpha 67.20648000\n_cell_angle_beta 81.03972000\n_cell_angle_gamma 60.66152000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 111.69846459\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17785730 1.16793936 0.98873644 1\n C C1 1 0.28760515 -0.08882397 0.63483936 1\n C C2 1 0.75510280 0.73654953 0.57983859 1\n C C3 1 1.01374144 -0.06526748 0.84858674 1\n C C4 1 0.78604989 -0.23825853 0.79391100 1\n C C5 1 0.80846933 0.33122442 0.89812541 1\n C C6 1 0.32753807 0.50865976 0.96087704 1\n C C7 1 0.31098864 0.07074678 0.74020022 1\n C C8 1 0.25748280 0.39688864 0.41776515 1\n C C9 1 0.37607698 0.70556974 0.04943872 1\n C C10 1 0.84676898 0.98808648 0.22296275 1\n C C11 1 0.07872814 0.59677261 0.68842428 1\n C C12 1 0.20851295 0.82618339 0.31410219 1\n C C13 1 0.65218775 0.45096319 0.16109126 1\n C C14 1 0.94574042 0.35299904 0.53049025 1\n C C15 1 0.03751801 0.21023660 0.36023385 1\n C C16 1 0.70580128 0.64481177 0.24944230 1\n C C17 1 0.72582916 0.16408627 0.47344254 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.73471000\n_cell_length_b 3.42626000\n_cell_length_c 4.54740000\n_cell_angle_alpha 71.33128000\n_cell_angle_beta 103.41524000\n_cell_angle_gamma 136.43151000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.16838119\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04968275 0.33493524 0.50983900 1\n C C1 1 0.55009591 0.00254021 0.87392323 1\n C C2 1 0.70177173 0.29370711 0.53973969 1\n C C3 1 0.82993384 0.92161769 0.03979381 1\n C C4 1 -0.01822096 0.93484853 0.37370384 1\n C C5 1 0.48133723 0.26660031 0.00974940 1\n C C6 1 0.32983409 0.97598211 0.34392858 1\n C C7 1 0.20159251 0.34763379 0.84375315 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46403000\n_cell_length_b 3.39393000\n_cell_length_c 5.28107000\n_cell_angle_alpha 93.01738000\n_cell_angle_beta 90.00775000\n_cell_angle_gamma 111.30690000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.07965485\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29568762 0.85975196 0.11169283 1\n C C1 1 0.74169967 0.75573922 0.71010722 1\n C C2 1 0.32977362 0.92912110 0.38708113 1\n C C3 1 -0.07601860 0.11726487 0.51209533 1\n C C4 1 0.77875667 0.82461583 0.98519097 1\n C C5 1 0.14813122 0.56954861 0.58363273 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.84358000\n_cell_length_b 4.10657000\n_cell_length_c 4.14508000\n_cell_angle_alpha 88.51908000\n_cell_angle_beta 71.45448000\n_cell_angle_gamma 71.86588000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.75267935\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76142773 0.93370193 0.57463073 1\n C C1 1 0.26764267 0.46005503 0.54962162 1\n C C2 1 0.63288314 0.22479891 0.41593881 1\n C C3 1 -0.04908792 0.22214051 0.10450992 1\n C C4 1 0.63326003 0.77510028 0.86580292 1\n C C5 1 0.95135132 0.46457607 0.86291041 1\n C C6 1 0.26725052 0.91002507 0.09926762 1\n C C7 1 0.13839380 0.74815919 0.38775076 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42686000\n_cell_length_b 5.64400000\n_cell_length_c 9.56555000\n_cell_angle_alpha 117.06107000\n_cell_angle_beta 97.24785000\n_cell_angle_gamma 102.45418000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 110.07719203\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78584660 0.83755464 0.13696668 1\n C C1 1 1.06693735 0.66346642 0.88155179 1\n C C2 1 -0.06707892 -0.04616324 0.30841641 1\n C C3 1 0.68567669 0.08358984 0.68076463 1\n C C4 1 0.32116301 0.53229562 0.50928265 1\n C C5 1 0.93407656 0.24654159 0.01032225 1\n C C6 1 0.51028349 0.02452888 0.39215936 1\n C C7 1 0.21480226 0.78160210 1.05314247 1\n C C8 1 0.31040473 0.40474321 0.61842697 1\n C C9 1 0.48935779 0.59185365 0.79780746 1\n C C10 1 0.77602688 0.51847053 0.43115673 1\n C C11 1 0.65302336 0.43982612 0.26528137 1\n C C12 1 0.35894483 0.18015694 0.92548005 1\n C C13 1 0.23182884 0.09821631 0.75910281 1\n C C14 1 1.07901550 0.37474960 0.18053818 1\n C C15 1 0.69226044 0.21118369 0.57156549 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47366000\n_cell_length_b 6.85843000\n_cell_length_c 6.31470000\n_cell_angle_alpha 75.22466000\n_cell_angle_beta 112.97842000\n_cell_angle_gamma 110.93293000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 91.28557562\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99131185 0.84947103 0.19313557 1\n C C1 1 0.54308499 0.27486879 0.81209546 1\n C C2 1 -0.04209948 0.27113413 0.23758172 1\n C C3 1 0.44141422 0.93782781 0.05414721 1\n C C4 1 1.24552942 0.12738516 0.67102454 1\n C C5 1 0.45649073 0.82542669 0.68151373 1\n C C6 1 -0.21257575 0.61101792 0.22464239 1\n C C7 1 0.26653462 0.59733230 0.71260142 1\n C C8 1 0.15122297 0.91137043 0.79227292 1\n C C9 1 0.19048961 0.50356167 0.23453854 1\n C C10 1 0.32074369 0.95235000 0.42251755 1\n C C11 1 0.97289633 0.09891459 0.43049507 1\n C C12 1 0.67203235 0.17790963 0.04046793 1\n C C13 1 0.69558882 0.49681044 0.74074025 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46100000\n_cell_length_b 3.35700000\n_cell_length_c 5.88314000\n_cell_angle_alpha 115.48699000\n_cell_angle_beta 97.89572000\n_cell_angle_gamma 89.28037000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.03389854\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08897687 0.81435468 0.41348091 1\n C C1 1 0.77507340 0.75611930 0.54898740 1\n C C2 1 0.89874365 1.02184928 0.24654279 1\n C C3 1 0.20252801 0.35501910 0.24380513 1\n C C4 1 0.46420133 0.08161113 0.55517400 1\n C C5 1 0.83887562 0.66591315 0.97372530 1\n C C6 1 0.52030566 0.28972308 0.85393673 1\n C C7 1 0.15785369 0.31695607 0.97020942 1\n C C8 1 0.58119648 0.29790798 0.39031483 1\n C C9 1 -0.15524592 -0.06115158 0.83314139 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45740000\n_cell_length_b 3.66121000\n_cell_length_c 6.47599000\n_cell_angle_alpha 80.07362000\n_cell_angle_beta 100.91918000\n_cell_angle_gamma 70.42160000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.12112877\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31095894 0.15864042 0.54969883 1\n C C1 1 0.73664564 0.68152366 0.92374565 1\n C C2 1 0.90952091 0.28452069 0.87185050 1\n C C3 1 1.15440431 1.04492241 0.12040184 1\n C C4 1 0.61965973 0.20342768 0.20765272 1\n C C5 1 0.44702757 1.12391965 0.78593079 1\n C C6 1 0.75708610 0.16333640 0.44461577 1\n C C7 1 0.32742619 0.64677799 0.07021340 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28563000\n_cell_length_b 3.28367000\n_cell_length_c 5.41103000\n_cell_angle_alpha 127.34679000\n_cell_angle_beta 84.87963000\n_cell_angle_gamma 98.44571000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.90689825\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93438598 0.16413884 0.71730529 1\n C C1 1 0.43430958 -0.01566058 0.03807418 1\n C C2 1 0.29573456 0.52610904 0.71757193 1\n C C3 1 0.06677745 0.25705198 0.21722213 1\n C C4 1 0.79568734 0.34639915 0.03782837 1\n C C5 1 0.70529580 0.89511984 0.21750316 1\n C C6 1 0.20525326 0.71530968 0.53790745 1\n C C7 1 0.56665574 1.07727495 0.53808789 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48446000\n_cell_length_b 4.67519000\n_cell_length_c 4.08768000\n_cell_angle_alpha 83.30616000\n_cell_angle_beta 90.00346000\n_cell_angle_gamma 105.43593000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.43129855\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22525930 1.01254292 0.34649492 1\n C C1 1 0.06780164 0.69749200 0.52710636 1\n C C2 1 0.56896150 0.69957400 0.75293739 1\n C C3 1 0.28489019 0.12790349 -0.00935118 1\n C C4 1 0.45606203 0.46939706 0.05965463 1\n C C5 1 0.79753557 0.15647079 0.46566362 1\n C C6 1 0.95693890 0.47152911 0.28418048 1\n C C7 1 0.74097776 0.04161943 0.82114207 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42940000\n_cell_length_b 6.04075000\n_cell_length_c 7.22922000\n_cell_angle_alpha 122.94759000\n_cell_angle_beta 106.17709000\n_cell_angle_gamma 82.46982000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.47610190\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01844160 0.21308847 0.82634670 1\n C C1 1 0.35182026 0.87981510 0.49298882 1\n C C2 1 0.37088029 0.89832606 1.01207617 1\n C C3 1 0.70426187 0.56492911 0.67877587 1\n C C4 1 1.12909456 0.43548167 1.04816979 1\n C C5 1 0.25973881 0.67618622 0.79011743 1\n C C6 1 0.03758893 0.23159108 0.34545166 1\n C C7 1 0.46241435 0.10213371 0.71483792 1\n C C8 1 0.68510928 0.54646569 0.15966159 1\n C C9 1 0.92639224 0.00953692 0.12344677 1\n C C10 1 0.79578544 0.76886482 0.38148132 1\n C C11 1 0.59310498 0.34280094 0.45682066 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45361000\n_cell_length_b 7.01743000\n_cell_length_c 7.35441000\n_cell_angle_alpha 105.91425000\n_cell_angle_beta 91.30001000\n_cell_angle_gamma 122.76718000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 100.07981808\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85857397 0.11198119 0.67371650 1\n C C1 1 0.84484101 0.80061146 0.39277212 1\n C C2 1 0.50931525 0.37282290 0.28646954 1\n C C3 1 -0.28770082 0.65728153 0.86726738 1\n C C4 1 0.52716623 0.17690192 -0.02246101 1\n C C5 1 0.56388064 0.54712724 0.65133523 1\n C C6 1 0.61032859 0.93597455 0.14485237 1\n C C7 1 0.31779738 0.73128474 0.96067551 1\n C C8 1 0.04660472 0.17747043 0.08764373 1\n C C9 1 0.45698659 0.85629806 0.52581999 1\n C C10 1 1.12491122 0.95591661 0.26828790 1\n C C11 1 0.43116739 0.14637457 0.79041453 1\n C C12 1 0.20768634 0.63147368 0.57242238 1\n C C13 1 0.45474742 0.21013580 0.41361666 1\n C C14 1 0.06891460 0.26672959 0.54394645 1\n C C15 1 0.25858886 0.52951104 0.34635863 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44007000\n_cell_length_b 6.69374000\n_cell_length_c 6.26286000\n_cell_angle_alpha 64.71017000\n_cell_angle_beta 101.28883000\n_cell_angle_gamma 68.68500000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.32282817\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80482708 0.07887403 0.30515613 1\n C C1 1 0.38300238 0.89364063 0.08902827 1\n C C2 1 0.36896667 0.28950628 0.85320039 1\n C C3 1 0.75497425 0.60184273 0.24678402 1\n C C4 1 0.42740243 0.46952936 0.32680316 1\n C C5 1 0.51312297 0.04738563 0.65602723 1\n C C6 1 0.66662936 1.02422407 0.91725071 1\n C C7 1 0.80858165 0.78228982 0.71963325 1\n C C8 1 0.37555708 -0.00794397 0.26875857 1\n C C9 1 0.45463074 0.65819008 0.76171860 1\n C C10 1 0.79684944 0.17788311 0.48420202 1\n C C11 1 0.72336096 0.41346802 0.81187645 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.10027000\n_cell_length_b 3.82043000\n_cell_length_c 4.78130000\n_cell_angle_alpha 112.83072000\n_cell_angle_beta 108.06102000\n_cell_angle_gamma 62.10360000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.55187314\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82914602 0.70293939 0.15096862 1\n C C1 1 0.38942857 0.64723387 0.65139862 1\n C C2 1 0.23540358 0.48792373 0.34365668 1\n C C3 1 0.79680982 0.43261473 0.84390614 1\n C C4 1 0.44734284 1.08415553 0.15253468 1\n C C5 1 1.17671348 0.05086684 0.84230747 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32132000\n_cell_length_b 4.33678000\n_cell_length_c 3.32280000\n_cell_angle_alpha 89.55989000\n_cell_angle_beta 83.33221000\n_cell_angle_gamma 89.56866000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.53486823\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09159583 0.20857380 0.49209032 1\n C C1 1 0.84010894 0.69140774 0.24264870 1\n C C2 1 0.19501653 0.69161099 0.88925000 1\n C C3 1 0.11270038 0.85850385 0.51586322 1\n C C4 1 0.44424880 0.20850340 1.14084601 1\n C C5 1 0.36228694 0.37564526 0.76752884 1\n C C6 1 0.71800124 0.37568726 0.41139270 1\n C C7 1 0.46646664 0.85854981 0.16228780 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20321000\n_cell_length_b 4.26781000\n_cell_length_c 3.69935000\n_cell_angle_alpha 76.24872000\n_cell_angle_beta 111.47993000\n_cell_angle_gamma 119.30443000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.70944563\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78976279 0.75001070 0.26662040 1\n C C1 1 0.37869644 0.99341402 0.82273336 1\n C C2 1 0.15058722 0.41040580 0.36645316 1\n C C3 1 0.18006536 0.07207869 0.40794937 1\n C C4 1 0.59084687 0.82865288 -0.14794447 1\n C C5 1 0.81914650 0.41176600 0.30692438 1\n C C6 1 0.51921690 0.74718785 0.45329990 1\n C C7 1 0.45084583 0.07471757 0.22200190 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37060000\n_cell_length_b 4.19657000\n_cell_length_c 3.47719000\n_cell_angle_alpha 77.17415000\n_cell_angle_beta 64.34900000\n_cell_angle_gamma 78.51906000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.93364521\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49481818 0.10909277 0.48702354 1\n C C1 1 0.65336850 0.79666340 0.64358880 1\n C C2 1 1.05336986 0.60613998 0.42896440 1\n C C3 1 0.43908120 0.60649328 0.04419557 1\n C C4 1 0.09463270 0.29955761 0.70135755 1\n C C5 1 0.71004287 0.29956516 0.08667124 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51253000\n_cell_length_b 4.11309000\n_cell_length_c 4.18952000\n_cell_angle_alpha 119.39190000\n_cell_angle_beta 107.59028000\n_cell_angle_gamma 89.99790000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.38115332\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77226917 0.74688065 0.41294496 1\n C C1 1 0.77212762 1.07732591 0.41301422 1\n C C2 1 -0.03451784 0.42191130 0.80109895 1\n C C3 1 -0.03459422 0.79048897 0.80093495 1\n C C4 1 0.57865002 1.03344572 1.02472359 1\n C C5 1 0.57874415 0.40276905 0.02494293 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43045000\n_cell_length_b 4.29397000\n_cell_length_c 4.76615000\n_cell_angle_alpha 90.00954000\n_cell_angle_beta 116.00304000\n_cell_angle_gamma 101.60172000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.57128364\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15226765 0.49507446 0.24183250 1\n C C1 1 0.48493954 0.82776861 0.90790787 1\n C C2 1 0.26440259 0.27389648 0.46444935 1\n C C3 1 0.93033768 0.93987733 0.79713137 1\n C C4 1 0.81882555 0.16163456 0.57507813 1\n C C5 1 0.59735118 0.60693156 0.13081519 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26372000\n_cell_length_b 3.27613000\n_cell_length_c 4.23681000\n_cell_angle_alpha 123.96211000\n_cell_angle_beta 95.26385000\n_cell_angle_gamma 99.08250000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.19591267\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97336541 0.34659078 0.45357984 1\n C C1 1 0.76146849 0.79691020 0.69071799 1\n C C2 1 0.39086221 0.59279533 0.07183670 1\n C C3 1 0.12179836 0.15745715 0.69040019 1\n C C4 1 0.33501894 0.70756913 0.45327485 1\n C C5 1 0.70698598 0.91053850 1.07217833 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.46984000\n_cell_length_b 3.39590000\n_cell_length_c 5.47091000\n_cell_angle_alpha 71.89832000\n_cell_angle_beta 108.51260000\n_cell_angle_gamma 90.01484000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.75642982\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54025995 0.68384480 0.24266627 1\n C C1 1 0.28577925 0.44717895 1.06942147 1\n C C2 1 0.44454898 0.30705977 0.88820326 1\n C C3 1 0.34831586 0.03744255 0.53390579 1\n C C4 1 0.68605446 0.39311323 0.53382757 1\n C C5 1 -0.05557878 0.76766881 -0.11171075 1\n C C6 1 0.20314312 0.03773886 0.24273508 1\n C C7 1 0.78990992 0.94281038 0.07774851 1\n C C8 1 1.09893718 0.13276775 0.69863473 1\n C C9 1 0.60312876 0.62867920 0.70696607 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.50492000\n_cell_length_b 3.85330000\n_cell_length_c 4.67010000\n_cell_angle_alpha 97.62148000\n_cell_angle_beta 99.97118000\n_cell_angle_gamma 101.35071000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.98988383\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06367277 0.73186156 0.91387797 1\n C C1 1 0.81980733 0.48957875 0.67216104 1\n C C2 1 0.82273801 0.49673145 0.35877204 1\n C C3 1 1.35007825 0.01847365 0.38773121 1\n C C4 1 0.53213555 0.20731375 0.19762912 1\n C C5 1 0.37304635 0.04377659 0.90875667 1\n C C6 1 1.06004156 0.72752952 0.22734586 1\n C C7 1 0.51028717 0.17848363 0.67702629 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47161000\n_cell_length_b 3.89134000\n_cell_length_c 5.96995000\n_cell_angle_alpha 89.03048000\n_cell_angle_beta 78.12311000\n_cell_angle_gamma 90.00442000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.18061102\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01437403 0.16089143 0.76360261 1\n C C1 1 0.81865323 0.15205523 0.15436586 1\n C C2 1 0.69634833 0.23335503 0.40103853 1\n C C3 1 0.35153451 0.96366925 0.08978363 1\n C C4 1 0.13814719 0.23723287 0.51485034 1\n C C5 1 0.41687717 0.63960176 -0.04181062 1\n C C6 1 0.91699308 0.43344213 -0.04219265 1\n C C7 1 0.48069186 0.97043000 0.82933450 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47964000\n_cell_length_b 3.68926000\n_cell_length_c 4.89610000\n_cell_angle_alpha 92.77549000\n_cell_angle_beta 59.54395000\n_cell_angle_gamma 70.37689000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.02378310\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63920964 0.76413382 0.83865398 1\n C C1 1 0.13273128 0.52270321 0.46617714 1\n C C2 1 0.25770097 0.12464812 0.54118999 1\n C C3 1 0.68598078 0.67961425 0.33500140 1\n C C4 1 0.51595536 0.16233150 0.76351754 1\n C C5 1 0.08657707 0.60737390 0.97006966 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38244000\n_cell_length_b 4.22744000\n_cell_length_c 3.64356000\n_cell_angle_alpha 88.24066000\n_cell_angle_beta 59.96315000\n_cell_angle_gamma 102.28638000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.48596600\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73539273 0.53215153 0.60225645 1\n C C1 1 0.42568100 0.22630245 0.87306526 1\n C C2 1 0.23810338 0.03447831 0.65807709 1\n C C3 1 -0.07702966 0.72397567 0.81724462 1\n C C4 1 0.73479347 0.53307727 0.21884009 1\n C C5 1 0.42628025 0.22537670 0.25648162 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42459000\n_cell_length_b 4.19992000\n_cell_length_c 6.31055000\n_cell_angle_alpha 50.17368000\n_cell_angle_beta 67.39843000\n_cell_angle_gamma 89.98773000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.73278401\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65722578 0.81815033 0.05147864 1\n C C1 1 0.72032069 0.81834618 0.49049790 1\n C C2 1 0.31186598 0.00505156 -0.10275567 1\n C C3 1 0.31143524 0.41180405 0.39818751 1\n C C4 1 0.25377949 1.00553591 0.45730415 1\n C C5 1 0.65935681 0.41137418 0.55050707 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51320000\n_cell_length_b 4.83109000\n_cell_length_c 3.51705000\n_cell_angle_alpha 68.70567000\n_cell_angle_beta 60.04715000\n_cell_angle_gamma 43.35882000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.50954001\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74096635 0.25743537 0.04443690 1\n C C1 1 0.34261998 0.42432647 0.81218572 1\n C C2 1 0.70490761 0.75728473 0.11664169 1\n C C3 1 0.37143248 0.09047182 0.81220303 1\n C C4 1 0.76967947 0.92412909 0.34909645 1\n C C5 1 0.40764591 0.59064992 0.34905311 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.94142000\n_cell_length_b 3.75877000\n_cell_length_c 4.37047000\n_cell_angle_alpha 82.97276000\n_cell_angle_beta 81.06326000\n_cell_angle_gamma 68.73160000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.45231529\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49481775 0.44160894 0.18285656 1\n C C1 1 0.40446878 1.00596645 0.70433290 1\n C C2 1 0.79116295 0.39106615 0.93825134 1\n C C3 1 0.73003277 0.67871079 0.70529391 1\n C C4 1 0.17096837 0.76778018 0.18420898 1\n C C5 1 0.55695427 0.15398694 0.41552598 1\n C C6 1 0.88287265 0.82722372 0.41651825 1\n C C7 1 0.11731656 0.06610323 -0.06244481 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47748000\n_cell_length_b 2.47834000\n_cell_length_c 6.31056000\n_cell_angle_alpha 90.01779000\n_cell_angle_beta 78.67250000\n_cell_angle_gamma 120.03179000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67186825\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12819370 -0.08367217 0.52281983 1\n C C1 1 0.95951616 0.82930806 0.77388550 1\n C C2 1 0.40586495 0.05227648 0.10519848 1\n C C3 1 0.01776630 0.35929963 0.18839622 1\n C C4 1 0.57025199 0.13418135 0.85761821 1\n C C5 1 0.85117499 0.27815556 0.43918987 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43147000\n_cell_length_b 4.85865000\n_cell_length_c 6.05565000\n_cell_angle_alpha 102.27789000\n_cell_angle_beta 99.23470000\n_cell_angle_gamma 120.18656000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.31557297\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05596631 0.61462094 0.54756762 1\n C C1 1 0.30283635 0.04499431 1.04839623 1\n C C2 1 0.30283237 0.54498629 0.04837601 1\n C C3 1 0.38994669 0.94777910 0.54779335 1\n C C4 1 0.38985593 0.44775241 0.54777493 1\n C C5 1 0.63669346 0.37817208 0.04858653 1\n C C6 1 0.05601344 0.11460895 0.54756077 1\n C C7 1 0.63667454 0.87816881 0.04858875 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29424000\n_cell_length_b 3.30425000\n_cell_length_c 6.40097000\n_cell_angle_alpha 75.30335000\n_cell_angle_beta 47.50151000\n_cell_angle_gamma 79.59394000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.68580084\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32189544 0.06182366 0.78811150 1\n C C1 1 0.13988716 0.62233775 0.53112465 1\n C C2 1 -0.03110052 0.20566549 0.24615250 1\n C C3 1 0.46516194 0.29554363 0.53132294 1\n C C4 1 0.64711558 0.73475453 0.78808909 1\n C C5 1 0.81992109 0.15641980 0.07281311 1\n C C6 1 0.33255277 0.84197659 0.24610387 1\n C C7 1 0.45598923 0.52028596 1.07285143 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46286000\n_cell_length_b 4.24838000\n_cell_length_c 4.24791000\n_cell_angle_alpha 79.56804000\n_cell_angle_beta 90.00332000\n_cell_angle_gamma 89.99695000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.71190943\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23849244 0.45994860 1.01702240 1\n C C1 1 0.61203703 0.29834274 0.54495399 1\n C C2 1 0.48948200 0.94592781 0.66704998 1\n C C3 1 0.37039738 0.82363592 1.01922498 1\n C C4 1 0.87039778 0.93234878 0.17868160 1\n C C5 1 0.73852203 0.29637748 0.18098074 1\n C C6 1 0.98943176 0.80987787 0.53026604 1\n C C7 1 1.11211998 0.45775291 0.65271676 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44844000\n_cell_length_b 4.76079000\n_cell_length_c 5.01442000\n_cell_angle_alpha 92.27963000\n_cell_angle_beta 87.90845000\n_cell_angle_gamma 97.81121000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.83391025\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57377825 0.32219653 0.12296032 1\n C C1 1 0.58092389 0.57563956 -0.03138925 1\n C C2 1 0.11789046 0.36095184 0.58376343 1\n C C3 1 0.52760823 0.08036210 0.92065303 1\n C C4 1 0.49315448 0.84166042 0.10654977 1\n C C5 1 0.06164196 0.25479994 0.29222008 1\n C C6 1 0.03048780 0.08416459 0.74535246 1\n C C7 1 0.67537639 0.54571444 0.66869708 1\n C C8 1 0.88962927 0.83391402 0.55908509 1\n C C9 1 0.98157818 0.91961176 0.28369909 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46687000\n_cell_length_b 3.38675000\n_cell_length_c 5.25512000\n_cell_angle_alpha 91.21154000\n_cell_angle_beta 89.98054000\n_cell_angle_gamma 68.72439000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.90184716\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30003381 0.28056467 0.46322451 1\n C C1 1 -0.10833081 0.09776463 0.33844667 1\n C C2 1 0.45460644 0.98043851 0.93811643 1\n C C3 1 0.93388236 0.02264846 0.06312322 1\n C C4 1 0.07649605 0.72936783 0.53738308 1\n C C5 1 0.48621795 0.91090890 0.66252039 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.00748000\n_cell_length_b 4.20964000\n_cell_length_c 4.15509000\n_cell_angle_alpha 75.56100000\n_cell_angle_beta 110.08746000\n_cell_angle_gamma 68.71122000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.61657744\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64811130 0.23701246 0.20004444 1\n C C1 1 0.98226593 0.57022547 0.53294195 1\n C C2 1 0.64686748 0.57077741 0.20000217 1\n C C3 1 0.31539851 -0.09654625 0.86677804 1\n C C4 1 0.31434736 0.23726011 -0.13331319 1\n C C5 1 -0.01906448 0.90406729 0.53288279 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.62099000\n_cell_length_b 4.68421000\n_cell_length_c 4.68352000\n_cell_angle_alpha 133.97347000\n_cell_angle_beta 106.36306000\n_cell_angle_gamma 73.60984000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.39174652\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97205824 0.94121508 0.59148187 1\n C C1 1 0.97193008 0.56638292 0.21663734 1\n C C2 1 0.85664092 0.36955462 0.78830518 1\n C C3 1 1.13278440 0.27931102 0.25352822 1\n C C4 1 0.24731345 0.47602482 0.68177038 1\n C C5 1 0.13268301 0.90441115 0.87864031 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45924000\n_cell_length_b 3.39845000\n_cell_length_c 6.90997000\n_cell_angle_alpha 58.02045000\n_cell_angle_beta 57.73638000\n_cell_angle_gamma 68.77304000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.16869184\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01399032 0.34846173 0.02129367 1\n C C1 1 0.04354963 1.02877215 0.42391429 1\n C C2 1 1.00942652 0.88493453 0.82716493 1\n C C3 1 0.68090641 0.13457269 0.29707368 1\n C C4 1 0.73551128 0.81458379 0.69979820 1\n C C5 1 0.71236518 0.27785400 0.89388802 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42840000\n_cell_length_b 5.32097000\n_cell_length_c 5.51510000\n_cell_angle_alpha 105.25238000\n_cell_angle_beta 90.78331000\n_cell_angle_gamma 90.07385000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 68.74560522\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38464126 0.84055631 0.45059120 1\n C C1 1 0.38437117 0.36174575 0.45855079 1\n C C2 1 0.39940195 0.10797170 0.94259929 1\n C C3 1 0.38874280 0.64271076 0.59695370 1\n C C4 1 0.89878926 0.49472102 0.91630655 1\n C C5 1 0.89416445 0.69293315 0.77008556 1\n C C6 1 0.40023437 0.37906599 -0.04807038 1\n C C7 1 -0.11668550 -0.04339277 0.41572349 1\n C C8 1 0.89856662 0.97387792 0.90945268 1\n C C9 1 -0.11639478 0.22785908 0.42571772 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47628000\n_cell_length_b 4.86262000\n_cell_length_c 4.79454000\n_cell_angle_alpha 112.06425000\n_cell_angle_beta 89.99979000\n_cell_angle_gamma 120.61553000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.70156662\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59430159 0.78577225 0.38568444 1\n C C1 1 0.21899206 0.91147836 0.89691153 1\n C C2 1 -0.07271890 0.11920550 0.05211721 1\n C C3 1 0.29646693 0.48878813 0.05235520 1\n C C4 1 0.04094316 0.73269778 0.54018607 1\n C C5 1 -0.03688682 0.15514987 0.38590014 1\n C C6 1 0.84962313 0.54147888 0.89717132 1\n C C7 1 0.67099156 0.36266774 0.54039899 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43175000\n_cell_length_b 3.07380000\n_cell_length_c 6.41967000\n_cell_angle_alpha 110.30755000\n_cell_angle_beta 101.11876000\n_cell_angle_gamma 77.23513000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.53496789\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04082808 0.54012643 0.36322861 1\n C C1 1 0.15141124 0.54140924 0.58524558 1\n C C2 1 0.70750319 -0.45852994 0.69709903 1\n C C3 1 0.81783020 0.54270318 0.91905180 1\n C C4 1 0.48463469 0.54182782 0.25214305 1\n C C5 1 0.37393241 0.54153079 0.03021543 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42226000\n_cell_length_b 4.65987000\n_cell_length_c 3.76035000\n_cell_angle_alpha 98.47061000\n_cell_angle_beta 101.45580000\n_cell_angle_gamma 88.19926000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.13145767\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78248751 0.06204331 0.13698620 1\n C C1 1 1.00786614 0.82724046 0.63106170 1\n C C2 1 0.63141130 0.20881555 0.44870039 1\n C C3 1 0.23593808 0.59645445 1.13486899 1\n C C4 1 0.38333595 0.44549773 0.44940563 1\n C C5 1 0.78133101 0.05936985 0.76299386 1\n C C6 1 0.23451230 0.59384169 0.76083659 1\n C C7 1 0.00737283 -0.17305174 0.26613435 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35045000\n_cell_length_b 3.77635000\n_cell_length_c 6.69347000\n_cell_angle_alpha 69.06851000\n_cell_angle_beta 75.32858000\n_cell_angle_gamma 72.98617000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 74.58196244\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78313349 0.59700847 0.77070688 1\n C C1 1 -0.09006565 0.98826981 0.67378365 1\n C C2 1 0.49583714 0.65211654 0.45959422 1\n C C3 1 1.17391648 0.30848132 0.84731448 1\n C C4 1 1.07164365 0.26609169 0.26949490 1\n C C5 1 0.46756879 0.64979238 0.96001021 1\n C C6 1 0.58535919 0.37901151 0.67160581 1\n C C7 1 0.66507672 0.86780442 0.05958189 1\n C C8 1 0.17873079 -0.01923932 0.46112010 1\n C C9 1 0.75476085 0.59464895 0.27123985 1\n C C10 1 1.07679765 0.93839633 0.88349872 1\n C C11 1 0.34061349 0.25842088 0.05732789 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43534000\n_cell_length_b 3.05355000\n_cell_length_c 6.39912000\n_cell_angle_alpha 88.57371000\n_cell_angle_beta 100.67445000\n_cell_angle_gamma 110.54556000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.74708579\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07492240 0.39794954 0.62014100 1\n C C1 1 0.85409446 0.40169448 0.17559995 1\n C C2 1 0.41443731 0.40956791 0.28752462 1\n C C3 1 0.52374588 0.40889668 0.50948545 1\n C C4 1 0.73465918 0.38377046 -0.04668756 1\n C C5 1 0.17825697 0.38441472 0.84177673 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45226000\n_cell_length_b 8.21117000\n_cell_length_c 6.49072000\n_cell_angle_alpha 39.28873000\n_cell_angle_beta 83.21314000\n_cell_angle_gamma 87.43065000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.95458230\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79545236 0.09361959 0.55660360 1\n C C1 1 0.61178234 0.55138289 0.64641214 1\n C C2 1 0.72222468 0.09976947 0.15268005 1\n C C3 1 0.70150780 0.30392073 0.76961443 1\n C C4 1 0.30545043 0.67885500 0.89149022 1\n C C5 1 0.80495899 -0.19324654 0.79272399 1\n C C6 1 1.14573341 0.69958011 0.48035257 1\n C C7 1 0.19790728 0.94849549 0.28237230 1\n C C8 1 0.27068610 0.15693215 0.60898927 1\n C C9 1 0.23239772 0.26629202 0.68600209 1\n C C10 1 0.81221933 0.26961289 0.18034588 1\n C C11 1 0.35813457 0.44007369 1.00125895 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43330000\n_cell_length_b 3.13150000\n_cell_length_c 17.31641000\n_cell_angle_alpha 75.21486000\n_cell_angle_beta 89.87811000\n_cell_angle_gamma 66.51585000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 116.27278986\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20321285 0.13807278 0.08817990 1\n C C1 1 1.09528910 0.34831307 0.00504758 1\n C C2 1 0.94214471 -0.34859215 0.83727747 1\n C C3 1 0.54757039 0.44227876 -0.03682690 1\n C C4 1 1.11926616 0.30647104 0.37662285 1\n C C5 1 0.33811439 0.86207562 0.62824500 1\n C C6 1 0.44588439 0.65416921 0.25261399 1\n C C7 1 0.81552142 0.90865829 0.58631820 1\n C C8 1 -0.10640805 0.74581371 0.75344468 1\n C C9 1 0.37710907 0.78080844 0.71181068 1\n C C10 1 1.21544295 1.11359300 0.46034390 1\n C C11 1 0.46973097 0.59520703 0.87922217 1\n C C12 1 0.88270949 0.78014106 0.21170219 1\n C C13 1 0.56311609 0.41857607 0.33519057 1\n C C14 1 -0.24554104 1.03461603 0.50237593 1\n C C15 1 0.76253951 0.02050274 0.12940251 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48093000\n_cell_length_b 3.68848000\n_cell_length_c 4.21983000\n_cell_angle_alpha 104.99561000\n_cell_angle_beta 89.96358000\n_cell_angle_gamma 109.67584000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96308168\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65540319 0.89873523 0.90403222 1\n C C1 1 0.33648169 0.25541393 0.60643770 1\n C C2 1 0.11320142 0.80960778 0.39963267 1\n C C3 1 1.07723251 0.74205432 0.03477046 1\n C C4 1 0.53454865 0.65246763 0.53012616 1\n C C5 1 0.85674735 0.29619761 0.82829079 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46061000\n_cell_length_b 7.70678000\n_cell_length_c 6.83120000\n_cell_angle_alpha 83.79988000\n_cell_angle_beta 87.80134000\n_cell_angle_gamma 83.62784000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 127.94365221\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27311078 0.66087423 0.77130727 1\n C C1 1 0.62263845 0.75741827 0.46260540 1\n C C2 1 0.25982171 0.58636289 0.09826804 1\n C C3 1 0.43253573 0.93495448 0.56745095 1\n C C4 1 0.85577177 0.25994469 0.75418451 1\n C C5 1 0.18691562 0.64921000 0.54724530 1\n C C6 1 0.87061296 0.93702830 0.71128496 1\n C C7 1 0.93877668 0.07625553 0.06168504 1\n C C8 1 0.61533302 0.81730279 0.24337910 1\n C C9 1 0.85413726 0.20075811 0.41218911 1\n C C10 1 0.83071978 0.33660945 0.24550308 1\n C C11 1 0.85219013 0.38295759 0.89923622 1\n C C12 1 0.88238772 0.26133435 0.07045724 1\n C C13 1 0.88521705 0.08362606 0.83471054 1\n C C14 1 0.26015946 0.45930312 0.49344935 1\n C C15 1 0.79849233 0.33969923 0.55693648 1\n C C16 1 0.46540923 0.00401142 0.19028047 1\n C C17 1 0.76215584 0.75955798 0.83923409 1\n C C18 1 0.29034814 0.44783378 0.26958977 1\n C C19 1 0.39119368 0.08701830 0.40166909 1\n C C20 1 0.72264099 0.70355435 0.07855299 1\n C C21 1 0.31436168 0.49641358 0.90553579 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43015000\n_cell_length_b 2.42979000\n_cell_length_c 8.45583000\n_cell_angle_alpha 90.51133000\n_cell_angle_beta 96.99924000\n_cell_angle_gamma 120.00349000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.77457520\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36437088 0.54619732 0.69270214 1\n C C1 1 0.22623139 1.01995960 0.02675045 1\n C C2 1 0.45753599 0.04611881 0.36101508 1\n C C3 1 0.79108119 0.71261031 0.36110497 1\n C C4 1 0.69770537 0.21307178 0.69272047 1\n C C5 1 0.89219979 0.35302418 0.02615948 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03187000\n_cell_length_b 2.43011000\n_cell_length_c 6.00569000\n_cell_angle_alpha 78.87088000\n_cell_angle_beta 83.60770000\n_cell_angle_gamma 91.08562000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.10943917\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96980805 0.81257631 -0.05900527 1\n C C1 1 -0.14038399 0.25765049 0.05238720 1\n C C2 1 0.63601255 0.14596693 0.27416704 1\n C C3 1 0.30341363 0.47917084 0.60777370 1\n C C4 1 0.52630415 0.59094471 0.38578539 1\n C C5 1 0.19376841 -0.07585048 0.71932853 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48155000\n_cell_length_b 3.68923000\n_cell_length_c 4.21554000\n_cell_angle_alpha 104.73991000\n_cell_angle_beta 90.02027000\n_cell_angle_gamma 109.65641000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99144762\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34814674 0.88754885 0.38598985 1\n C C1 1 0.92613894 0.04398437 0.25488556 1\n C C2 1 0.60535745 0.40401705 0.95739326 1\n C C3 1 0.38112426 -0.04130064 0.75114078 1\n C C4 1 1.12450712 0.44220987 0.17982583 1\n C C5 1 0.80254429 0.80158339 0.88199453 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47971000\n_cell_length_b 2.56420000\n_cell_length_c 5.72633000\n_cell_angle_alpha 91.67704000\n_cell_angle_beta 102.47537000\n_cell_angle_gamma 90.01012000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53500093\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45172929 0.76497523 0.89331197 1\n C C1 1 0.37030067 0.25177637 0.73257662 1\n C C2 1 0.68328448 0.28883298 0.35357127 1\n C C3 1 0.79740577 0.25275991 0.58781225 1\n C C4 1 1.02999279 0.77589356 0.04850698 1\n C C5 1 0.11122991 0.28941425 0.20944942 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44831000\n_cell_length_b 4.54514000\n_cell_length_c 9.15685000\n_cell_angle_alpha 111.44355000\n_cell_angle_beta 97.67359000\n_cell_angle_gamma 105.67567000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.19415581\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63962719 0.59383550 0.66545750 1\n C C1 1 0.87405643 0.72791066 1.00336239 1\n C C2 1 0.63422678 0.90446194 0.34090206 1\n C C3 1 0.20235080 0.63261629 0.75193984 1\n C C4 1 0.96840969 0.49905354 0.41453988 1\n C C5 1 0.21073074 0.32349306 0.07802422 1\n C C6 1 0.09389615 0.78990790 0.36976325 1\n C C7 1 0.31442362 -0.29738825 0.90991891 1\n C C8 1 0.13121600 0.08640216 0.15642752 1\n C C9 1 0.75208326 0.43833986 1.04926748 1\n C C10 1 0.71142083 0.14058640 0.26185010 1\n C C11 1 0.52718380 0.52293774 0.50752677 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48485000\n_cell_length_b 3.82261000\n_cell_length_c 5.78074000\n_cell_angle_alpha 106.03665000\n_cell_angle_beta 64.58793000\n_cell_angle_gamma 108.93840000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.30465911\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76198407 0.09595848 0.35084732 1\n C C1 1 0.57185305 0.94841530 0.96544859 1\n C C2 1 0.71710381 0.35164893 1.02264057 1\n C C3 1 1.03486706 0.42710111 0.74330721 1\n C C4 1 0.25631607 0.87342909 0.24519419 1\n C C5 1 0.19116041 0.85519638 0.80035882 1\n C C6 1 0.09956409 0.44526827 0.18752906 1\n C C7 1 0.53011634 0.20493166 0.63734353 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48759000\n_cell_length_b 4.69581000\n_cell_length_c 4.75951000\n_cell_angle_alpha 103.59014000\n_cell_angle_beta 121.50134000\n_cell_angle_gamma 89.99368000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.56881998\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.13875771 0.44349426 0.93642842 1\n C C1 1 0.90690065 1.13614878 0.70404461 1\n C C2 1 0.20616575 0.02154503 0.50302757 1\n C C3 1 0.17115178 0.97714594 -0.03045294 1\n C C4 1 0.86462250 0.43879087 0.16202646 1\n C C5 1 0.87250299 0.09205392 0.17050953 1\n C C6 1 -0.06102317 0.66934083 0.73600518 1\n C C7 1 0.21361869 0.67470918 0.51060147 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.15760000\n_cell_length_b 3.74768000\n_cell_length_c 4.93138000\n_cell_angle_alpha 90.92577000\n_cell_angle_beta 93.09795000\n_cell_angle_gamma 88.53318000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.24558874\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41427302 0.34320197 0.31078564 1\n C C1 1 0.18249910 0.83824276 0.07943918 1\n C C2 1 -0.18119588 0.65491097 0.69372815 1\n C C3 1 0.41514218 -0.03010688 0.31070457 1\n C C4 1 0.95943663 0.96949725 0.84592587 1\n C C5 1 0.95876763 0.34266434 0.84633673 1\n C C6 1 0.56002360 0.65569952 0.46078566 1\n C C7 1 0.18294772 0.47443458 0.07940480 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44909000\n_cell_length_b 4.15256000\n_cell_length_c 6.05082000\n_cell_angle_alpha 104.94304000\n_cell_angle_beta 70.77109000\n_cell_angle_gamma 73.08944000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.04138524\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05346409 1.09261852 0.94952636 1\n C C1 1 0.56067873 0.98333219 0.55017967 1\n C C2 1 0.27479760 0.52447228 0.29692682 1\n C C3 1 0.67162674 0.22873826 0.19108477 1\n C C4 1 0.18893771 0.73896751 0.16766377 1\n C C5 1 0.89369148 0.66238241 0.53957341 1\n C C6 1 0.12663805 0.21753645 0.75069930 1\n C C7 1 0.75802602 0.01546254 0.32121240 1\n C C8 1 0.38637300 0.77178623 -0.06101984 1\n C C9 1 0.82011409 0.53748960 0.73850373 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42909000\n_cell_length_b 4.16311000\n_cell_length_c 8.33835000\n_cell_angle_alpha 65.02832000\n_cell_angle_beta 73.07844000\n_cell_angle_gamma 90.00646000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.39080656\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42795583 0.43320844 0.23422437 1\n C C1 1 1.01058929 0.41371530 0.15268345 1\n C C2 1 0.15073458 0.30177301 1.00908009 1\n C C3 1 0.63229331 0.13980999 0.52747493 1\n C C4 1 0.43741302 0.07565626 0.72722372 1\n C C5 1 0.66944684 0.82182919 0.49057706 1\n C C6 1 0.19473305 0.68631145 0.46752250 1\n C C7 1 0.22557838 0.36508051 0.43395258 1\n C C8 1 0.71133709 0.22025111 0.94872993 1\n C C9 1 0.85645951 1.10281275 0.80707839 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35150000\n_cell_length_b 3.40529000\n_cell_length_c 4.58024000\n_cell_angle_alpha 89.27384000\n_cell_angle_beta 68.56680000\n_cell_angle_gamma 87.92257000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.62649404\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24609283 0.26772547 0.64136937 1\n C C1 1 0.54784341 0.44845115 1.03646384 1\n C C2 1 0.90755482 0.74727529 0.35586441 1\n C C3 1 0.88471563 0.75653913 0.03612073 1\n C C4 1 0.80658708 0.10172348 0.85530402 1\n C C5 1 0.20601069 0.46020412 0.35636723 1\n C C6 1 0.31853487 0.60139038 0.83120692 1\n C C7 1 0.58082138 0.93483148 0.64142428 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48342000\n_cell_length_b 5.69889000\n_cell_length_c 6.63526000\n_cell_angle_alpha 120.31732000\n_cell_angle_beta 89.98858000\n_cell_angle_gamma 77.44041000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 78.44801146\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04025842 0.28695996 0.41400748 1\n C C1 1 -0.23572546 0.84204344 0.28526676 1\n C C2 1 0.91248306 0.54017468 1.10710141 1\n C C3 1 0.74836236 -0.13005002 0.51195161 1\n C C4 1 0.48360879 0.39678557 0.12849529 1\n C C5 1 1.29483388 0.77696950 -0.04149270 1\n C C6 1 0.47000174 0.42512715 0.38399427 1\n C C7 1 0.60024553 0.17153315 0.69057466 1\n C C8 1 0.02884216 0.31459414 0.66911629 1\n C C9 1 0.62463140 0.11784537 0.89676109 1\n C C10 1 0.21590244 0.93400912 0.83765750 1\n C C11 1 0.20441344 0.96162467 0.23828809 1\n C C12 1 0.30731581 0.74991074 0.55822696 1\n C C13 1 0.88639484 0.59319072 0.90000578 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32018000\n_cell_length_b 3.78610000\n_cell_length_c 3.91951000\n_cell_angle_alpha 91.97894000\n_cell_angle_beta 105.79251000\n_cell_angle_gamma 95.92381000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.05634352\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66725352 0.33101641 0.98255504 1\n C C1 1 0.04009778 -0.01180548 0.64962082 1\n C C2 1 0.46753232 0.63432020 0.13831323 1\n C C3 1 0.09321162 0.45299117 0.24735984 1\n C C4 1 0.37079296 0.99714006 0.03217380 1\n C C5 1 0.71948289 0.27685856 0.63118958 1\n C C6 1 0.28959485 0.14339669 0.39185435 1\n C C7 1 0.85247206 0.62399869 0.47164994 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47284000\n_cell_length_b 3.23348000\n_cell_length_c 6.12384000\n_cell_angle_alpha 122.16434000\n_cell_angle_beta 78.30184000\n_cell_angle_gamma 112.54749000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.28203721\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62164255 1.19436312 0.42155735 1\n C C1 1 0.94116414 0.46075342 0.04979506 1\n C C2 1 0.30145161 0.18299413 0.04991781 1\n C C3 1 0.12183250 0.04166425 0.26869409 1\n C C4 1 0.12039513 0.60191676 0.83094031 1\n C C5 1 0.62105538 0.45018332 0.67814098 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44312000\n_cell_length_b 5.63438000\n_cell_length_c 8.35408000\n_cell_angle_alpha 100.86213000\n_cell_angle_beta 89.94717000\n_cell_angle_gamma 97.61919000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 111.90613416\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66386647 0.86101676 0.45540910 1\n C C1 1 0.53230322 0.41073594 0.85985802 1\n C C2 1 0.05395106 0.49989787 0.11726662 1\n C C3 1 0.54606879 0.47650396 0.21330747 1\n C C4 1 0.52409675 0.37492827 0.68761373 1\n C C5 1 0.19487468 -0.07052243 0.04920102 1\n C C6 1 0.51159786 0.35264443 0.34957871 1\n C C7 1 0.14557568 0.80081772 0.18449900 1\n C C8 1 1.03705615 0.42316213 -0.05704995 1\n C C9 1 0.01089561 0.34336923 0.43216883 1\n C C10 1 0.18692679 -0.09040440 0.71124214 1\n C C11 1 0.17076857 0.87311603 0.53890443 1\n C C12 1 0.69774961 -0.05867961 0.96709459 1\n C C13 1 0.69383663 -0.07389907 0.79565193 1\n C C14 1 1.01784393 0.35819655 0.60317171 1\n C C15 1 0.63817331 0.78151882 0.28169604 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45599000\n_cell_length_b 6.60171000\n_cell_length_c 6.27123000\n_cell_angle_alpha 79.06684000\n_cell_angle_beta 105.16895000\n_cell_angle_gamma 83.50861000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 94.92560795\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.56510456 0.22900880 0.71681963 1\n C C1 1 0.47898702 0.71258163 0.97956985 1\n C C2 1 -0.06743800 0.62780320 0.44787999 1\n C C3 1 0.79040617 0.04292054 -0.07520628 1\n C C4 1 -0.02868331 0.23627947 0.57740066 1\n C C5 1 0.67864070 0.27169319 0.94604819 1\n C C6 1 0.28533493 0.42244303 0.23874717 1\n C C7 1 0.36003694 0.92208182 -0.04587772 1\n C C8 1 0.40779130 0.94218278 0.47487311 1\n C C9 1 0.87581849 0.42401814 0.37714075 1\n C C10 1 0.42152300 0.72838641 0.45811770 1\n C C11 1 1.05341276 0.59257807 0.01664211 1\n C C12 1 0.18902437 0.35763644 0.02087668 1\n C C13 1 0.90206587 0.04039888 0.49120717 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52403000\n_cell_length_b 4.34953000\n_cell_length_c 7.41395000\n_cell_angle_alpha 64.25597000\n_cell_angle_beta 88.01183000\n_cell_angle_gamma 82.19039000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.60714331\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81891940 0.63127325 0.81167651 1\n C C1 1 1.01245945 0.29054596 -0.03766652 1\n C C2 1 0.75753203 -0.16062152 0.93132173 1\n C C3 1 0.29856869 0.60987153 0.28258285 1\n C C4 1 0.21089435 0.93848587 0.30943900 1\n C C5 1 0.99367467 0.24345521 0.15331429 1\n C C6 1 0.28912505 0.33492754 0.65833005 1\n C C7 1 0.31593155 0.66235021 0.67855832 1\n C C8 1 -0.17198545 0.58248389 0.16314082 1\n C C9 1 0.30704315 0.29453661 0.48357441 1\n C C10 1 0.28287378 0.97171413 0.48865555 1\n C C11 1 1.21733554 0.06524732 0.87082779 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47324000\n_cell_length_b 4.64595000\n_cell_length_c 5.18345000\n_cell_angle_alpha 87.50699000\n_cell_angle_beta 110.13545000\n_cell_angle_gamma 86.13701000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.65180429\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71263648 0.76198463 0.77802246 1\n C C1 1 0.25091000 0.58137969 0.82056604 1\n C C2 1 0.09441781 0.47516566 0.27358839 1\n C C3 1 0.99924625 0.80834219 0.31798734 1\n C C4 1 0.45804821 0.24632556 0.52165338 1\n C C5 1 0.55077618 0.91290256 0.47698124 1\n C C6 1 0.30045191 0.14107835 0.97521037 1\n C C7 1 0.46409837 0.42422587 0.10686788 1\n C C8 1 0.83866085 0.96072182 1.01774071 1\n C C9 1 0.08760905 0.29837767 0.68860750 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46577000\n_cell_length_b 3.38662000\n_cell_length_c 6.30853000\n_cell_angle_alpha 123.55711000\n_cell_angle_beta 78.61250000\n_cell_angle_gamma 111.45551000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.85727685\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89135146 0.43167218 0.16375076 1\n C C1 1 0.66923982 -0.09119587 0.08911867 1\n C C2 1 0.51998084 1.08622246 0.56385721 1\n C C3 1 0.07860588 0.60259016 -0.03620333 1\n C C4 1 0.48198540 0.73788616 0.28907276 1\n C C5 1 0.04061044 0.25425386 0.68901222 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48172000\n_cell_length_b 3.84679000\n_cell_length_c 3.74152000\n_cell_angle_alpha 90.07013000\n_cell_angle_beta 89.99462000\n_cell_angle_gamma 89.96288000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.71896874\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39216044 0.12382849 -0.05096041 1\n C C1 1 0.89220870 0.12420262 0.71959464 1\n C C2 1 0.89232377 0.82906488 0.45272714 1\n C C3 1 0.39233753 0.82858936 0.21511709 1\n C C4 1 0.89220259 0.41945989 0.45348750 1\n C C5 1 0.39221807 0.41897806 0.21586274 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43895000\n_cell_length_b 4.68937000\n_cell_length_c 4.68893000\n_cell_angle_alpha 112.76583000\n_cell_angle_beta 105.10286000\n_cell_angle_gamma 74.90984000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.96934991\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02877962 0.47730468 0.82623371 1\n C C1 1 0.37028379 0.99800164 1.03225718 1\n C C2 1 0.68634352 0.68488181 0.34765134 1\n C C3 1 0.42672266 0.21095781 0.35643863 1\n C C4 1 0.52912125 0.65441896 1.00379668 1\n C C5 1 0.62807320 1.00898506 0.55917602 1\n C C6 1 0.18084246 0.11695070 0.77190488 1\n C C7 1 -0.12501271 0.42453145 0.46637245 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48154000\n_cell_length_b 3.68784000\n_cell_length_c 4.21930000\n_cell_angle_alpha 105.00257000\n_cell_angle_beta 89.98977000\n_cell_angle_gamma 109.64459000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96560165\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36995152 0.64511247 0.65266078 1\n C C1 1 0.59434009 0.09105123 0.85934082 1\n C C2 1 0.91509787 0.73500848 0.15742316 1\n C C3 1 0.11523752 0.13218734 0.08149423 1\n C C4 1 0.79134815 0.48802219 0.78306310 1\n C C5 1 0.33684315 0.57806649 0.28792281 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45253000\n_cell_length_b 4.04858000\n_cell_length_c 6.03058000\n_cell_angle_alpha 48.77674000\n_cell_angle_beta 78.17471000\n_cell_angle_gamma 90.06521000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.32134566\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00569195 0.36124075 0.85850277 1\n C C1 1 0.57153419 1.01913060 0.70227095 1\n C C2 1 0.30186376 0.29471896 0.23990614 1\n C C3 1 0.46477008 0.49143324 0.91724393 1\n C C4 1 1.04312123 0.14983416 0.76019221 1\n C C5 1 0.73116330 0.21469308 0.37982101 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.91897000\n_cell_length_b 4.12821000\n_cell_length_c 5.06974000\n_cell_angle_alpha 99.36330000\n_cell_angle_beta 111.85059000\n_cell_angle_gamma 120.78251000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.67506711\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45416366 0.52714890 0.57472619 1\n C C1 1 0.47574208 0.74115931 0.38465016 1\n C C2 1 0.51664126 0.08429402 0.07468419 1\n C C3 1 0.91547920 0.68062296 0.88472822 1\n C C4 1 0.89334661 0.46598027 0.07411228 1\n C C5 1 0.85303600 0.12302324 0.38422386 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47796000\n_cell_length_b 2.47764000\n_cell_length_c 6.31078000\n_cell_angle_alpha 78.68098000\n_cell_angle_beta 89.99253000\n_cell_angle_gamma 59.96651000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67001371\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41176735 0.68077304 0.56057545 1\n C C1 1 0.27529488 0.95528682 0.14246884 1\n C C2 1 0.49596186 0.51491321 0.80777224 1\n C C3 1 0.71775606 0.06841640 0.47765291 1\n C C4 1 0.19110570 0.12473449 0.89136327 1\n C C5 1 0.63626226 0.23273183 0.22669439 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43270000\n_cell_length_b 6.48165000\n_cell_length_c 8.24327000\n_cell_angle_alpha 114.50713000\n_cell_angle_beta 92.99385000\n_cell_angle_gamma 103.33833000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 113.46134593\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21225895 -0.08319857 0.33775056 1\n C C1 1 0.23254945 0.44990939 0.89796642 1\n C C2 1 1.10932523 0.30027866 0.16305496 1\n C C3 1 0.69883993 0.48519177 0.64236110 1\n C C4 1 1.04618821 0.76946358 0.14726968 1\n C C5 1 0.15529973 0.39980122 0.69967612 1\n C C6 1 0.78175163 0.98443039 0.43073261 1\n C C7 1 0.59567849 0.28659826 0.07581718 1\n C C8 1 0.47008990 1.09189494 0.72101727 1\n C C9 1 0.37678972 0.85759453 0.71826119 1\n C C10 1 0.63137516 0.31025910 0.90637237 1\n C C11 1 0.96133347 1.12993175 0.62795034 1\n C C12 1 0.66781447 0.40028081 0.44202515 1\n C C13 1 0.46434446 0.68260237 0.05814582 1\n C C14 1 0.81552971 0.74516370 0.70635175 1\n C C15 1 0.13983501 0.36474710 0.35115429 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32670000\n_cell_length_b 3.32939000\n_cell_length_c 4.82698000\n_cell_angle_alpha 86.35874000\n_cell_angle_beta 61.47141000\n_cell_angle_gamma 66.51773000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.54481502\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87144933 0.29530882 0.26153038 1\n C C1 1 0.65988485 0.50950324 0.07167616 1\n C C2 1 0.92535821 0.23704475 0.76490764 1\n C C3 1 0.71441685 0.45147101 0.57484216 1\n C C4 1 0.31020284 0.85211319 0.76516629 1\n C C5 1 0.27582412 0.89481949 0.07100387 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44503000\n_cell_length_b 6.19425000\n_cell_length_c 6.82276000\n_cell_angle_alpha 62.95700000\n_cell_angle_beta 79.63934000\n_cell_angle_gamma 66.70932000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 84.53409305\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26504989 0.08835367 0.11931662 1\n C C1 1 1.26956500 0.20633448 0.88431946 1\n C C2 1 0.39105498 0.45785079 0.12026359 1\n C C3 1 -0.10900381 0.74888848 0.54079632 1\n C C4 1 0.50636877 0.80090075 0.20491396 1\n C C5 1 0.76198188 0.76824787 0.76173685 1\n C C6 1 0.13118618 0.71799211 1.12078539 1\n C C7 1 0.76995993 0.25996838 0.77600750 1\n C C8 1 0.26248379 0.69857269 0.89974165 1\n C C9 1 0.76568039 0.37841198 0.54131387 1\n C C10 1 0.51751475 0.66594957 0.45655345 1\n C C11 1 1.00618225 0.17621402 0.45603932 1\n C C12 1 0.63067091 1.00907165 0.54113514 1\n C C13 1 1.01762209 0.29033875 0.20491508 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43892000\n_cell_length_b 5.28701000\n_cell_length_c 5.55313000\n_cell_angle_alpha 73.01823000\n_cell_angle_beta 70.08878000\n_cell_angle_gamma 84.03286000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.38857395\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12794011 0.81939950 0.01255751 1\n C C1 1 0.55723773 0.45139693 0.29216081 1\n C C2 1 0.65377460 0.64757613 1.02729018 1\n C C3 1 0.23356527 0.93514564 0.38750909 1\n C C4 1 0.75351423 0.43670590 0.88400907 1\n C C5 1 0.97999852 0.08101375 0.59562047 1\n C C6 1 0.34969467 0.06331977 0.76853970 1\n C C7 1 0.84574783 0.89909570 0.27044596 1\n C C8 1 0.01314494 0.34454104 0.39759251 1\n C C9 1 0.29300190 0.31822995 -0.14944689 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45142000\n_cell_length_b 6.21899000\n_cell_length_c 5.64198000\n_cell_angle_alpha 85.73437000\n_cell_angle_beta 94.11753000\n_cell_angle_gamma 109.68168000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.66439279\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54151379 0.46300471 0.97904436 1\n C C1 1 -0.23215212 0.80382047 0.31456100 1\n C C2 1 0.20389484 1.01548401 0.95081639 1\n C C3 1 0.68896116 0.12337411 0.48500629 1\n C C4 1 1.04009851 0.45470939 0.14312673 1\n C C5 1 0.74056637 0.00275413 0.11173811 1\n C C6 1 0.68467093 0.62100004 0.75269293 1\n C C7 1 0.03473630 -0.03466889 0.51651912 1\n C C8 1 0.84874601 0.21486638 0.24732583 1\n C C9 1 0.36509103 0.25157649 0.83119632 1\n C C10 1 0.86870520 0.28682510 0.67603274 1\n C C11 1 -0.02822297 0.86186098 0.75598505 1\n C C12 1 0.09421323 0.54274300 0.60919157 1\n C C13 1 0.15336521 0.64487049 0.33966465 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.11362000\n_cell_length_b 4.62053000\n_cell_length_c 4.63493000\n_cell_angle_alpha 92.10291000\n_cell_angle_beta 74.70197000\n_cell_angle_gamma 117.73162000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.64018413\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57117785 0.47159987 0.06665197 1\n C C1 1 0.31979248 -0.02806764 0.81620532 1\n C C2 1 0.07088704 0.47221099 0.56634312 1\n C C3 1 0.73935698 0.13852852 0.56733875 1\n C C4 1 -0.01173848 0.63828781 0.81717814 1\n C C5 1 0.49075651 0.63819870 0.31764796 1\n C C6 1 0.82220467 -0.02810861 0.31678714 1\n C C7 1 0.23960605 0.13801917 0.06745149 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.93280000\n_cell_length_b 4.61432000\n_cell_length_c 4.74414000\n_cell_angle_alpha 53.34994000\n_cell_angle_beta 61.09188000\n_cell_angle_gamma 63.09602000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.84509092\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10082735 0.87518076 0.91657371 1\n C C1 1 0.56583931 0.54184743 0.58324038 1\n C C2 1 0.56598812 0.87535404 0.24972229 1\n C C3 1 0.23265479 0.54202070 0.91638896 1\n C C4 1 0.23250598 0.20851410 0.24990704 1\n C C5 1 0.89932145 0.20868737 0.58305562 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44777000\n_cell_length_b 7.99210000\n_cell_length_c 9.75376000\n_cell_angle_alpha 121.47343000\n_cell_angle_beta 104.51434000\n_cell_angle_gamma 89.99711000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 155.55608993\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67547936 0.52420854 0.51751349 1\n C C1 1 0.37424079 0.93609057 0.71795360 1\n C C2 1 1.14116678 -0.01843652 0.49032733 1\n C C3 1 -0.07533878 0.23362959 0.26500560 1\n C C4 1 0.20050007 0.65888431 1.04260383 1\n C C5 1 0.33822523 0.40970593 0.68521112 1\n C C6 1 -0.23494109 0.04814675 0.10416092 1\n C C7 1 0.50250400 0.32545331 0.34314302 1\n C C8 1 0.95084891 1.02424638 0.79313474 1\n C C9 1 0.27195598 0.54168801 0.61443098 1\n C C10 1 0.62605100 0.68101394 0.46919581 1\n C C11 1 1.06526409 0.72111563 0.90967917 1\n C C12 1 0.06864323 0.23242818 0.91172821 1\n C C13 1 0.60672801 0.33146747 0.94826724 1\n C C14 1 0.19396635 0.94907595 0.03371021 1\n C C15 1 0.86688510 0.55992689 0.20633458 1\n C C16 1 0.80077493 0.29789620 0.64881459 1\n C C17 1 0.45859450 0.63529514 0.80310389 1\n C C18 1 -0.04132597 0.89274676 0.30551647 1\n C C19 1 0.70883285 1.10058205 0.55812045 1\n C C20 1 0.70197955 0.54842565 0.04346190 1\n C C21 1 0.37361723 0.84424753 0.21965192 1\n C C22 1 0.19116817 0.80990486 0.53475251 1\n C C23 1 0.44221223 0.56941799 0.28198821 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48436000\n_cell_length_b 3.82278000\n_cell_length_c 5.78361000\n_cell_angle_alpha 89.78841000\n_cell_angle_beta 64.56385000\n_cell_angle_gamma 71.00730000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.30351934\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64147065 0.34135975 0.39873540 1\n C C1 1 0.61253960 -0.15546856 0.17683122 1\n C C2 1 0.60177082 0.19385824 1.01338927 1\n C C3 1 0.94238993 0.08554774 0.72683704 1\n C C4 1 0.88378425 0.41691368 0.11933681 1\n C C5 1 -0.34111694 0.86354484 0.62106805 1\n C C6 1 0.93035525 0.43508292 0.56365357 1\n C C7 1 0.90037455 0.93820118 0.34189435 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.34057000\n_cell_length_b 5.41584000\n_cell_length_c 5.16740000\n_cell_angle_alpha 73.99543000\n_cell_angle_beta 66.13114000\n_cell_angle_gamma 51.21374000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 106.48660861\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37400415 0.68651026 -0.11346623 1\n C C1 1 0.64260305 0.53586930 0.59262450 1\n C C2 1 0.22220944 -0.01744941 0.04049574 1\n C C3 1 0.97439282 0.26495225 0.64916250 1\n C C4 1 0.56708036 0.40242417 1.07490828 1\n C C5 1 0.32350816 0.52916157 0.36034911 1\n C C6 1 0.84019988 0.61883040 0.31962432 1\n C C7 1 0.08448620 0.88022697 0.32942987 1\n C C8 1 0.53859792 0.95764324 -0.02571029 1\n C C9 1 0.74843652 0.93108718 0.36900557 1\n C C10 1 0.51089878 0.14446979 1.17344405 1\n C C11 1 0.86314542 0.62365454 1.01081058 1\n C C12 1 0.13382690 0.67982103 0.81411734 1\n C C13 1 1.16945592 0.36034682 0.38145792 1\n C C14 1 0.62956816 0.07675432 0.66864475 1\n C C15 1 -0.02014187 0.98263538 0.62386072 1\n C C16 1 0.43764059 0.43004796 0.60273274 1\n C C17 1 0.92929219 0.31047794 0.94825993 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.61269000\n_cell_length_b 4.60793000\n_cell_length_c 5.73204000\n_cell_angle_alpha 98.08982000\n_cell_angle_beta 128.29017000\n_cell_angle_gamma 95.39612000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 92.06290915\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75721551 0.17284659 0.33061442 1\n C C1 1 0.95982140 0.25438063 0.05156425 1\n C C2 1 0.11964051 0.28815514 0.38266099 1\n C C3 1 0.35184880 0.59857223 0.56642743 1\n C C4 1 1.06206672 0.59453102 0.04929624 1\n C C5 1 0.54691301 0.10745042 0.85406872 1\n C C6 1 0.14597528 0.78458894 0.33602035 1\n C C7 1 0.43925496 0.61272522 1.06978374 1\n C C8 1 0.38807679 1.09776057 0.52383838 1\n C C9 1 0.79978182 0.83123813 0.33625091 1\n C C10 1 0.74542746 0.25630012 0.58310506 1\n C C11 1 0.35314308 0.75970119 0.80973787 1\n C C12 1 -0.03546531 0.81547735 0.66396375 1\n C C13 1 0.76410111 0.58341232 0.70411138 1\n C C14 1 0.44619378 0.27218900 1.02420090 1\n C C15 1 1.04597050 0.12981703 0.85088221 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.24234000\n_cell_length_b 4.23408000\n_cell_length_c 3.62764000\n_cell_angle_alpha 131.67617000\n_cell_angle_beta 89.92079000\n_cell_angle_gamma 120.03437000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.17942038\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12012240 0.27683766 0.50910211 1\n C C1 1 0.48106524 0.27677557 0.50887672 1\n C C2 1 0.33290105 0.70218761 0.17163100 1\n C C3 1 1.06555815 0.48982791 0.34078068 1\n C C4 1 0.74846603 0.48923316 0.33980550 1\n C C5 1 0.69400091 0.70225379 1.17144820 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.82471000\n_cell_length_b 4.46796000\n_cell_length_c 6.85333000\n_cell_angle_alpha 124.91808000\n_cell_angle_beta 109.97111000\n_cell_angle_gamma 88.69490000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 110.95701880\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85560574 0.32978451 0.68375902 1\n C C1 1 0.91747259 0.67328043 0.31936487 1\n C C2 1 0.38837333 0.45149329 0.76369865 1\n C C3 1 -0.25538586 0.10874967 0.24587104 1\n C C4 1 0.76453341 0.31036831 1.02401072 1\n C C5 1 0.24589829 1.19032064 0.96507194 1\n C C6 1 0.93645864 0.87503929 0.09722375 1\n C C7 1 0.82610947 0.65462922 0.65929769 1\n C C8 1 0.70976391 -0.04064647 0.39105909 1\n C C9 1 0.29465127 0.53276887 0.57982288 1\n C C10 1 0.97232738 0.02506560 0.95266812 1\n C C11 1 0.50334730 0.65155512 0.53156294 1\n C C12 1 0.43536710 0.79455830 0.37830610 1\n C C13 1 0.53092683 1.15956195 1.05590122 1\n C C14 1 0.14991019 0.82394678 0.28683880 1\n C C15 1 0.17905521 0.33322357 0.81176961 1\n C C16 1 0.71281817 0.46506891 0.87706522 1\n C C17 1 -0.02989437 0.51905432 0.46657014 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48095000\n_cell_length_b 3.68626000\n_cell_length_c 4.22203000\n_cell_angle_alpha 105.07081000\n_cell_angle_beta 89.96061000\n_cell_angle_gamma 109.61996000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.95988325\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52471458 0.53403107 0.50472852 1\n C C1 1 0.84708634 0.17836068 0.80272670 1\n C C2 1 0.72093105 -0.06939974 0.42838049 1\n C C3 1 0.26883970 1.02159020 -0.06670936 1\n C C4 1 0.04505222 0.57501957 0.72632273 1\n C C5 1 0.29944761 0.08754722 0.29785991 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48786000\n_cell_length_b 2.48760000\n_cell_length_c 6.57700000\n_cell_angle_alpha 67.73738000\n_cell_angle_beta 79.06375000\n_cell_angle_gamma 59.97236000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61371029\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02990800 0.85225871 0.57127844 1\n C C1 1 0.30361044 0.26907736 0.48767519 1\n C C2 1 0.96925087 0.60175316 0.82144587 1\n C C3 1 0.63590473 0.18550085 0.90432368 1\n C C4 1 0.30412967 0.51855465 0.23740433 1\n C C5 1 0.63744449 -0.06502853 0.15425998 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44559000\n_cell_length_b 5.57774000\n_cell_length_c 6.96775000\n_cell_angle_alpha 90.24998000\n_cell_angle_beta 100.07564000\n_cell_angle_gamma 89.98730000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 93.57939865\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18146013 0.14834073 0.75461485 1\n C C1 1 0.65187328 0.52862224 0.70135747 1\n C C2 1 0.65157678 0.76800280 0.70065918 1\n C C3 1 1.01855335 0.39047493 0.42912632 1\n C C4 1 0.12653452 0.39254784 0.64883579 1\n C C5 1 0.81618550 0.34457972 0.02789204 1\n C C6 1 0.12610137 -0.09654146 0.64786889 1\n C C7 1 0.46792617 0.40044540 0.32931690 1\n C C8 1 0.36484951 0.90641742 0.12229488 1\n C C9 1 0.36477736 0.38947098 0.12376027 1\n C C10 1 0.01832982 -0.09532527 0.42804587 1\n C C11 1 0.46762803 0.89457236 0.32790772 1\n C C12 1 0.81621788 0.95166174 0.02649000 1\n C C13 1 0.74346690 0.14834698 0.88035473 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46623000\n_cell_length_b 3.62716000\n_cell_length_c 6.47942000\n_cell_angle_alpha 75.62699000\n_cell_angle_beta 82.39915000\n_cell_angle_gamma 62.33187000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.71685273\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32697978 0.88133072 0.86891313 1\n C C1 1 1.02507746 0.60857143 0.86962654 1\n C C2 1 0.68437163 0.37704808 0.58084098 1\n C C3 1 0.31128962 0.29208164 0.08245574 1\n C C4 1 1.00955882 0.01888112 0.08344771 1\n C C5 1 0.15101129 0.58863151 0.24263122 1\n C C6 1 0.18498555 0.31059622 0.70962588 1\n C C7 1 0.65217285 0.52122968 0.37162410 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46120000\n_cell_length_b 7.45584000\n_cell_length_c 4.69188000\n_cell_angle_alpha 97.58544000\n_cell_angle_beta 74.75779000\n_cell_angle_gamma 80.49027000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.52277462\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14398597 0.42797664 1.14061665 1\n C C1 1 0.87844349 0.42358069 0.67515394 1\n C C2 1 0.15053126 0.84097744 0.70935593 1\n C C3 1 0.68410984 0.49861780 0.99229107 1\n C C4 1 0.63319518 0.94535978 0.63955708 1\n C C5 1 0.36547030 0.66689048 0.46094580 1\n C C6 1 -0.21447401 0.98128465 0.30149199 1\n C C7 1 0.51645462 0.70315992 0.12286061 1\n C C8 1 0.27338105 0.22468947 0.08663452 1\n C C9 1 1.00766311 0.22002967 0.62063113 1\n C C10 1 0.93177399 0.54198969 0.45408110 1\n C C11 1 0.46749951 0.14973092 0.76904059 1\n C C12 1 0.22015155 0.10551225 0.30729514 1\n C C13 1 -0.00219025 0.80775721 0.05362045 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48915000\n_cell_length_b 4.30667000\n_cell_length_c 4.30525000\n_cell_angle_alpha 99.61813000\n_cell_angle_beta 89.99900000\n_cell_angle_gamma 106.79801000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.50465967\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05667792 0.80305540 -0.08460113 1\n C C1 1 0.86984302 0.42824302 0.85322793 1\n C C2 1 0.61987812 0.92826726 0.10299696 1\n C C3 1 0.80672993 0.30307018 0.16565635 1\n C C4 1 0.30660363 0.30303262 0.66565219 1\n C C5 1 0.55641445 0.80304955 0.41539710 1\n C C6 1 0.36985843 0.42825290 0.35323070 1\n C C7 1 1.11959259 0.92823696 0.60299152 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48551000\n_cell_length_b 4.50291000\n_cell_length_c 9.19731000\n_cell_angle_alpha 85.31626000\n_cell_angle_beta 90.55743000\n_cell_angle_gamma 66.47173000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.96261144\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12402117 0.21773045 0.35395901 1\n C C1 1 0.33038149 0.40582285 0.71203521 1\n C C2 1 1.16599268 0.61483982 0.48116385 1\n C C3 1 0.81302618 0.39786902 0.48825040 1\n C C4 1 0.35775993 0.27430450 0.98809652 1\n C C5 1 0.38958853 0.89416743 0.68594390 1\n C C6 1 0.60788956 0.69976894 0.11587195 1\n C C7 1 0.45523047 0.94390214 -0.01643479 1\n C C8 1 0.97713756 0.24722472 0.65513694 1\n C C9 1 0.22145890 0.51602047 0.86057308 1\n C C10 1 0.03790375 0.73567899 0.62900607 1\n C C11 1 0.25040140 0.46525512 0.11857807 1\n C C12 1 0.54417489 0.75172924 0.85394134 1\n C C13 1 0.54719931 0.86749192 0.25324609 1\n C C14 1 0.35385342 0.24340845 0.25705457 1\n C C15 1 0.06505440 0.84553996 0.34832898 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48198000\n_cell_length_b 3.68735000\n_cell_length_c 4.89761000\n_cell_angle_alpha 66.84401000\n_cell_angle_beta 59.52738000\n_cell_angle_gamma 70.34421000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98464342\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12421663 0.57127109 0.85562341 1\n C C1 1 0.85952309 0.01719860 0.64880692 1\n C C2 1 0.89955248 0.92747144 0.15370668 1\n C C3 1 0.17488176 0.53046715 1.07741677 1\n C C4 1 0.14997203 0.17390206 0.77961373 1\n C C5 1 1.19129627 0.08455246 0.28400349 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48126000\n_cell_length_b 3.68926000\n_cell_length_c 4.84168000\n_cell_angle_alpha 122.58548000\n_cell_angle_beta 75.16323000\n_cell_angle_gamma 109.65390000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01145187\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01600316 0.08015245 0.57139653 1\n C C1 1 0.46459683 0.26283941 0.79330517 1\n C C2 1 0.78704629 0.60683968 0.49537353 1\n C C3 1 0.66442616 0.73629999 0.86871213 1\n C C4 1 0.20850661 0.31905532 0.36447965 1\n C C5 1 0.24256817 1.02391255 0.99974090 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42799000\n_cell_length_b 4.84740000\n_cell_length_c 4.85822000\n_cell_angle_alpha 105.53812000\n_cell_angle_beta 120.18137000\n_cell_angle_gamma 60.09040000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.83295636\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17590680 0.30956110 0.35243034 1\n C C1 1 0.67655777 0.74724401 0.78878633 1\n C C2 1 0.26832908 0.80713805 0.44196926 1\n C C3 1 0.76789197 0.65612819 0.29149283 1\n C C4 1 0.36132658 0.71653864 0.94435009 1\n C C5 1 0.86115430 0.15387382 0.38355285 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.16948000\n_cell_length_b 3.85526000\n_cell_length_c 5.68414000\n_cell_angle_alpha 76.46758000\n_cell_angle_beta 106.92889000\n_cell_angle_gamma 116.05870000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.23470400\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00013299 0.65813089 0.81382060 1\n C C1 1 0.17687741 -0.15542315 0.43290124 1\n C C2 1 -0.18763532 0.47988339 0.43178317 1\n C C3 1 0.99215018 0.66337797 0.05191944 1\n C C4 1 0.31553513 -0.02660951 0.66348040 1\n C C5 1 0.30247826 0.97670761 0.20126909 1\n C C6 1 0.67520544 0.35016839 0.20164791 1\n C C7 1 0.68845532 0.34670981 0.66375875 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48127000\n_cell_length_b 3.68788000\n_cell_length_c 4.21867000\n_cell_angle_alpha 75.08218000\n_cell_angle_beta 89.91886000\n_cell_angle_gamma 70.37159000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98100083\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67638173 0.85754602 0.60228580 1\n C C1 1 0.63889103 0.92655219 0.23710631 1\n C C2 1 0.41629281 0.37197060 0.03080895 1\n C C3 1 0.21728473 0.76969343 1.10641365 1\n C C4 1 0.89634658 0.41234896 0.80869955 1\n C C5 1 0.09797252 0.01474530 0.73285763 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44616000\n_cell_length_b 4.58385000\n_cell_length_c 6.22758000\n_cell_angle_alpha 98.48420000\n_cell_angle_beta 78.61916000\n_cell_angle_gamma 105.61886000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.59754244\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19004713 0.49412756 0.48476770 1\n C C1 1 0.08079087 0.17478210 0.38200229 1\n C C2 1 0.91183542 0.60803221 0.15256558 1\n C C3 1 0.76038775 0.87798774 0.73038614 1\n C C4 1 0.39295464 0.69461610 0.27617312 1\n C C5 1 0.65089336 0.55852628 0.62647900 1\n C C6 1 0.30806149 0.02332722 0.77349473 1\n C C7 1 -0.07132141 0.44434813 0.95942338 1\n C C8 1 0.53049931 1.02820931 0.34163492 1\n C C9 1 0.44622753 0.35701383 0.83718293 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45569000\n_cell_length_b 4.37190000\n_cell_length_c 8.63860000\n_cell_angle_alpha 83.30948000\n_cell_angle_beta 96.54294000\n_cell_angle_gamma 94.76812000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 91.28316162\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20562386 0.86624775 0.23314568 1\n C C1 1 0.56611278 0.43559577 0.92665074 1\n C C2 1 0.57741861 0.03923772 0.50785008 1\n C C3 1 0.14171419 0.20632101 0.16693275 1\n C C4 1 0.66365342 0.36028147 0.23015823 1\n C C5 1 0.11530397 0.06094048 0.62231635 1\n C C6 1 0.61031698 0.74288098 -0.00116232 1\n C C7 1 0.48607601 0.59546947 0.75979047 1\n C C8 1 1.23003090 0.50306404 0.46575765 1\n C C9 1 0.67570292 0.70652884 0.17333693 1\n C C10 1 0.68446014 0.34277667 0.40669082 1\n C C11 1 0.28088261 0.39724533 0.63584015 1\n C C12 1 0.32529931 0.81833155 0.40544404 1\n C C13 1 1.03834221 0.81638327 0.76027144 1\n C C14 1 0.07979691 0.24557784 -0.02139679 1\n C C15 1 1.09044076 -0.08597579 0.92935918 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47534000\n_cell_length_b 4.25266000\n_cell_length_c 3.72721000\n_cell_angle_alpha 64.12943000\n_cell_angle_beta 90.08230000\n_cell_angle_gamma 90.12815000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.30332038\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77344282 0.51069860 0.36242220 1\n C C1 1 0.77404602 0.23310737 0.79759777 1\n C C2 1 0.27386286 1.01028752 0.81652144 1\n C C3 1 0.77353432 0.23281722 0.20561065 1\n C C4 1 0.27388281 0.73233231 0.25116036 1\n C C5 1 0.27344886 0.00997718 0.40875717 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39883000\n_cell_length_b 4.78734000\n_cell_length_c 4.78762000\n_cell_angle_alpha 117.52440000\n_cell_angle_beta 102.63665000\n_cell_angle_gamma 122.62562000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.34928941\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32240199 0.91447415 0.93398532 1\n C C1 1 -0.09652643 0.16801067 0.74230324 1\n C C2 1 0.28618949 0.74167772 0.55115109 1\n C C3 1 0.28610576 0.26096442 0.07040380 1\n C C4 1 0.15684440 0.16114598 0.52200908 1\n C C5 1 0.90338984 0.68729737 0.26155595 1\n C C6 1 1.03273492 0.26782911 0.29069796 1\n C C7 1 0.86717734 0.51450094 0.87872172 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46213000\n_cell_length_b 6.39132000\n_cell_length_c 5.92635000\n_cell_angle_alpha 101.24476000\n_cell_angle_beta 101.98451000\n_cell_angle_gamma 101.13442000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.78194854\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02151701 0.73353707 0.28177253 1\n C C1 1 0.69571343 0.71948359 0.64205277 1\n C C2 1 0.40455652 0.59311354 0.19089388 1\n C C3 1 0.52779872 0.46846858 0.55951259 1\n C C4 1 1.02881461 0.90561261 1.12285012 1\n C C5 1 0.60998207 0.03766906 0.15270177 1\n C C6 1 0.82143021 0.72068923 0.89829256 1\n C C7 1 0.36433540 1.05595086 0.63983099 1\n C C8 1 0.34792779 0.38556632 0.28317609 1\n C C9 1 0.93175924 0.16519777 0.66640073 1\n C C10 1 0.05646941 0.40405546 0.68345493 1\n C C11 1 0.74855961 0.25583305 0.21494152 1\n C C12 1 0.26671223 0.58434981 0.92328571 1\n C C13 1 0.19909935 0.81267965 0.55503442 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46373000\n_cell_length_b 6.98782000\n_cell_length_c 6.59330000\n_cell_angle_alpha 41.27973000\n_cell_angle_beta 77.27267000\n_cell_angle_gamma 70.48171000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.49735505\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20524827 -0.26209279 0.58554955 1\n C C1 1 1.00744164 0.95296558 0.11107900 1\n C C2 1 0.30547174 0.40293179 0.90725936 1\n C C3 1 0.94629768 0.73805441 0.95918502 1\n C C4 1 0.51341476 0.43956885 0.42911591 1\n C C5 1 0.91261163 0.27133318 0.89454538 1\n C C6 1 -0.05231186 0.44512857 0.55954280 1\n C C7 1 0.19460799 0.39632134 0.14790663 1\n C C8 1 0.35766558 0.75448273 1.08705974 1\n C C9 1 0.94666883 0.92694300 0.62801845 1\n C C10 1 0.71771908 0.25872648 0.36220810 1\n C C11 1 -0.20533543 0.75663545 0.42780255 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43083000\n_cell_length_b 3.07229000\n_cell_length_c 8.60608000\n_cell_angle_alpha 109.51845000\n_cell_angle_beta 73.24863000\n_cell_angle_gamma 90.48851000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.73295370\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44089771 0.43665936 0.01191780 1\n C C1 1 0.10769851 0.10432516 0.34522729 1\n C C2 1 0.35683353 0.59902234 0.59630552 1\n C C3 1 0.69168818 0.94055977 0.26115913 1\n C C4 1 0.19026494 -0.06790358 0.76290953 1\n C C5 1 0.94089168 0.43452284 0.51229928 1\n C C6 1 0.85743406 0.60489977 0.09537747 1\n C C7 1 0.60682590 0.09925835 0.84644748 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43706000\n_cell_length_b 4.22811000\n_cell_length_c 6.51543000\n_cell_angle_alpha 85.20552000\n_cell_angle_beta 79.28444000\n_cell_angle_gamma 90.05064000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 65.72525604\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71383587 1.03336766 0.74130954 1\n C C1 1 0.84111264 0.48198062 0.49493384 1\n C C2 1 0.39141037 0.52230577 0.39239332 1\n C C3 1 0.20717347 0.87426200 0.75716430 1\n C C4 1 0.17695310 0.52767419 0.82168983 1\n C C5 1 0.03152919 0.12957885 0.13157697 1\n C C6 1 0.05791969 0.47574508 0.06727722 1\n C C7 1 0.52640032 0.97052228 0.14441606 1\n C C8 1 0.72343228 0.38702966 0.72547915 1\n C C9 1 0.51164788 0.61696728 0.16274218 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48158000\n_cell_length_b 3.68962000\n_cell_length_c 4.84270000\n_cell_angle_alpha 111.48951000\n_cell_angle_beta 104.85694000\n_cell_angle_gamma 109.66534000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01438618\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50781805 0.46063705 1.10431534 1\n C C1 1 0.52383786 0.69958295 0.89757608 1\n C C2 1 0.79849764 0.17280756 0.97333247 1\n C C3 1 0.82132765 0.51704463 0.67588517 1\n C C4 1 0.54662162 0.04361713 0.60005364 1\n C C5 1 -0.16224283 0.75603248 0.46932780 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46722000\n_cell_length_b 3.78321000\n_cell_length_c 5.11225000\n_cell_angle_alpha 90.06091000\n_cell_angle_beta 90.25416000\n_cell_angle_gamma 89.99603000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.71730311\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11526581 0.70474883 0.37865168 1\n C C1 1 0.38443613 0.71996350 0.81358051 1\n C C2 1 0.88290475 0.21302262 0.65421695 1\n C C3 1 0.88624686 1.01895539 0.19283579 1\n C C4 1 -0.11522475 0.33204155 0.37894458 1\n C C5 1 0.38442986 0.31937778 0.81381564 1\n C C6 1 0.88288542 0.82552562 0.65401044 1\n C C7 1 0.38459424 0.01963942 1.02050673 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45401000\n_cell_length_b 6.17366000\n_cell_length_c 6.74748000\n_cell_angle_alpha 114.83841000\n_cell_angle_beta 94.60995000\n_cell_angle_gamma 102.77144000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 88.72438015\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.20215728 0.68471192 0.69800255 1\n C C1 1 0.48455826 0.23861257 0.27535286 1\n C C2 1 0.75535571 0.75051221 0.40617395 1\n C C3 1 0.48065181 0.08609148 0.39932075 1\n C C4 1 1.19917450 0.64559707 0.46531231 1\n C C5 1 0.19591754 0.18166151 0.74310819 1\n C C6 1 0.35997055 -0.03863496 0.15104347 1\n C C7 1 -0.01732744 0.03380031 0.49650903 1\n C C8 1 1.04545990 0.37586614 0.27569251 1\n C C9 1 0.76446447 0.81136480 0.05402338 1\n C C10 1 0.00982818 0.45463430 0.08626945 1\n C C11 1 0.72436749 0.71304152 0.80735453 1\n C C12 1 0.78242310 0.26125419 0.85290558 1\n C C13 1 0.62505845 0.61908793 0.14507234 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42841000\n_cell_length_b 4.15272000\n_cell_length_c 6.26169000\n_cell_angle_alpha 74.88063000\n_cell_angle_beta 101.18741000\n_cell_angle_gamma 89.91298000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.71119588\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40553097 0.77389623 0.77292167 1\n C C1 1 -0.36410336 0.62595783 0.22707854 1\n C C2 1 0.30496858 0.66946247 0.57062473 1\n C C3 1 0.62022446 0.29253218 0.18457660 1\n C C4 1 0.08031484 0.81528209 0.11551118 1\n C C5 1 0.75474418 0.62787829 0.46939210 1\n C C6 1 0.95728098 0.81456992 0.87415570 1\n C C7 1 0.10609116 0.14865059 0.15629067 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48156000\n_cell_length_b 3.74004000\n_cell_length_c 3.84430000\n_cell_angle_alpha 89.92965000\n_cell_angle_beta 90.00723000\n_cell_angle_gamma 89.99133000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.67943455\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12374954 0.83416527 0.25605396 1\n C C1 1 0.12379676 0.10043456 0.55078027 1\n C C2 1 0.62376797 0.33875558 0.96052727 1\n C C3 1 0.62375142 0.33794245 0.55018339 1\n C C4 1 0.62373796 0.60489252 0.25556730 1\n C C5 1 0.12381025 0.10116512 0.96109550 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42841000\n_cell_length_b 6.79566000\n_cell_length_c 5.94415000\n_cell_angle_alpha 91.71676000\n_cell_angle_beta 114.07907000\n_cell_angle_gamma 100.34727000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.51790935\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53625950 0.14573190 1.01544039 1\n C C1 1 0.37052837 0.43987454 0.19807428 1\n C C2 1 0.06149140 0.03796027 0.09560171 1\n C C3 1 -0.10902998 0.66395608 0.61073840 1\n C C4 1 0.57299756 1.00832534 0.62027721 1\n C C5 1 0.76641288 0.34851517 1.14248326 1\n C C6 1 0.84435731 0.44941703 0.67102103 1\n C C7 1 -0.15137505 0.82553341 -0.01351084 1\n C C8 1 0.59345015 0.64477653 0.32010238 1\n C C9 1 0.06496039 0.75175685 0.23846336 1\n C C10 1 0.29425510 0.34601446 0.66987323 1\n C C11 1 0.23794283 0.12945886 0.72400202 1\n C C12 1 1.27966764 0.96433580 0.34743766 1\n C C13 1 0.55487780 0.78559854 0.71337790 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43180000\n_cell_length_b 3.07626000\n_cell_length_c 6.40682000\n_cell_angle_alpha 83.87871000\n_cell_angle_beta 79.28141000\n_cell_angle_gamma 111.69648000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.94091667\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70463487 0.60816536 0.72708188 1\n C C1 1 0.14984825 0.61216820 0.83759957 1\n C C2 1 1.04013001 0.61235833 0.05959302 1\n C C3 1 0.37220141 0.60927336 0.39334277 1\n C C4 1 0.48372204 0.61373600 0.17095608 1\n C C5 1 -0.18490209 0.60948536 0.50495609 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45083000\n_cell_length_b 4.63956000\n_cell_length_c 4.53659000\n_cell_angle_alpha 94.48626000\n_cell_angle_beta 74.36700000\n_cell_angle_gamma 121.90494000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.04126658\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00712868 0.28308823 0.40097165 1\n C C1 1 0.87304333 0.75979419 0.59455388 1\n C C2 1 1.01452468 0.14966296 0.09317190 1\n C C3 1 0.51202274 0.08061087 0.95947369 1\n C C4 1 0.65084874 0.47036236 0.45848719 1\n C C5 1 0.53166299 0.94714829 0.65111328 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48274000\n_cell_length_b 4.49020000\n_cell_length_c 3.84494000\n_cell_angle_alpha 90.03835000\n_cell_angle_beta 90.01665000\n_cell_angle_gamma 123.58957000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.70612434\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.85019776 0.61517453 0.60131508 1\n C C1 1 0.85089403 0.61559907 0.19066103 1\n C C2 1 0.58308314 0.34811715 0.89594024 1\n C C3 1 0.58667458 0.85181222 0.60157466 1\n C C4 1 0.85448548 0.11929413 0.89629545 1\n C C5 1 0.58737086 0.85223675 0.19092061 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46637000\n_cell_length_b 3.19791000\n_cell_length_c 7.90236000\n_cell_angle_alpha 69.37463000\n_cell_angle_beta 89.99060000\n_cell_angle_gamma 67.28277000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.13681109\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37871439 0.50528687 0.59840950 1\n C C1 1 0.56198284 0.13615049 0.33314164 1\n C C2 1 0.47127110 0.31937468 0.14868413 1\n C C3 1 0.92322681 0.41632772 0.04870892 1\n C C4 1 0.01787428 0.22739224 0.59894106 1\n C C5 1 0.83252695 0.59865344 0.86436772 1\n C C6 1 0.11728789 1.02664772 0.44052566 1\n C C7 1 0.27880925 0.70646195 0.75700148 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.19445000\n_cell_length_b 5.59961000\n_cell_length_c 7.28393000\n_cell_angle_alpha 86.86326000\n_cell_angle_beta 111.84455000\n_cell_angle_gamma 130.39078000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.85165195\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87845299 0.61380062 0.66170574 1\n C C1 1 0.44945878 0.86380746 0.82679667 1\n C C2 1 0.68205015 0.77638798 -0.00636485 1\n C C3 1 1.07620583 0.45112322 0.34263662 1\n C C4 1 0.24553418 1.02725905 0.14984969 1\n C C5 1 -0.03144059 1.02931100 0.49694568 1\n C C6 1 0.78387388 0.19623339 0.82660764 1\n C C7 1 0.35689635 0.44856296 0.99297032 1\n C C8 1 0.74631772 0.12445534 0.34340454 1\n C C9 1 0.64421400 0.70159615 0.49608694 1\n C C10 1 0.57463849 0.35431876 0.14942934 1\n C C11 1 0.54600942 0.28151858 0.66178127 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.55759000\n_cell_length_b 3.28556000\n_cell_length_c 5.02518000\n_cell_angle_alpha 79.80339000\n_cell_angle_beta 67.29671000\n_cell_angle_gamma 103.50583000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.29677526\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40345175 0.33481323 0.30687912 1\n C C1 1 0.33165293 0.47127056 0.55956654 1\n C C2 1 0.85696570 0.40040530 0.10884465 1\n C C3 1 0.13680480 0.86959460 1.01817208 1\n C C4 1 0.66113300 0.79557318 0.56822810 1\n C C5 1 0.58983305 0.93533849 0.81972419 1\n C C6 1 0.95620896 1.19529747 -0.14876861 1\n C C7 1 0.03658351 0.07512757 0.27574045 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48798000\n_cell_length_b 2.48823000\n_cell_length_c 6.57727000\n_cell_angle_alpha 112.25749000\n_cell_angle_beta 79.06186000\n_cell_angle_gamma 120.02069000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.62836445\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78082611 0.87327550 0.76615904 1\n C C1 1 0.78076989 0.62291870 0.51587745 1\n C C2 1 0.11424438 0.95643030 0.18239008 1\n C C3 1 0.11409302 0.20617817 0.43250085 1\n C C4 1 0.44768508 0.54036700 0.09965577 1\n C C5 1 0.44743352 0.29008034 0.84955320 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.12912000\n_cell_length_b 3.63478000\n_cell_length_c 3.57038000\n_cell_angle_alpha 97.65862000\n_cell_angle_beta 77.21954000\n_cell_angle_gamma 123.85032000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.39690338\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37492501 0.17694469 0.18579749 1\n C C1 1 0.87509999 0.23844074 0.68479092 1\n C C2 1 0.56534782 0.58251874 0.99134109 1\n C C3 1 0.56493530 0.96178427 0.99203922 1\n C C4 1 0.06455580 0.02284608 0.49059939 1\n C C5 1 -0.12595332 0.61730367 0.68514279 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43071000\n_cell_length_b 4.20452000\n_cell_length_c 6.15770000\n_cell_angle_alpha 64.75472000\n_cell_angle_beta 91.64895000\n_cell_angle_gamma 90.04526000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.89277177\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44709813 0.96076629 -0.04533663 1\n C C1 1 0.44701858 0.62891915 -0.04697745 1\n C C2 1 -0.05292930 0.46077394 0.95466906 1\n C C3 1 0.86822066 0.11705585 0.45376479 1\n C C4 1 0.86831371 0.44887311 0.45542246 1\n C C5 1 0.94702577 0.12893330 -0.04700897 1\n C C6 1 0.36822313 0.61705520 0.45377190 1\n C C7 1 0.36830891 -0.05112285 0.45541562 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48821000\n_cell_length_b 4.30572000\n_cell_length_c 6.09318000\n_cell_angle_alpha 118.14363000\n_cell_angle_beta 90.00573000\n_cell_angle_gamma 106.78845000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.38450764\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49105513 0.09650280 0.64579964 1\n C C1 1 0.49193958 0.09642526 -0.10414968 1\n C C2 1 0.29175487 0.69636950 1.09576333 1\n C C3 1 0.29275827 0.69671702 0.84583482 1\n C C4 1 0.89105988 0.89656375 0.24575082 1\n C C5 1 0.89066717 0.89630909 0.49576885 1\n C C6 1 0.09310137 0.29670817 0.04587057 1\n C C7 1 0.69348779 0.49669273 0.69584327 1\n C C8 1 0.69411915 0.49682781 0.44589811 1\n C C9 1 0.09390250 0.29677097 0.29586227 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45452000\n_cell_length_b 4.38721000\n_cell_length_c 5.74356000\n_cell_angle_alpha 123.38919000\n_cell_angle_beta 115.75462000\n_cell_angle_gamma 90.34533000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.97058797\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79327146 0.54486449 0.43593635 1\n C C1 1 0.46055204 0.71305110 0.25398988 1\n C C2 1 -0.02516531 1.03910115 -0.05374438 1\n C C3 1 0.06717059 0.34655483 0.88857972 1\n C C4 1 0.41342374 0.32752490 0.70360000 1\n C C5 1 1.02175934 0.96163431 0.33834921 1\n C C6 1 0.50762950 0.63536140 0.64615840 1\n C C7 1 0.68973514 0.13011752 0.15662443 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.04888000\n_cell_length_b 4.59016000\n_cell_length_c 3.62319000\n_cell_angle_alpha 109.28352000\n_cell_angle_beta 84.59772000\n_cell_angle_gamma 75.17613000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 45.37287434\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39935491 0.73400139 0.93165993 1\n C C1 1 0.70309614 0.42548065 0.89701506 1\n C C2 1 0.70362801 0.42503512 0.27820937 1\n C C3 1 0.89534944 0.23354538 0.49129887 1\n C C4 1 0.21005410 0.92636488 0.33741921 1\n C C5 1 0.39898710 0.73441938 0.55046156 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51442000\n_cell_length_b 4.55466000\n_cell_length_c 6.37476000\n_cell_angle_alpha 107.09300000\n_cell_angle_beta 98.29072000\n_cell_angle_gamma 92.86234000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.72211720\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05112767 0.09790993 0.26739437 1\n C C1 1 -0.30155437 0.51933389 0.64608278 1\n C C2 1 0.59687035 0.56061857 0.41252548 1\n C C3 1 0.35650064 0.33739718 0.92622708 1\n C C4 1 0.96287415 0.50664029 0.05613822 1\n C C5 1 1.12279861 0.86665772 0.08964141 1\n C C6 1 0.11067096 0.06000507 0.49514444 1\n C C7 1 1.21246215 0.36019686 0.68426563 1\n C C8 1 0.04211242 0.43370834 0.27922773 1\n C C9 1 0.61482618 0.90001434 0.52816054 1\n C C10 1 0.70326557 0.86026281 0.75958959 1\n C C11 1 0.24990967 -0.01983820 0.89478532 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46527000\n_cell_length_b 3.38399000\n_cell_length_c 6.28507000\n_cell_angle_alpha 56.72183000\n_cell_angle_beta 78.66072000\n_cell_angle_gamma 68.62548000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.81932533\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03104047 0.72641965 0.37963287 1\n C C1 1 0.59795567 0.07179179 0.77947996 1\n C C2 1 0.81888632 0.54946188 0.85433445 1\n C C3 1 0.44794043 0.89546699 0.25427931 1\n C C4 1 1.00795944 0.37706278 0.65421915 1\n C C5 1 0.40881340 0.24429471 0.97965006 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46013000\n_cell_length_b 2.55138000\n_cell_length_c 6.28583000\n_cell_angle_alpha 77.48645000\n_cell_angle_beta 101.31914000\n_cell_angle_gamma 90.13209000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 37.73464163\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93945968 0.82018677 0.42094585 1\n C C1 1 0.29129955 0.47714136 0.12978938 1\n C C2 1 1.05155945 0.70546447 0.65039958 1\n C C3 1 -0.38863936 0.64814958 0.76829695 1\n C C4 1 0.72455774 0.54273503 -0.00179783 1\n C C5 1 0.37327744 0.88794258 0.29001368 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51291000\n_cell_length_b 4.18580000\n_cell_length_c 4.18843000\n_cell_angle_alpha 70.21810000\n_cell_angle_beta 107.46827000\n_cell_angle_gamma 72.55477000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.37030494\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55782532 0.79634817 0.64214984 1\n C C1 1 0.07693339 0.47132898 0.35569552 1\n C C2 1 0.40799965 0.14080857 0.68599950 1\n C C3 1 0.92663792 0.42732029 0.01143757 1\n C C4 1 -0.07355406 0.81578207 0.39942356 1\n C C5 1 0.55812058 0.18460522 1.03043082 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43085000\n_cell_length_b 4.06974000\n_cell_length_c 6.11122000\n_cell_angle_alpha 70.57173000\n_cell_angle_beta 87.68086000\n_cell_angle_gamma 88.27505000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.95972005\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40963367 0.66118536 0.18070699 1\n C C1 1 -0.09030304 0.16138994 0.93059698 1\n C C2 1 0.90983453 0.16122282 0.43041804 1\n C C3 1 0.90980623 0.82888952 0.59755919 1\n C C4 1 0.40993081 0.32889607 0.34787773 1\n C C5 1 0.90985122 0.82877712 0.09732378 1\n C C6 1 0.40953827 0.66144594 0.68105263 1\n C C7 1 0.40979032 0.32915633 0.84813956 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50052000\n_cell_length_b 4.24767000\n_cell_length_c 8.07206000\n_cell_angle_alpha 107.64413000\n_cell_angle_beta 87.36829000\n_cell_angle_gamma 87.89654000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.50154176\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17356779 0.85918874 0.47879266 1\n C C1 1 0.44572542 0.95157061 0.21277102 1\n C C2 1 0.39160481 0.68102482 0.30029063 1\n C C3 1 0.48209140 0.37845661 0.76492179 1\n C C4 1 0.21421071 0.73211450 0.60641596 1\n C C5 1 -0.01486515 0.25670792 0.83810649 1\n C C6 1 -0.03434634 0.20128318 0.47861750 1\n C C7 1 0.50617359 0.75189027 0.85960862 1\n C C8 1 0.43699459 0.37710964 0.57516411 1\n C C9 1 0.94294869 0.15691932 0.27652982 1\n C C10 1 0.46886460 0.71150996 0.03528294 1\n C C11 1 0.92107263 0.47310142 0.22756354 1\n C C12 1 -0.03509251 0.49293871 0.03325594 1\n C C13 1 1.02648748 0.88617720 0.79618520 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47673000\n_cell_length_b 6.19330000\n_cell_length_c 7.51462000\n_cell_angle_alpha 96.86880000\n_cell_angle_beta 89.98086000\n_cell_angle_gamma 78.44316000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 112.08533592\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84708625 0.90787826 0.33922003 1\n C C1 1 0.63314090 0.33093565 0.25893778 1\n C C2 1 0.75794691 1.07878803 0.70790729 1\n C C3 1 0.44172811 0.71310450 0.64318986 1\n C C4 1 0.31810970 -0.04287284 0.73448194 1\n C C5 1 0.29514056 1.01032395 0.32782141 1\n C C6 1 0.51382203 0.57204161 0.28420515 1\n C C7 1 0.56994770 0.45276671 1.09541264 1\n C C8 1 0.17533367 0.24802682 0.33446037 1\n C C9 1 0.95515221 0.68497017 0.91800855 1\n C C10 1 0.41777172 0.75965358 0.84395070 1\n C C11 1 0.66507554 0.26571167 0.62599536 1\n C C12 1 -0.01098331 0.61768017 0.55621778 1\n C C13 1 0.12192741 0.35255395 0.55004243 1\n C C14 1 -0.03702473 0.67284864 0.36021270 1\n C C15 1 0.04085344 0.51136623 1.01210350 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48025000\n_cell_length_b 5.96079000\n_cell_length_c 5.47254000\n_cell_angle_alpha 62.62213000\n_cell_angle_beta 89.90213000\n_cell_angle_gamma 77.93100000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.84041690\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19244775 0.09603350 0.55937003 1\n C C1 1 0.56556291 0.34124849 0.72946701 1\n C C2 1 0.38205976 0.71105875 0.94278026 1\n C C3 1 0.62119543 0.23716803 0.03695741 1\n C C4 1 -0.00343126 0.48172594 0.55687093 1\n C C5 1 0.05309472 0.37107658 0.33368326 1\n C C6 1 0.52813022 0.42373623 0.15482944 1\n C C7 1 0.69150385 0.09599278 0.71160115 1\n C C8 1 0.76381527 -0.04413888 1.17784201 1\n C C9 1 0.32967447 0.82112983 0.60909897 1\n C C10 1 0.85749600 0.76853739 0.48274319 1\n C C11 1 0.81103076 0.85160577 0.97519373 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47418000\n_cell_length_b 4.96449000\n_cell_length_c 4.30395000\n_cell_angle_alpha 89.99204000\n_cell_angle_beta 90.00353000\n_cell_angle_gamma 119.90125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.82843969\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73579852 0.72633698 -0.16208540 1\n C C1 1 0.73646507 0.72704633 0.47704744 1\n C C2 1 0.37521209 0.36614872 0.47621674 1\n C C3 1 0.73637579 0.22707647 0.33708915 1\n C C4 1 0.37454555 0.36543937 0.83708390 1\n C C5 1 0.37537930 0.86616918 0.33790771 1\n C C6 1 0.37463482 0.86540923 -0.02295781 1\n C C7 1 0.73563131 0.22631652 -0.02377637 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45000000\n_cell_length_b 5.25108000\n_cell_length_c 5.42897000\n_cell_angle_alpha 64.16332000\n_cell_angle_beta 89.92326000\n_cell_angle_gamma 89.96762000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 62.86277694\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55416064 0.77181503 0.92945883 1\n C C1 1 0.55372559 0.68111823 0.69716324 1\n C C2 1 0.55388979 0.56142680 0.24588255 1\n C C3 1 0.05395614 0.22535501 0.86104443 1\n C C4 1 0.05382676 0.79734622 0.51804996 1\n C C5 1 0.05391872 0.91600343 0.97040412 1\n C C6 1 0.55359123 0.25233781 0.35617717 1\n C C7 1 1.05406064 0.11088069 0.40616833 1\n C C8 1 0.05374369 0.70571928 0.28632168 1\n C C9 1 0.55420339 0.36709480 0.80913470 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47594000\n_cell_length_b 3.72177000\n_cell_length_c 4.92104000\n_cell_angle_alpha 112.27079000\n_cell_angle_beta 120.25531000\n_cell_angle_gamma 89.95571000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.20723472\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09622451 0.63349969 0.53803475 1\n C C1 1 0.37272856 0.42994478 0.31498074 1\n C C2 1 0.37359627 0.02203663 0.31538869 1\n C C3 1 0.09665131 1.04137312 0.53779263 1\n C C4 1 0.37409073 0.47633161 0.81588812 1\n C C5 1 1.09578051 0.58694988 1.03716447 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43301000\n_cell_length_b 5.82879000\n_cell_length_c 4.64334000\n_cell_angle_alpha 112.78878000\n_cell_angle_beta 103.93296000\n_cell_angle_gamma 76.96830000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.27622904\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76205671 0.87098217 0.90317582 1\n C C1 1 0.67871394 0.45486441 0.31991004 1\n C C2 1 1.01206388 0.12047064 0.65262570 1\n C C3 1 0.92870877 0.70544964 1.07052085 1\n C C4 1 0.26203144 0.37104856 0.40325693 1\n C C5 1 0.17872257 -0.04515949 0.81987616 1\n C C6 1 0.51208467 0.62038201 0.15251012 1\n C C7 1 0.42868061 0.20552776 0.57061307 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47838000\n_cell_length_b 2.47762000\n_cell_length_c 6.31099000\n_cell_angle_alpha 78.68215000\n_cell_angle_beta 89.98868000\n_cell_angle_gamma 59.97065000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67829671\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51377058 0.70664340 0.67177361 1\n C C1 1 0.87535444 0.98390162 0.75591841 1\n C C2 1 0.73331826 0.26586937 0.33700332 1\n C C3 1 0.42857366 0.87588593 0.42070091 1\n C C4 1 0.65146454 0.43021448 0.08975100 1\n C C5 1 -0.04182408 0.81802990 1.00684775 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51772000\n_cell_length_b 4.83676000\n_cell_length_c 3.32007000\n_cell_angle_alpha 133.36688000\n_cell_angle_beta 89.99822000\n_cell_angle_gamma 111.33360000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.55457433\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11901043 0.78225504 0.47013250 1\n C C1 1 0.65490779 0.55014231 1.07158530 1\n C C2 1 0.11868241 0.47739214 0.49911515 1\n C C3 1 0.42265497 0.78168982 0.13675570 1\n C C4 1 0.35093058 0.24604784 0.10065515 1\n C C5 1 0.65444593 0.24554415 0.43379060 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51274000\n_cell_length_b 4.18296000\n_cell_length_c 4.18505000\n_cell_angle_alpha 58.88214000\n_cell_angle_beta 107.42549000\n_cell_angle_gamma 107.36967000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.36899674\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.13567225 0.87007528 -0.02837963 1\n C C1 1 0.33250795 0.58299208 0.64650475 1\n C C2 1 0.94525429 0.19488605 0.25898905 1\n C C3 1 -0.05463724 0.82657932 0.62720361 1\n C C4 1 0.33263637 0.21465343 0.01535674 1\n C C5 1 1.13551048 0.53918744 0.30222269 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39470000\n_cell_length_b 3.31315000\n_cell_length_c 6.26699000\n_cell_angle_alpha 67.63889000\n_cell_angle_beta 67.20641000\n_cell_angle_gamma 92.55149000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.55287650\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04141717 0.47326624 0.30815201 1\n C C1 1 0.11176850 1.01088001 0.90126873 1\n C C2 1 0.43425988 1.29804388 0.17041130 1\n C C3 1 0.83783107 0.41277713 0.58312999 1\n C C4 1 0.09123399 0.96338211 0.15361859 1\n C C5 1 0.77098980 0.66710300 0.90806716 1\n C C6 1 0.70954380 0.11516653 0.30863418 1\n C C7 1 0.55672844 -0.04855196 0.75101417 1\n C C8 1 0.06936184 0.46728612 0.73362820 1\n C C9 1 0.52669541 0.74645855 0.58178097 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48617000\n_cell_length_b 4.52439000\n_cell_length_c 9.92516000\n_cell_angle_alpha 127.98826000\n_cell_angle_beta 75.49269000\n_cell_angle_gamma 123.33640000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.85577245\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50360035 0.35684529 0.97059256 1\n C C1 1 0.11530821 -0.03160666 -0.02950557 1\n C C2 1 0.36534825 0.73587072 0.48871425 1\n C C3 1 -0.05380047 0.57067877 0.24232620 1\n C C4 1 0.77432854 0.14470205 0.48860647 1\n C C5 1 0.46346462 0.72194515 0.87588950 1\n C C6 1 1.06015346 0.31883492 0.87593534 1\n C C7 1 0.39296979 0.41283790 0.13724583 1\n C C8 1 0.69169008 0.80768146 0.73393243 1\n C C9 1 0.13750921 0.64527773 0.62557189 1\n C C10 1 0.31058854 0.07205337 0.37942152 1\n C C11 1 0.71858542 0.48022949 0.37940429 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.67035000\n_cell_length_b 4.35842000\n_cell_length_c 4.92476000\n_cell_angle_alpha 89.99710000\n_cell_angle_beta 114.19219000\n_cell_angle_gamma 91.66673000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.82566999\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41886614 0.41305569 0.94088325 1\n C C1 1 0.60043877 0.89916999 -0.21852730 1\n C C2 1 0.25314553 0.72186509 0.79970609 1\n C C3 1 0.04479214 0.87623432 -0.02467341 1\n C C4 1 0.56567126 0.89168315 0.46305354 1\n C C5 1 0.91541117 0.72348064 0.45626517 1\n C C6 1 0.07976275 0.23366820 0.97699069 1\n C C7 1 0.75596629 0.41445112 0.30535937 1\n C C8 1 0.17436462 0.73854801 0.27594288 1\n C C9 1 1.13768765 0.37100978 0.26738142 1\n C C10 1 0.53340567 0.24188323 0.45460538 1\n C C11 1 0.63688680 0.25221447 0.78429714 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46623000\n_cell_length_b 3.51542000\n_cell_length_c 7.40279000\n_cell_angle_alpha 76.26443000\n_cell_angle_beta 84.24438000\n_cell_angle_gamma 65.03961000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.52242165\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32730479 0.27941421 0.96108671 1\n C C1 1 0.32799368 0.87264488 0.77341469 1\n C C2 1 0.15906633 0.35488218 0.36845818 1\n C C3 1 0.63882958 0.14642669 0.77321186 1\n C C4 1 0.63786355 0.55300473 0.96125436 1\n C C5 1 0.48253363 0.57837356 0.63714078 1\n C C6 1 0.48129573 0.84901408 1.09791559 1\n C C7 1 0.98170630 0.63927774 0.51769557 1\n C C8 1 0.80344525 0.07420854 0.36855438 1\n C C9 1 -0.01915114 0.78990999 0.21755367 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.38979000\n_cell_length_b 2.46123000\n_cell_length_c 5.30606000\n_cell_angle_alpha 89.99684000\n_cell_angle_beta 95.19155000\n_cell_angle_gamma 68.87487000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.09885204\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96779002 0.02811668 0.12199316 1\n C C1 1 0.71644201 0.65133674 0.71898945 1\n C C2 1 0.77632751 0.62276957 -0.00555252 1\n C C3 1 0.61858823 0.20291284 0.31643052 1\n C C4 1 0.42446617 0.79908825 0.19080989 1\n C C5 1 0.68920257 0.16513482 0.59194211 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52668000\n_cell_length_b 4.71315000\n_cell_length_c 4.79039000\n_cell_angle_alpha 102.83610000\n_cell_angle_beta 63.37925000\n_cell_angle_gamma 78.09022000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.56194048\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20934709 0.15188329 0.25631886 1\n C C1 1 1.07322817 0.47395887 0.44884750 1\n C C2 1 0.90540915 1.02210071 0.52926607 1\n C C3 1 0.15547669 0.14204972 0.74528045 1\n C C4 1 -0.04098841 0.03236023 0.04029060 1\n C C5 1 0.19732642 0.67431513 0.98374987 1\n C C6 1 0.91648665 0.50080397 0.80193555 1\n C C7 1 1.04097445 0.70017106 0.33647931 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47965000\n_cell_length_b 6.42389000\n_cell_length_c 7.96676000\n_cell_angle_alpha 113.89687000\n_cell_angle_beta 98.91999000\n_cell_angle_gamma 84.35391000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 114.53179115\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26801731 0.50048028 0.61368790 1\n C C1 1 0.73612268 0.65316538 0.69153395 1\n C C2 1 0.27295319 0.51254921 0.99501465 1\n C C3 1 1.33606870 0.75840089 0.00718070 1\n C C4 1 0.51238916 0.88407513 0.22713141 1\n C C5 1 0.18442228 0.31953907 0.82320868 1\n C C6 1 0.80043333 0.47903808 0.09885824 1\n C C7 1 0.05472003 0.09349300 0.51892371 1\n C C8 1 0.55987959 0.79997305 0.58123592 1\n C C9 1 0.20101269 0.30267513 0.64977791 1\n C C10 1 0.05241099 0.94477369 0.62268177 1\n C C11 1 1.14833257 0.09433188 0.82771037 1\n C C12 1 -0.12632846 0.26585665 0.30144196 1\n C C13 1 0.35827837 0.64048156 0.38272806 1\n C C14 1 0.79923034 0.25276805 0.11169721 1\n C C15 1 0.77281162 0.66948263 0.28113173 1\n C C16 1 0.71773193 0.05689055 0.93016300 1\n C C17 1 -0.00392248 0.03215475 0.31506595 1\n C C18 1 0.78570417 0.80650106 0.91264653 1\n C C19 1 0.34344329 0.41285087 0.40186576 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45052000\n_cell_length_b 4.39300000\n_cell_length_c 6.62880000\n_cell_angle_alpha 77.77773000\n_cell_angle_beta 93.21262000\n_cell_angle_gamma 81.78816000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.75223464\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97564881 0.29076922 0.30266425 1\n C C1 1 0.79660059 0.54955359 0.84639550 1\n C C2 1 0.25887620 1.00946995 -0.04500643 1\n C C3 1 0.13636675 -0.07072855 0.33676599 1\n C C4 1 0.32619553 0.37771724 -0.03807038 1\n C C5 1 0.39488702 0.44205954 0.18313481 1\n C C6 1 -0.15293257 0.55006755 0.62310220 1\n C C7 1 1.02171882 0.27638096 0.54160433 1\n C C8 1 0.68259993 0.84353092 0.48019800 1\n C C9 1 0.59901407 0.07676256 0.61313855 1\n C C10 1 0.72516113 0.91651225 0.83965831 1\n C C11 1 0.26540782 0.79630305 0.15952598 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47576000\n_cell_length_b 4.79629000\n_cell_length_c 4.79382000\n_cell_angle_alpha 51.74002000\n_cell_angle_beta 89.98962000\n_cell_angle_gamma 90.01962000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.69726335\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54017493 0.67929695 0.52461315 1\n C C1 1 1.03996599 0.06599788 0.65012831 1\n C C2 1 0.54023563 0.30935016 0.89498220 1\n C C3 1 0.53968811 0.48812412 1.07289888 1\n C C4 1 1.04015069 0.10186595 0.94791908 1\n C C5 1 0.03960875 0.43541748 0.28064461 1\n C C6 1 1.04021562 0.73230470 0.31705436 1\n C C7 1 0.53985208 0.85822917 0.70268471 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48008000\n_cell_length_b 5.95815000\n_cell_length_c 5.47187000\n_cell_angle_alpha 62.68141000\n_cell_angle_beta 90.04562000\n_cell_angle_gamma 102.00402000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.84918637\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97214347 0.44973417 -0.00273591 1\n C C1 1 0.16723420 0.83502301 0.54965703 1\n C C2 1 0.26082363 0.02213310 0.24551452 1\n C C3 1 1.02840234 0.55393080 0.69004475 1\n C C4 1 0.45987836 0.41890386 0.39434252 1\n C C5 1 0.21750041 0.93815020 0.75407462 1\n C C6 1 0.40198159 0.30910156 0.16990545 1\n C C7 1 0.93459128 0.36586369 0.57356273 1\n C C8 1 0.09800247 0.69378657 0.01741878 1\n C C9 1 -0.26700607 0.96856298 0.12028240 1\n C C10 1 0.59847864 0.69360859 0.16968734 1\n C C11 1 0.78866139 1.07887167 0.78630476 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.54864000\n_cell_length_b 4.61289000\n_cell_length_c 7.50868000\n_cell_angle_alpha 90.17155000\n_cell_angle_beta 89.27757000\n_cell_angle_gamma 101.38283000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.53325944\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53358796 0.38118594 0.37361147 1\n C C1 1 0.00239749 0.44061844 1.09956463 1\n C C2 1 0.55100386 0.55662789 0.20533984 1\n C C3 1 0.55073193 0.47733511 0.54920974 1\n C C4 1 0.58083966 0.73069695 0.64097690 1\n C C5 1 -0.36941894 0.71114890 0.84342473 1\n C C6 1 0.81417150 0.00939787 0.91614809 1\n C C7 1 0.98294923 0.25079704 0.79122758 1\n C C8 1 0.82238582 0.09625035 0.08790424 1\n C C9 1 0.53656540 0.06377152 0.38131450 1\n C C10 1 0.06977898 0.53411307 0.90073261 1\n C C11 1 0.49277827 0.23436632 0.67379301 1\n C C12 1 0.49979189 0.98281151 0.55910049 1\n C C13 1 0.64297664 -0.10095212 0.22877786 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42560000\n_cell_length_b 4.21436000\n_cell_length_c 6.42534000\n_cell_angle_alpha 130.82350000\n_cell_angle_beta 112.18218000\n_cell_angle_gamma 89.99577000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.07693587\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40459126 0.52723144 0.98807708 1\n C C1 1 0.40130478 0.93471618 0.48482632 1\n C C2 1 0.34280655 0.52739943 0.42552288 1\n C C3 1 0.75274649 0.93464771 0.33589000 1\n C C4 1 -0.25153797 0.34319903 0.83246570 1\n C C5 1 0.81257891 0.34250760 0.39592683 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45978000\n_cell_length_b 3.39897000\n_cell_length_c 5.99696000\n_cell_angle_alpha 118.06475000\n_cell_angle_beta 78.17048000\n_cell_angle_gamma 111.17288000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.21923214\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17818199 0.64108438 0.49883266 1\n C C1 1 0.71848275 0.32230519 0.09603578 1\n C C2 1 0.58000972 0.57213660 0.62597389 1\n C C3 1 -0.24722703 0.11128779 0.82025881 1\n C C4 1 0.35149306 0.18094800 0.69321132 1\n C C5 1 0.20719552 0.42639404 0.22285295 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23095000\n_cell_length_b 4.20371000\n_cell_length_c 4.60328000\n_cell_angle_alpha 86.53762000\n_cell_angle_beta 97.82013000\n_cell_angle_gamma 61.18604000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.31632340\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87693256 0.81254100 0.27107571 1\n C C1 1 0.71015118 -0.09495049 0.49866880 1\n C C2 1 1.16246842 0.45058131 0.26595837 1\n C C3 1 0.43945826 0.71074521 0.85237559 1\n C C4 1 0.13825932 0.36044802 0.94989302 1\n C C5 1 -0.21865776 0.71213203 0.80046210 1\n C C6 1 0.14736690 1.00736477 -0.08261911 1\n C C7 1 0.80560364 0.00604633 0.96996050 1\n C C8 1 0.44838880 0.35788004 0.81855489 1\n C C9 1 0.42467339 0.26690589 0.50371683 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42974000\n_cell_length_b 2.43001000\n_cell_length_c 8.74639000\n_cell_angle_alpha 90.79253000\n_cell_angle_beta 105.01182000\n_cell_angle_gamma 59.99307000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.77805894\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22170570 1.22832091 0.37542926 1\n C C1 1 0.04910220 0.86840162 0.03870323 1\n C C2 1 0.62213247 0.03868512 0.70635115 1\n C C3 1 0.88838980 0.89490495 0.37536360 1\n C C4 1 0.95560530 0.37190937 0.70632717 1\n C C5 1 0.71679983 0.53441143 0.03929188 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48185000\n_cell_length_b 3.68776000\n_cell_length_c 4.89813000\n_cell_angle_alpha 113.09281000\n_cell_angle_beta 120.48878000\n_cell_angle_gamma 70.34885000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99871557\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10263428 0.59859711 0.80411337 1\n C C1 1 0.78770025 0.08444950 0.23240788 1\n C C2 1 1.06218410 0.68724715 0.30838069 1\n C C3 1 0.08594122 0.04449879 0.01060550 1\n C C4 1 0.77198597 0.53000310 0.43912891 1\n C C5 1 0.81113768 0.44216536 0.93476404 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48675000\n_cell_length_b 3.95422000\n_cell_length_c 6.25258000\n_cell_angle_alpha 66.82751000\n_cell_angle_beta 90.00066000\n_cell_angle_gamma 89.99247000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.52245089\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81982291 0.65624882 0.40283525 1\n C C1 1 0.81990544 0.90930601 0.00123542 1\n C C2 1 0.81999800 0.96563170 0.73983813 1\n C C3 1 0.31978356 0.14205346 1.00757521 1\n C C4 1 0.31970232 0.43299219 0.76164655 1\n C C5 1 0.81977115 0.36473169 0.64791239 1\n C C6 1 0.31984630 0.88902746 0.40930267 1\n C C7 1 0.32004267 0.83166413 0.67085551 1\n C C8 1 -0.18029567 0.51927363 0.20210955 1\n C C9 1 0.31971332 0.27890022 0.20848471 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49386000\n_cell_length_b 3.96059000\n_cell_length_c 6.06784000\n_cell_angle_alpha 89.94648000\n_cell_angle_beta 78.15082000\n_cell_angle_gamma 89.96276000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.65589358\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48375352 0.39235414 0.71676082 1\n C C1 1 0.80333714 0.40780535 0.08384255 1\n C C2 1 0.05523969 0.41564127 0.57302059 1\n C C3 1 0.05538204 0.99468655 0.57287333 1\n C C4 1 0.80333795 1.00227730 0.08356762 1\n C C5 1 0.36992803 0.89260500 0.95166626 1\n C C6 1 0.48397519 0.01709781 0.71659768 1\n C C7 1 0.13946386 0.70573684 0.40688014 1\n C C8 1 0.71203884 0.70561584 0.26379868 1\n C C9 1 0.36969615 0.51689160 0.95183201 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42907000\n_cell_length_b 3.25215000\n_cell_length_c 9.67970000\n_cell_angle_alpha 78.97993000\n_cell_angle_beta 89.00205000\n_cell_angle_gamma 77.58322000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.27869787\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22964472 0.44310798 0.64055686 1\n C C1 1 0.29705138 0.17180030 0.77298945 1\n C C2 1 0.63279665 0.84195593 0.44044814 1\n C C3 1 0.50239141 0.36951179 0.17267016 1\n C C4 1 0.43276526 0.64132344 0.04028232 1\n C C5 1 0.10136332 -0.02847803 0.37304349 1\n C C6 1 0.89788777 0.77501568 0.97344347 1\n C C7 1 0.83078262 0.03832179 0.83983054 1\n C C8 1 0.03653248 0.23497475 0.23940587 1\n C C9 1 0.69667551 0.57810107 0.57395450 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48679000\n_cell_length_b 2.48723000\n_cell_length_c 6.08910000\n_cell_angle_alpha 89.97830000\n_cell_angle_beta 90.02046000\n_cell_angle_gamma 120.02823000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60732311\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91034004 0.02281389 0.52427955 1\n C C1 1 0.57710689 0.35612709 0.60784328 1\n C C2 1 0.57829685 0.35579708 0.85761975 1\n C C3 1 0.24512897 0.68916609 0.94116312 1\n C C4 1 0.24477236 0.68957775 0.19092777 1\n C C5 1 0.91138730 0.02296550 0.27448343 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.21932000\n_cell_length_b 3.75023000\n_cell_length_c 4.87920000\n_cell_angle_alpha 87.39311000\n_cell_angle_beta 87.17317000\n_cell_angle_gamma 86.00169000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.64034916\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28059597 0.80684794 0.51918692 1\n C C1 1 0.05339893 0.30167321 0.75175228 1\n C C2 1 0.05426053 0.93776494 0.75162638 1\n C C3 1 0.83245105 0.43214513 0.98538162 1\n C C4 1 0.28241608 0.43383528 0.52008383 1\n C C5 1 0.42553708 0.12156373 0.36803415 1\n C C6 1 0.83033302 0.80528201 0.98480514 1\n C C7 1 0.68529164 0.11924565 0.13672936 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43373000\n_cell_length_b 3.49114000\n_cell_length_c 4.63672000\n_cell_angle_alpha 112.22707000\n_cell_angle_beta 93.25683000\n_cell_angle_gamma 85.28963000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.25925293\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26978493 0.51717788 0.15013685 1\n C C1 1 0.95782218 0.63937192 0.67211543 1\n C C2 1 0.01713618 0.72940281 1.01595107 1\n C C3 1 0.33036148 0.60571719 0.49341314 1\n C C4 1 0.75849286 1.05015170 0.17792807 1\n C C5 1 0.52657122 0.19431705 -0.01246673 1\n C C6 1 0.61478199 -0.02879178 0.66058995 1\n C C7 1 0.67345906 0.27369232 0.50511153 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.69710000\n_cell_length_b 4.38782000\n_cell_length_c 5.71338000\n_cell_angle_alpha 87.34992000\n_cell_angle_beta 122.66074000\n_cell_angle_gamma 124.37543000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.61068105\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70213999 0.58533523 0.18199991 1\n C C1 1 0.76309228 0.14499358 0.68218513 1\n C C2 1 1.29720471 0.98937771 0.37287530 1\n C C3 1 0.31968426 0.20267222 0.18155311 1\n C C4 1 0.35763761 0.54884754 0.87288503 1\n C C5 1 0.73927265 0.93137632 0.87316081 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43258000\n_cell_length_b 4.63881000\n_cell_length_c 3.99663000\n_cell_angle_alpha 95.82698000\n_cell_angle_beta 91.29042000\n_cell_angle_gamma 75.79363000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.49382676\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97884889 0.11099379 0.84474834 1\n C C1 1 0.31098836 0.44640806 0.51464530 1\n C C2 1 0.64481657 0.77877934 0.17967725 1\n C C3 1 0.09062339 0.88982162 0.06774638 1\n C C4 1 0.75688179 0.55707550 0.40193981 1\n C C5 1 0.42468911 0.22197869 0.73248793 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.65904000\n_cell_length_b 4.20173000\n_cell_length_c 5.55617000\n_cell_angle_alpha 90.00972000\n_cell_angle_beta 60.74978000\n_cell_angle_gamma 90.06617000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.16150421\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39290906 0.99511018 0.42622336 1\n C C1 1 0.64244766 0.49504570 0.17586888 1\n C C2 1 0.88996845 0.99500487 0.92606699 1\n C C3 1 0.14048584 0.16348085 0.67629721 1\n C C4 1 0.14042524 0.49508415 0.67633814 1\n C C5 1 -0.10995116 0.66350804 0.92598904 1\n C C6 1 0.64248028 0.16339076 0.17584064 1\n C C7 1 0.39300243 0.66335474 0.42611395 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45603000\n_cell_length_b 3.34517000\n_cell_length_c 7.68863000\n_cell_angle_alpha 95.42616000\n_cell_angle_beta 71.06942000\n_cell_angle_gamma 68.81516000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 54.08352593\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.79470829 0.39711028 0.10348722 1\n C C1 1 0.78413943 0.11173876 0.25655173 1\n C C2 1 0.11181166 0.15553525 0.90567280 1\n C C3 1 0.77080925 1.01606058 0.81794382 1\n C C4 1 1.07668723 0.34571783 0.34709813 1\n C C5 1 0.08728887 0.63145147 0.19461002 1\n C C6 1 0.10166957 0.72544264 0.63204544 1\n C C7 1 0.76020199 0.58658540 0.54435834 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48590000\n_cell_length_b 3.95408000\n_cell_length_c 5.93888000\n_cell_angle_alpha 75.43519000\n_cell_angle_beta 89.98496000\n_cell_angle_gamma 90.01072000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.49992549\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72977476 0.47789698 0.89436762 1\n C C1 1 0.23026039 0.69680242 0.36281203 1\n C C2 1 0.73036214 0.12544750 0.55745466 1\n C C3 1 0.22985967 0.68042365 0.82501192 1\n C C4 1 0.72978323 0.27422555 0.15583582 1\n C C5 1 0.23021471 0.88521401 0.56370576 1\n C C6 1 0.72995315 0.17033092 0.80357356 1\n C C7 1 0.73020878 0.46367090 0.35647402 1\n C C8 1 0.22955388 -0.01265473 0.91710789 1\n C C9 1 0.22957479 1.03391529 0.16225511 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26566000\n_cell_length_b 3.63519000\n_cell_length_c 3.28157000\n_cell_angle_alpha 75.35793000\n_cell_angle_beta 99.22784000\n_cell_angle_gamma 104.55953000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.28545653\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92627949 0.80976757 0.25754369 1\n C C1 1 0.65894843 0.42802409 0.20428210 1\n C C2 1 0.71506874 0.04669066 0.47003784 1\n C C3 1 0.34318105 0.42759848 0.88628410 1\n C C4 1 0.28784777 0.80926570 0.61800364 1\n C C5 1 0.07677752 0.04590850 0.83174642 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46236000\n_cell_length_b 4.94067000\n_cell_length_c 4.62065000\n_cell_angle_alpha 88.25948000\n_cell_angle_beta 99.60845000\n_cell_angle_gamma 87.40498000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.32697691\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28777789 0.09388066 0.57464918 1\n C C1 1 0.80002444 0.72597466 0.87844492 1\n C C2 1 0.89298053 0.86791456 0.17412515 1\n C C3 1 0.37786541 0.03871278 0.23299900 1\n C C4 1 0.77325806 0.26414807 0.63518482 1\n C C5 1 0.58790231 0.48019703 0.39278287 1\n C C6 1 0.86603817 0.40614201 -0.06934612 1\n C C7 1 0.07828043 0.65132829 0.41603156 1\n C C8 1 0.23865428 0.80484013 0.70004633 1\n C C9 1 0.42719478 0.32734190 0.10797848 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45205000\n_cell_length_b 4.91390000\n_cell_length_c 4.85956000\n_cell_angle_alpha 90.01614000\n_cell_angle_beta 89.94820000\n_cell_angle_gamma 90.09918000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.55334892\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24193485 0.59026441 0.59111559 1\n C C1 1 0.74140960 0.41829973 0.52318721 1\n C C2 1 0.23862931 1.05018954 0.76289265 1\n C C3 1 0.74056672 0.24760410 0.26215893 1\n C C4 1 0.23896689 0.88050450 1.00861051 1\n C C5 1 0.73979992 0.22748122 0.76241121 1\n C C6 1 0.73975512 0.41851072 0.00077256 1\n C C7 1 0.23978368 0.04462145 0.26261330 1\n C C8 1 0.23900443 0.88084418 0.51670730 1\n C C9 1 0.24075918 0.59013046 0.93351805 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23596000\n_cell_length_b 4.22263000\n_cell_length_c 7.37675000\n_cell_angle_alpha 90.45162000\n_cell_angle_beta 96.73014000\n_cell_angle_gamma 60.35860000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 113.69814863\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88200602 0.31142711 0.18578936 1\n C C1 1 0.69757660 0.06372099 0.50610326 1\n C C2 1 0.36314965 0.22674795 0.76762912 1\n C C3 1 0.52648497 0.64746635 0.17125040 1\n C C4 1 0.78691712 0.52230833 0.35579433 1\n C C5 1 0.16536346 0.31801414 0.09088531 1\n C C6 1 0.51760665 0.64961918 0.63665652 1\n C C7 1 0.19120127 0.80265156 0.90358308 1\n C C8 1 0.85560618 0.82702370 0.37317473 1\n C C9 1 0.68219535 0.40355676 0.50854286 1\n C C10 1 0.17634081 0.66904927 0.09046233 1\n C C11 1 0.25998976 1.10739521 0.92071743 1\n C C12 1 0.52554228 -0.01829129 0.63863651 1\n C C13 1 0.52091876 -0.01793633 0.10522486 1\n C C14 1 0.34749185 0.56674356 0.77005537 1\n C C15 1 0.87099777 0.96044550 0.18635431 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45163000\n_cell_length_b 4.55133000\n_cell_length_c 4.01903000\n_cell_angle_alpha 89.84199000\n_cell_angle_beta 89.97693000\n_cell_angle_gamma 105.69588000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.17263592\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04812138 0.39460143 0.18385922 1\n C C1 1 -0.11185812 0.07493873 0.06059855 1\n C C2 1 0.61799986 0.53344885 0.24475418 1\n C C3 1 0.77708821 0.85124092 0.37688135 1\n C C4 1 0.30430909 -0.09281331 0.56663431 1\n C C5 1 0.36001349 1.01722448 0.87201759 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46645000\n_cell_length_b 3.62742000\n_cell_length_c 6.70245000\n_cell_angle_alpha 96.06922000\n_cell_angle_beta 104.04686000\n_cell_angle_gamma 117.67998000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.82137806\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72338116 0.22710598 0.13540855 1\n C C1 1 0.36302675 1.01007860 0.42379966 1\n C C2 1 0.51873681 0.12952622 0.92501381 1\n C C3 1 0.66500961 0.73756778 0.42387444 1\n C C4 1 0.57733991 0.61958759 0.63664669 1\n C C5 1 -0.11043587 0.06532089 0.79601025 1\n C C6 1 0.35290338 0.29163159 0.26432408 1\n C C7 1 0.88034685 0.34706964 0.63685541 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43456000\n_cell_length_b 4.34926000\n_cell_length_c 4.88752000\n_cell_angle_alpha 92.21155000\n_cell_angle_beta 101.42530000\n_cell_angle_gamma 59.76647000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.71197493\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75202797 0.77990586 0.72643043 1\n C C1 1 0.86246122 0.55867319 0.50379985 1\n C C2 1 0.08552785 0.11322235 1.05961388 1\n C C3 1 0.19570715 -0.10793022 0.83720577 1\n C C4 1 0.41883945 0.44650384 0.39291438 1\n C C5 1 0.52904235 0.22530349 0.17052508 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48137000\n_cell_length_b 3.68779000\n_cell_length_c 4.22197000\n_cell_angle_alpha 104.91128000\n_cell_angle_beta 89.99766000\n_cell_angle_gamma 109.62881000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00500868\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76981474 0.30168021 0.23136808 1\n C C1 1 0.96709122 0.69838321 0.15511540 1\n C C2 1 0.22177813 0.21258742 0.72676319 1\n C C3 1 0.64361065 0.05622407 -0.14231776 1\n C C4 1 0.44719067 0.65867035 0.93345925 1\n C C5 1 0.19113000 0.14428724 0.36180575 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45651000\n_cell_length_b 6.27581000\n_cell_length_c 3.65447000\n_cell_angle_alpha 103.39205000\n_cell_angle_beta 70.44004000\n_cell_angle_gamma 89.88691000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.44996385\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14657355 0.92085407 -0.02071367 1\n C C1 1 0.15031155 0.17554021 0.97195729 1\n C C2 1 0.87294283 0.59930615 0.53146220 1\n C C3 1 0.43034385 0.49663333 0.41779531 1\n C C4 1 -0.07571078 0.97536170 0.42473163 1\n C C5 1 0.37330864 0.12116000 0.52628065 1\n C C6 1 0.76748142 0.83477994 0.73934544 1\n C C7 1 0.53168185 0.26124411 0.21137674 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.61244000\n_cell_length_b 3.64740000\n_cell_length_c 5.49992000\n_cell_angle_alpha 70.16078000\n_cell_angle_beta 118.50610000\n_cell_angle_gamma 90.83663000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.62584444\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.10886793 0.72592739 0.86015835 1\n C C1 1 0.19839933 0.45649683 0.16810609 1\n C C2 1 0.19837997 0.07179205 0.16801373 1\n C C3 1 0.38938628 0.66840869 0.35886402 1\n C C4 1 0.89121615 1.11046484 0.86038791 1\n C C5 1 0.70070279 0.51389811 0.66946381 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48444000\n_cell_length_b 4.67974000\n_cell_length_c 4.08629000\n_cell_angle_alpha 83.32754000\n_cell_angle_beta 89.99749000\n_cell_angle_gamma 74.56909000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.46291523\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28565671 0.94195696 0.13340702 1\n C C1 1 0.22566451 0.05834118 0.77788541 1\n C C2 1 0.95663333 0.59971294 0.83857508 1\n C C3 1 0.74207330 1.02779122 0.30398191 1\n C C4 1 1.06842372 0.37198765 0.59683487 1\n C C5 1 0.45602841 0.60129765 0.06550157 1\n C C6 1 -0.20151418 0.91362081 0.65979584 1\n C C7 1 0.57002121 0.36911458 0.37142488 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45451000\n_cell_length_b 3.39533000\n_cell_length_c 5.80187000\n_cell_angle_alpha 65.40344000\n_cell_angle_beta 77.96836000\n_cell_angle_gamma 69.10056000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.96961324\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26718926 0.86949650 0.01930611 1\n C C1 1 0.10527341 0.38508268 0.82784877 1\n C C2 1 0.23433385 0.64934086 0.29562744 1\n C C3 1 0.70768718 0.30634629 0.69744079 1\n C C4 1 0.87083125 0.78934233 0.88974451 1\n C C5 1 0.73037885 0.52961464 0.42165576 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68793000\n_cell_length_b 3.68927000\n_cell_length_c 4.83755000\n_cell_angle_alpha 68.52649000\n_cell_angle_beta 57.44549000\n_cell_angle_gamma 39.28160000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96712066\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90315873 0.54674541 0.82127041 1\n C C1 1 0.21746182 0.28956590 0.24990875 1\n C C2 1 0.23408721 0.51204871 0.45643873 1\n C C3 1 0.94319681 0.09038094 0.32560941 1\n C C4 1 0.19400855 0.96835441 0.95208843 1\n C C5 1 -0.08052012 0.76973623 0.02795407 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43729000\n_cell_length_b 4.68985000\n_cell_length_c 4.68822000\n_cell_angle_alpha 104.49562000\n_cell_angle_beta 105.08302000\n_cell_angle_gamma 105.14474000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.94281214\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46111667 0.74741718 0.68516054 1\n C C1 1 0.19401282 0.53498560 0.36125930 1\n C C2 1 0.53365225 0.62872673 0.94566599 1\n C C3 1 0.64649219 0.09147699 0.71525188 1\n C C4 1 0.53252420 0.32182539 0.25253740 1\n C C5 1 0.46057604 0.06120983 0.37108240 1\n C C6 1 0.19454221 0.73733693 0.15873778 1\n C C7 1 0.32424772 0.26850096 0.89230611 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43449000\n_cell_length_b 5.42792000\n_cell_length_c 6.83024000\n_cell_angle_alpha 74.89480000\n_cell_angle_beta 79.79152000\n_cell_angle_gamma 89.96229000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.65988367\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42059570 0.65652101 0.20958963 1\n C C1 1 0.01716103 0.19883438 0.01908924 1\n C C2 1 -0.12930892 0.58651666 0.31089652 1\n C C3 1 0.20252768 0.37989154 0.64922282 1\n C C4 1 0.71344897 0.75894229 0.62047311 1\n C C5 1 0.75699032 0.51786522 0.53892433 1\n C C6 1 0.05910891 0.97529286 0.92858121 1\n C C7 1 0.90129511 0.13649054 0.24316523 1\n C C8 1 0.17293622 0.09931602 0.70415746 1\n C C9 1 0.35213460 0.06613833 0.34432799 1\n C C10 1 1.09714119 0.44712543 0.86295813 1\n C C11 1 0.23987118 -0.07149961 0.56593175 1\n C C12 1 0.60335427 0.61700308 0.84916340 1\n C C13 1 0.53188084 0.79719914 -0.01286512 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42578000\n_cell_length_b 5.19660000\n_cell_length_c 6.11423000\n_cell_angle_alpha 66.29504000\n_cell_angle_beta 79.07644000\n_cell_angle_gamma 54.72341000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.51899449\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.09944289 0.23559836 0.38522517 1\n C C1 1 0.23382594 0.40261434 0.30238659 1\n C C2 1 1.23561135 0.90255459 1.05184609 1\n C C3 1 0.23407529 0.40238641 0.80196450 1\n C C4 1 0.90048431 0.23551717 -0.11493508 1\n C C5 1 0.90149416 0.73594914 0.13567709 1\n C C6 1 0.23624537 0.90229014 0.55146744 1\n C C7 1 -0.09774394 0.73561295 0.63508611 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55322000\n_cell_length_b 4.56870000\n_cell_length_c 5.24894000\n_cell_angle_alpha 70.40186000\n_cell_angle_beta 60.63039000\n_cell_angle_gamma 75.32056000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.97212258\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00747802 0.66023790 0.86734218 1\n C C1 1 0.82652790 0.16166824 0.30490387 1\n C C2 1 0.97407858 0.81315439 0.33153430 1\n C C3 1 0.37204001 0.65585975 0.50524949 1\n C C4 1 0.51914717 0.30766944 0.53201547 1\n C C5 1 0.32071884 0.14204062 0.82276039 1\n C C6 1 1.02525769 0.32736171 0.01411833 1\n C C7 1 0.33908480 0.80923426 0.96927206 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44092000\n_cell_length_b 2.54838000\n_cell_length_c 6.49137000\n_cell_angle_alpha 100.97535000\n_cell_angle_beta 90.19912000\n_cell_angle_gamma 89.06469000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.63501737\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02020665 0.68043142 0.83281967 1\n C C1 1 0.52118523 0.51068410 0.49542214 1\n C C2 1 0.01990125 0.79199302 0.05430664 1\n C C3 1 0.52079444 0.62540969 0.72538539 1\n C C4 1 0.52103284 0.96046379 0.39197635 1\n C C5 1 0.51948589 0.84661459 0.16257770 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47707000\n_cell_length_b 5.19665000\n_cell_length_c 6.49944000\n_cell_angle_alpha 98.48190000\n_cell_angle_beta 75.44347000\n_cell_angle_gamma 94.64022000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.00854373\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04849609 0.70238235 0.67004946 1\n C C1 1 0.34175845 0.22105353 0.15944890 1\n C C2 1 0.70449886 0.86495702 0.32921798 1\n C C3 1 0.33788316 0.50286743 0.07896865 1\n C C4 1 0.61764953 0.28128324 0.50607500 1\n C C5 1 0.36600286 0.38958169 0.85235601 1\n C C6 1 0.00542140 0.85364352 0.92140785 1\n C C7 1 0.75902023 0.16867173 0.27855808 1\n C C8 1 0.53603238 0.02351946 0.95185461 1\n C C9 1 0.84112776 0.67474890 0.11403541 1\n C C10 1 0.11819989 0.86952011 0.47735783 1\n C C11 1 0.04460671 0.14946596 0.58080318 1\n C C12 1 -0.16264259 0.22090642 0.81202118 1\n C C13 1 0.52867716 0.53817104 0.66008706 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43109000\n_cell_length_b 4.20467000\n_cell_length_c 6.89210000\n_cell_angle_alpha 125.88892000\n_cell_angle_beta 92.38375000\n_cell_angle_gamma 89.74185000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.00929960\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12658756 0.03193981 0.16708454 1\n C C1 1 0.37341303 0.53195971 0.16709358 1\n C C2 1 0.87262784 0.36524417 0.16760654 1\n C C3 1 0.03105606 -0.17843518 0.66699643 1\n C C4 1 0.37263019 0.86524934 0.16760482 1\n C C5 1 0.03027260 1.15485020 0.66747645 1\n C C6 1 0.53026694 0.65484039 0.66749115 1\n C C7 1 0.53105750 0.32157366 0.66697239 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44341000\n_cell_length_b 4.02238000\n_cell_length_c 3.91361000\n_cell_angle_alpha 74.81307000\n_cell_angle_beta 81.78393000\n_cell_angle_gamma 57.55613000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.14780647\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50503823 0.36931604 0.73685810 1\n C C1 1 0.44826957 0.92968951 0.23799638 1\n C C2 1 0.88591706 -0.01291348 0.73703484 1\n C C3 1 0.29063688 0.77317891 0.54548224 1\n C C4 1 0.85293367 0.71572283 0.04653609 1\n C C5 1 0.23438909 0.33378139 0.04693164 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.90368000\n_cell_length_b 3.61761000\n_cell_length_c 4.77877000\n_cell_angle_alpha 105.61280000\n_cell_angle_beta 106.87977000\n_cell_angle_gamma 100.05697000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.48878891\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37851917 0.27429295 0.80473111 1\n C C1 1 0.68547720 0.30918283 0.11430795 1\n C C2 1 0.18809863 0.87079791 0.61355315 1\n C C3 1 -0.12433195 0.71267977 0.30529604 1\n C C4 1 0.68533884 0.92801595 0.11369518 1\n C C5 1 0.37805570 0.65500858 0.80487767 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50540000\n_cell_length_b 6.69665000\n_cell_length_c 5.05578000\n_cell_angle_alpha 70.99802000\n_cell_angle_beta 58.47693000\n_cell_angle_gamma 86.04365000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.82545608\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59930450 0.84183826 0.04492250 1\n C C1 1 0.85086448 0.27237529 0.57326426 1\n C C2 1 0.46010424 0.61127937 0.11214646 1\n C C3 1 0.75873073 -0.05744643 0.49294452 1\n C C4 1 0.78416599 0.25799953 1.07835549 1\n C C5 1 0.06383573 0.18269749 0.29383000 1\n C C6 1 0.35243457 0.83641583 0.41350142 1\n C C7 1 0.29649891 0.59557677 0.58488231 1\n C C8 1 0.26882542 0.94705717 0.85213503 1\n C C9 1 0.86418254 0.49885785 0.94111515 1\n C C10 1 0.95702368 0.51245022 0.45897496 1\n C C11 1 0.16746022 0.18380274 0.78288401 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49351000\n_cell_length_b 3.82711000\n_cell_length_c 7.11575000\n_cell_angle_alpha 95.99931000\n_cell_angle_beta 110.54989000\n_cell_angle_gamma 109.04300000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.23481302\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02198852 0.30963269 0.87045526 1\n C C1 1 0.66540333 0.03360095 0.65166472 1\n C C2 1 0.65914628 0.57328949 0.87660938 1\n C C3 1 0.68400306 1.07448953 0.14968143 1\n C C4 1 0.03369259 0.04782080 0.51391020 1\n C C5 1 1.19528347 0.41844716 0.48983001 1\n C C6 1 1.04087141 0.50901915 0.28911378 1\n C C7 1 0.67864601 0.77287290 0.29528521 1\n C C8 1 0.50354250 0.66382130 0.67609314 1\n C C9 1 0.01736183 0.00848443 0.01633347 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45712000\n_cell_length_b 2.53269000\n_cell_length_c 6.42118000\n_cell_angle_alpha 81.42745000\n_cell_angle_beta 89.89600000\n_cell_angle_gamma 89.52923000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.51201928\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05224314 0.71591628 0.26814291 1\n C C1 1 0.44833177 0.01979009 0.70930468 1\n C C2 1 0.44774832 0.90980040 0.94030165 1\n C C3 1 0.44765952 0.65742020 0.37486301 1\n C C4 1 -0.05230985 0.84494269 0.04663652 1\n C C5 1 0.44842318 0.55801944 0.60576233 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23350000\n_cell_length_b 4.23566000\n_cell_length_c 3.27403000\n_cell_angle_alpha 123.97675000\n_cell_angle_beta 84.72539000\n_cell_angle_gamma 60.15320000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.20974438\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01815118 0.88638483 0.29883830 1\n C C1 1 0.64664548 0.63930838 0.46775108 1\n C C2 1 0.07308184 0.45001266 0.13009010 1\n C C3 1 0.70155915 0.20294892 0.29883345 1\n C C4 1 0.28568037 0.00034898 0.46769342 1\n C C5 1 0.43397279 1.08898802 0.13007806 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43077000\n_cell_length_b 6.02453000\n_cell_length_c 6.62523000\n_cell_angle_alpha 104.36715000\n_cell_angle_beta 87.22888000\n_cell_angle_gamma 110.93865000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.69338821\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27223011 0.08005509 0.38177416 1\n C C1 1 0.60781183 0.34268532 0.35999121 1\n C C2 1 0.70953959 0.11315297 0.71632552 1\n C C3 1 1.21697574 0.13705356 0.82357903 1\n C C4 1 0.16568086 0.35883789 0.21724564 1\n C C5 1 0.35785578 0.61689311 0.22006299 1\n C C6 1 0.37810746 0.66489742 0.85447526 1\n C C7 1 0.83614644 0.60351730 0.52093066 1\n C C8 1 0.46753538 0.77882186 1.08200776 1\n C C9 1 1.11530576 0.94920657 0.14085382 1\n C C10 1 0.45088374 0.72520647 0.44797575 1\n C C11 1 1.18236944 0.15514721 0.04331699 1\n C C12 1 0.68452494 1.00719528 0.48788767 1\n C C13 1 -0.14573747 0.63188225 0.74891684 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48818000\n_cell_length_b 4.30517000\n_cell_length_c 4.30657000\n_cell_angle_alpha 80.40562000\n_cell_angle_beta 73.23085000\n_cell_angle_gamma 89.99576000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.49617273\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14872721 0.69615762 0.72271621 1\n C C1 1 0.71151929 0.88403853 0.59744514 1\n C C2 1 0.89872721 0.94615762 0.22271621 1\n C C3 1 0.39872721 0.44615762 0.22271621 1\n C C4 1 0.21151929 0.38403853 0.59744514 1\n C C5 1 0.64872721 0.19615762 0.72271621 1\n C C6 1 0.96151929 0.63403853 1.09744514 1\n C C7 1 0.46151929 0.13403853 0.09744514 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.63071000\n_cell_length_b 3.41085000\n_cell_length_c 4.82169000\n_cell_angle_alpha 69.36524000\n_cell_angle_beta 53.18195000\n_cell_angle_gamma 71.71783000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.31375574\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02949575 0.98504296 1.01548139 1\n C C1 1 1.02980807 0.48383234 0.51529414 1\n C C2 1 0.75591843 0.17764035 0.82321289 1\n C C3 1 0.81522224 0.67642973 0.32302564 1\n C C4 1 0.37425282 1.17771521 0.82437128 1\n C C5 1 0.41147367 0.48375748 0.51413576 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47791000\n_cell_length_b 2.47766000\n_cell_length_c 6.31103000\n_cell_angle_alpha 78.67320000\n_cell_angle_beta 78.67347000\n_cell_angle_gamma 59.98089000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.67465208\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.05772179 0.65113682 0.28369213 1\n C C1 1 0.19883522 0.79074037 0.86488542 1\n C C2 1 0.75238679 0.34630314 0.20029244 1\n C C3 1 -0.02436540 0.56720471 0.53077045 1\n C C4 1 0.28169053 0.87280076 0.61388880 1\n C C5 1 0.83722598 0.42997950 0.94917166 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.19407000\n_cell_length_b 4.25900000\n_cell_length_c 5.97291000\n_cell_angle_alpha 111.97113000\n_cell_angle_beta 87.55083000\n_cell_angle_gamma 106.00231000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.26523344\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64700475 0.73351145 0.43308303 1\n C C1 1 0.63618961 0.15941244 0.87559211 1\n C C2 1 1.15536610 0.26581186 0.45632653 1\n C C3 1 0.42745316 0.38720964 0.30405919 1\n C C4 1 0.95762014 0.49203755 0.88660443 1\n C C5 1 0.18680463 0.52564151 0.68619664 1\n C C6 1 0.51092389 0.83789126 0.67560891 1\n C C7 1 -0.05825096 -0.08205172 0.32755236 1\n C C8 1 0.08182846 0.81387649 0.08613478 1\n C C9 1 0.40231843 0.12656973 0.07525082 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42874000\n_cell_length_b 4.16201000\n_cell_length_c 7.51566000\n_cell_angle_alpha 94.38398000\n_cell_angle_beta 108.83394000\n_cell_angle_gamma 90.09206000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.66575067\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19379543 0.29170303 0.79076250 1\n C C1 1 0.98410623 0.28826185 1.08634926 1\n C C2 1 0.40950857 0.06088117 0.50852998 1\n C C3 1 0.78636294 0.15860199 0.88412288 1\n C C4 1 0.22643140 0.64580371 0.82428661 1\n C C5 1 0.74873012 0.80428554 0.84720220 1\n C C6 1 0.98968486 0.16525540 0.58918517 1\n C C7 1 0.56336606 0.39679310 0.16597111 1\n C C8 1 0.26959643 0.80205154 0.36640753 1\n C C9 1 0.70922156 0.65839076 0.30698224 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49165000\n_cell_length_b 4.07412000\n_cell_length_c 7.09245000\n_cell_angle_alpha 84.16707000\n_cell_angle_beta 100.12088000\n_cell_angle_gamma 90.01712000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.49881209\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.12196682 0.35114216 0.58617797 1\n C C1 1 0.62908725 0.46328705 0.08448207 1\n C C2 1 0.52879220 0.35210213 0.88412781 1\n C C3 1 0.69906483 0.15622291 0.22096398 1\n C C4 1 1.19479871 0.94017080 0.21219864 1\n C C5 1 1.01138316 0.83534820 0.84937244 1\n C C6 1 0.80716071 0.09450627 0.44748704 1\n C C7 1 0.37262341 0.57301189 0.57497633 1\n C C8 1 0.47315353 0.68311319 0.77530239 1\n C C9 1 0.12391598 0.68385117 0.07362113 1\n C C10 1 0.30248750 0.87942134 0.43821764 1\n C C11 1 0.99118204 0.19902348 0.81092406 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47980000\n_cell_length_b 6.02744000\n_cell_length_c 7.39219000\n_cell_angle_alpha 80.12183000\n_cell_angle_beta 80.36795000\n_cell_angle_gamma 78.15590000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 105.52967986\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53693529 0.47126515 0.20970306 1\n C C1 1 0.23243698 0.52311536 0.76552030 1\n C C2 1 0.66166203 0.22696223 0.20080270 1\n C C3 1 0.20339844 0.39920911 0.94725087 1\n C C4 1 0.72286756 0.77654615 0.52479241 1\n C C5 1 0.47321047 -0.01455170 0.80849734 1\n C C6 1 0.76959081 0.55262369 0.66257619 1\n C C7 1 0.90059927 0.83148236 0.10998282 1\n C C8 1 0.56797386 0.00916927 0.59902903 1\n C C9 1 1.05222593 0.13259313 0.50940599 1\n C C10 1 0.75469775 0.24989250 0.99245397 1\n C C11 1 0.93070760 0.39168800 0.50392335 1\n C C12 1 -0.09162839 0.01004499 0.91494073 1\n C C13 1 0.43014477 0.49120755 0.40541675 1\n C C14 1 0.31949378 0.87979990 0.22467233 1\n C C15 1 0.17386177 0.11604424 0.28663004 1\n C C16 1 0.29630629 0.74073599 0.41392106 1\n C C17 1 1.03851909 0.56730339 0.10861326 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23941000\n_cell_length_b 4.38467000\n_cell_length_c 4.85801000\n_cell_angle_alpha 100.55396000\n_cell_angle_beta 120.29564000\n_cell_angle_gamma 101.03512000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.23990811\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00912241 0.61299681 0.30461619 1\n C C1 1 0.36441642 0.83540643 0.87458317 1\n C C2 1 0.50089787 0.58999014 0.77073951 1\n C C3 1 0.28174896 0.46049714 0.42467041 1\n C C4 1 0.92654808 0.23876373 0.85388036 1\n C C5 1 0.48374876 1.03056973 0.19827125 1\n C C6 1 0.04189441 0.84495562 0.56432715 1\n C C7 1 0.78904723 0.48337464 -0.04150154 1\n C C8 1 1.24914917 0.22942199 0.16405629 1\n C C9 1 -0.19345520 0.04306268 0.52982092 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42704000\n_cell_length_b 5.77146000\n_cell_length_c 4.23080000\n_cell_angle_alpha 47.00613000\n_cell_angle_beta 89.95826000\n_cell_angle_gamma 89.93544000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34665922\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57316027 0.87698866 0.89438189 1\n C C1 1 0.57310633 0.28902924 0.89310431 1\n C C2 1 1.07327708 0.71985515 0.03174214 1\n C C3 1 0.07300596 0.30887068 0.03030174 1\n C C4 1 0.57315284 0.22757996 0.60384707 1\n C C5 1 0.07314583 0.36933432 0.32030505 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68633000\n_cell_length_b 4.80174000\n_cell_length_c 4.93323000\n_cell_angle_alpha 67.82995000\n_cell_angle_beta 114.15985000\n_cell_angle_gamma 115.56261000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.70388015\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45653546 0.16884490 0.55686557 1\n C C1 1 0.15500352 0.70136977 0.90553710 1\n C C2 1 0.59063565 0.68473728 0.11544808 1\n C C3 1 0.23647331 1.06482827 0.79390819 1\n C C4 1 0.90484150 0.17961122 0.77196906 1\n C C5 1 0.22555131 0.64539408 0.42047250 1\n C C6 1 0.30514472 0.00851207 0.30811791 1\n C C7 1 1.00558826 0.54150476 0.65703370 1\n C C8 1 0.86919450 1.02473257 0.09812908 1\n C C9 1 0.55692558 0.53067153 0.44175720 1\n C C10 1 -0.14091873 0.53015132 0.11047724 1\n C C11 1 0.60057641 1.17943174 0.10270886 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46002000\n_cell_length_b 4.54465000\n_cell_length_c 6.68180000\n_cell_angle_alpha 105.83718000\n_cell_angle_beta 90.00301000\n_cell_angle_gamma 105.69322000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.96712758\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48826242 0.40759423 0.24833758 1\n C C1 1 0.06984920 0.56819586 0.37423867 1\n C C2 1 0.61707016 0.65960201 0.94061533 1\n C C3 1 0.48207006 0.39508272 1.02275134 1\n C C4 1 0.26027400 -0.05650308 0.41666129 1\n C C5 1 0.31344390 0.05729370 0.22900961 1\n C C6 1 0.60076495 0.62080754 0.70294360 1\n C C7 1 0.83613684 0.09452694 0.54421932 1\n C C8 1 0.21844147 0.86501477 0.01261514 1\n C C9 1 0.78274985 0.98965741 0.73858183 1\n C C10 1 1.02533350 0.47004826 0.58303754 1\n C C11 1 0.32795765 0.08419845 0.87606875 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42701000\n_cell_length_b 4.17018000\n_cell_length_c 7.40098000\n_cell_angle_alpha 86.58979000\n_cell_angle_beta 109.05924000\n_cell_angle_gamma 89.86848000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.65550002\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19377133 0.15933138 0.80015102 1\n C C1 1 0.98644060 0.28870110 0.59612935 1\n C C2 1 0.77091664 0.04545893 0.87767824 1\n C C3 1 0.39133598 0.15263953 0.50039250 1\n C C4 1 -0.04700755 0.64151951 0.56068719 1\n C C5 1 -0.09545451 0.77984665 1.01345274 1\n C C6 1 0.46145864 0.63370985 0.06993662 1\n C C7 1 0.18956759 0.27650184 0.29536301 1\n C C8 1 0.43134683 0.79943748 0.53793775 1\n C C9 1 0.60869654 0.37886922 0.21370278 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51361000\n_cell_length_b 6.33743000\n_cell_length_c 4.79356000\n_cell_angle_alpha 105.43514000\n_cell_angle_beta 105.21347000\n_cell_angle_gamma 113.28420000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.50853288\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31518525 0.26723533 0.53567215 1\n C C1 1 0.68370256 0.92525190 0.95610995 1\n C C2 1 0.20429995 0.01123541 0.82764334 1\n C C3 1 0.24105935 0.45969977 1.00282036 1\n C C4 1 0.50405668 0.28954571 0.86982881 1\n C C5 1 0.56638546 0.61596114 0.34209005 1\n C C6 1 0.60543350 0.52944101 0.59154393 1\n C C7 1 0.88527754 0.87153575 0.46933109 1\n C C8 1 -0.03869484 1.02699038 0.30827324 1\n C C9 1 0.31400245 0.63046869 0.80740207 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48767000\n_cell_length_b 4.30433000\n_cell_length_c 4.30387000\n_cell_angle_alpha 70.52531000\n_cell_angle_beta 89.99181000\n_cell_angle_gamma 89.99873000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.44821205\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31625179 0.29409337 0.63199725 1\n C C1 1 0.31625179 0.66909584 0.50699973 1\n C C2 1 0.31625179 0.79409337 0.13199725 1\n C C3 1 0.81625179 0.16909584 0.50699973 1\n C C4 1 0.81625179 0.79409337 0.63199725 1\n C C5 1 0.81625179 0.66909584 1.00699973 1\n C C6 1 0.81625179 0.29409337 0.13199725 1\n C C7 1 0.31625179 0.16909584 0.00699973 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.21819000\n_cell_length_b 2.48008000\n_cell_length_c 3.68881000\n_cell_angle_alpha 109.65922000\n_cell_angle_beta 104.82317000\n_cell_angle_gamma 89.99971000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97410714\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11913264 0.28402745 0.83198485 1\n C C1 1 0.19431830 0.08436375 0.43380489 1\n C C2 1 0.69069585 0.54098888 0.34802574 1\n C C3 1 0.89739721 0.76486799 0.79371496 1\n C C4 1 0.82145581 0.96228522 0.19086531 1\n C C5 1 0.32552870 0.50648521 0.27762755 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45973000\n_cell_length_b 4.67136000\n_cell_length_c 4.71694000\n_cell_angle_alpha 112.66654000\n_cell_angle_beta 91.59961000\n_cell_angle_gamma 120.43991000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.21436407\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18516721 1.00236748 0.64257726 1\n C C1 1 0.70760615 0.49765432 0.16461345 1\n C C2 1 1.02419650 0.13102216 0.48174360 1\n C C3 1 0.15841175 0.49907435 0.61721476 1\n C C4 1 0.71398489 0.81545485 0.17059410 1\n C C5 1 0.46771223 0.81452820 0.92927248 1\n C C6 1 -0.00233334 0.62832526 0.45701298 1\n C C7 1 0.47427170 0.13232667 -0.06484083 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.50517000\n_cell_length_b 4.63651000\n_cell_length_c 10.88589000\n_cell_angle_alpha 82.30649000\n_cell_angle_beta 89.97726000\n_cell_angle_gamma 70.09681000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 164.65628365\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53924897 0.79979051 0.69243662 1\n C C1 1 1.02625727 0.24965959 0.19586434 1\n C C2 1 0.01891582 0.55825739 0.20531214 1\n C C3 1 -0.09233623 1.06295832 0.28702455 1\n C C4 1 0.22015692 -0.08893051 1.02628464 1\n C C5 1 0.29905334 0.37969551 0.78981918 1\n C C6 1 0.74953151 0.16633127 0.39788685 1\n C C7 1 0.69929724 0.14689091 0.81802877 1\n C C8 1 -0.46672623 0.34735480 0.58065381 1\n C C9 1 0.68962430 0.82414773 0.82639253 1\n C C10 1 1.06989973 0.15579483 0.81247931 1\n C C11 1 -0.34877321 0.94006229 0.47357110 1\n C C12 1 0.41829986 0.53850176 0.67309183 1\n C C13 1 0.74276200 0.68264162 0.41335524 1\n C C14 1 0.13880556 0.18672624 0.07194489 1\n C C15 1 1.15011486 0.45788518 1.00574562 1\n C C16 1 1.31175360 -0.14151645 0.89349372 1\n C C17 1 1.12717067 0.60787153 0.87800280 1\n C C18 1 0.67949156 0.41745501 0.46082502 1\n C C19 1 0.55349987 1.02207756 0.59158010 1\n C C20 1 -0.09921546 0.74982062 0.29540951 1\n C C21 1 0.13436135 0.66439440 0.08729744 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41650000\n_cell_length_b 3.41414000\n_cell_length_c 5.42881000\n_cell_angle_alpha 62.94836000\n_cell_angle_beta 62.89605000\n_cell_angle_gamma 74.86359000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.08649716\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76892875 0.57722784 0.96216960 1\n C C1 1 0.26889447 0.07730997 0.46222421 1\n C C2 1 0.64685986 0.87065340 0.54783796 1\n C C3 1 -0.18894901 1.03468287 0.71236155 1\n C C4 1 0.31114884 0.53485277 0.21213918 1\n C C5 1 0.14673515 0.37054982 1.04806746 1\n C C6 1 0.10477606 0.91303391 0.29791409 1\n C C7 1 0.60474048 0.41307471 0.79788096 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47573000\n_cell_length_b 4.18439000\n_cell_length_c 4.79173000\n_cell_angle_alpha 64.14263000\n_cell_angle_beta 89.99769000\n_cell_angle_gamma 89.98858000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.66975627\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03741300 0.63159044 0.07477745 1\n C C1 1 -0.03729994 0.29805094 0.74091901 1\n C C2 1 0.46263535 0.87507725 0.58618002 1\n C C3 1 -0.03728458 0.66824412 0.74074080 1\n C C4 1 0.46266053 0.05440525 0.22914948 1\n C C5 1 0.46266463 0.42437238 0.22978520 1\n C C6 1 0.46274514 0.24495138 0.58667195 1\n C C7 1 0.96272786 0.00172105 0.07406780 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42400000\n_cell_length_b 4.20958000\n_cell_length_c 4.85105000\n_cell_angle_alpha 90.81567000\n_cell_angle_beta 60.25816000\n_cell_angle_gamma 90.27240000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.97502351\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03775236 0.26347809 0.42840153 1\n C C1 1 0.30891994 0.32231904 1.08086089 1\n C C2 1 0.90563733 0.91599914 0.48813854 1\n C C3 1 0.96421421 0.35253185 0.92566169 1\n C C4 1 0.31403378 0.41312764 0.57815438 1\n C C5 1 0.37507920 0.76085534 0.51806657 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.09470000\n_cell_length_b 4.57296000\n_cell_length_c 4.85022000\n_cell_angle_alpha 104.65918000\n_cell_angle_beta 114.10269000\n_cell_angle_gamma 104.21706000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 55.68338934\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62356914 0.26853708 0.49885378 1\n C C1 1 0.29341703 -0.06565447 0.33306742 1\n C C2 1 0.79202708 0.43443072 0.33273371 1\n C C3 1 0.79202708 0.43443072 0.83273371 1\n C C4 1 0.29341703 0.93434553 0.83306742 1\n C C5 1 0.12152840 0.76871247 0.49855899 1\n C C6 1 0.12152840 0.76871247 0.99855899 1\n C C7 1 0.62356914 0.26853708 0.99885378 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.21702000\n_cell_length_b 5.29089000\n_cell_length_c 4.97835000\n_cell_angle_alpha 75.77364000\n_cell_angle_beta 89.98815000\n_cell_angle_gamma 66.49557000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 98.13656853\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50126215 0.84346681 -0.00193128 1\n C C1 1 0.36122172 0.16708254 0.39375572 1\n C C2 1 0.07197939 0.69625759 0.28238438 1\n C C3 1 0.71485607 0.41651202 0.44798825 1\n C C4 1 -0.13645714 0.84347431 0.99805949 1\n C C5 1 -0.02290658 -0.10489097 0.47527402 1\n C C6 1 0.59093434 0.39382172 0.75303172 1\n C C7 1 0.33650034 -0.10480252 0.47516449 1\n C C8 1 1.07716747 0.41662265 0.44806254 1\n C C9 1 0.22384758 0.39377398 0.75312064 1\n C C10 1 0.87449429 0.13707150 0.92974988 1\n C C11 1 0.19662415 0.13713278 0.92984029 1\n C C12 1 0.43328871 0.70742831 0.78135250 1\n C C13 1 0.06780541 0.70740090 0.78141553 1\n C C14 1 0.68043810 0.16689922 0.39385043 1\n C C15 1 0.44012660 0.69619396 0.28231341 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.55488000\n_cell_length_b 4.60861000\n_cell_length_c 4.57550000\n_cell_angle_alpha 103.94169000\n_cell_angle_beta 90.26301000\n_cell_angle_gamma 73.61466000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.04702184\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59881841 0.94741030 0.22887832 1\n C C1 1 0.35141218 0.44573241 0.66568772 1\n C C2 1 0.51670979 0.11343171 0.52001679 1\n C C3 1 0.60870483 0.92772566 0.71125052 1\n C C4 1 0.77324060 0.59968058 0.20185833 1\n C C5 1 0.35333437 0.44180863 0.02746318 1\n C C6 1 0.52655202 0.09429056 0.00236809 1\n C C7 1 0.77478620 0.59552606 0.56435285 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45110000\n_cell_length_b 6.41456000\n_cell_length_c 6.20211000\n_cell_angle_alpha 86.49165000\n_cell_angle_beta 113.59779000\n_cell_angle_gamma 101.00486000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 87.70398320\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.22836909 0.86675568 0.25110785 1\n C C1 1 0.55214883 0.95025435 0.99304316 1\n C C2 1 0.51486659 0.63243085 0.61039691 1\n C C3 1 0.33475727 0.52504973 -0.01454095 1\n C C4 1 0.45182534 0.95250993 0.38701824 1\n C C5 1 0.23217688 0.52624236 0.38043343 1\n C C6 1 0.89036027 0.86048558 0.87715057 1\n C C7 1 0.18978589 0.29032896 0.95856950 1\n C C8 1 0.62598178 0.84936390 0.61456380 1\n C C9 1 0.64009056 0.18451922 0.96273951 1\n C C10 1 1.14191335 0.29218625 0.40774252 1\n C C11 1 0.63868296 0.60999760 0.24653793 1\n C C12 1 0.59439651 0.18815636 0.41195710 1\n C C13 1 0.76479356 0.61458543 0.87179574 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43003000\n_cell_length_b 5.01731000\n_cell_length_c 6.91280000\n_cell_angle_alpha 82.54964000\n_cell_angle_beta 90.05391000\n_cell_angle_gamma 89.96133000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 83.57072439\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15417035 0.83708257 0.43387457 1\n C C1 1 0.65425618 0.23263942 0.26029292 1\n C C2 1 0.65373427 -0.06908578 0.31037267 1\n C C3 1 0.65313239 0.76029309 0.14226888 1\n C C4 1 0.15467077 -0.05654505 0.62265236 1\n C C5 1 0.65447400 0.40309313 0.42832129 1\n C C6 1 1.15402498 0.32638478 0.13631769 1\n C C7 1 0.65477968 0.01252394 0.70155055 1\n C C8 1 0.15482657 0.22037526 -0.05195753 1\n C C9 1 0.65484526 0.15089535 0.86965507 1\n C C10 1 0.15432861 0.53266920 0.45710102 1\n C C11 1 1.15321975 0.63043502 0.11390431 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.47627000\n_cell_length_b 4.23557000\n_cell_length_c 3.88943000\n_cell_angle_alpha 95.80707000\n_cell_angle_beta 101.92241000\n_cell_angle_gamma 126.28345000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 55.77837328\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66547130 0.81543010 0.14679191 1\n C C1 1 0.23079112 0.10470296 -0.09677339 1\n C C2 1 0.41117381 0.02859244 0.62558270 1\n C C3 1 0.48847366 0.22616308 0.30731523 1\n C C4 1 0.85026600 0.37861578 -0.09753048 1\n C C5 1 0.84632469 0.73982152 0.87018567 1\n C C6 1 0.24650834 0.57907727 0.52827407 1\n C C7 1 0.58909654 0.61859077 0.46624967 1\n C C8 1 0.22647262 0.46546943 0.87022417 1\n C C9 1 0.82998311 0.26464644 0.24376656 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45686000\n_cell_length_b 3.40902000\n_cell_length_c 5.85821000\n_cell_angle_alpha 106.32872000\n_cell_angle_beta 101.99547000\n_cell_angle_gamma 111.31776000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.14224195\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.74637157 1.02318393 0.03363578 1\n C C1 1 0.38848663 0.50036569 0.84089399 1\n C C2 1 0.86495615 0.57852685 0.71275281 1\n C C3 1 0.61616389 0.35896226 0.43618708 1\n C C4 1 0.22106161 1.10011954 0.90474630 1\n C C5 1 -0.00477625 0.24294322 0.31019884 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47456000\n_cell_length_b 4.43666000\n_cell_length_c 6.06293000\n_cell_angle_alpha 74.29568000\n_cell_angle_beta 78.34391000\n_cell_angle_gamma 56.29095000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.19333231\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73011107 0.51335913 0.23778468 1\n C C1 1 0.29711633 0.37564849 0.37955349 1\n C C2 1 -0.03332197 0.61297484 0.56665675 1\n C C3 1 0.47367910 0.53880079 0.70088933 1\n C C4 1 0.32269716 0.92166419 0.23487792 1\n C C5 1 0.70380919 0.96785677 0.38187696 1\n C C6 1 0.06005400 0.27732098 0.04969506 1\n C C7 1 0.55230322 0.35220471 0.91556151 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.56379000\n_cell_length_b 2.47933000\n_cell_length_c 5.73247000\n_cell_angle_alpha 102.42246000\n_cell_angle_beta 89.45020000\n_cell_angle_gamma 90.21492000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.58355444\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27940778 0.33311288 0.78904357 1\n C C1 1 0.78075288 0.68231162 0.48403054 1\n C C2 1 0.77186480 0.56098610 0.24911015 1\n C C3 1 0.27665880 0.90961289 0.94404957 1\n C C4 1 0.77256735 -0.01134728 0.10479594 1\n C C5 1 0.78191340 0.25436179 0.62832912 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43818000\n_cell_length_b 8.34171000\n_cell_length_c 8.47917000\n_cell_angle_alpha 118.74785000\n_cell_angle_beta 87.72727000\n_cell_angle_gamma 106.14275000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 144.32824101\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20234663 0.23272402 0.45765541 1\n C C1 1 0.83645494 0.90969868 0.47021179 1\n C C2 1 0.11079998 0.21392940 0.04912770 1\n C C3 1 0.66704015 0.71449028 0.10524102 1\n C C4 1 0.46617780 0.06654399 0.75326740 1\n C C5 1 0.31786800 0.88163949 0.38027516 1\n C C6 1 0.32065391 0.64628626 0.60685726 1\n C C7 1 0.49782455 0.01987369 0.17196130 1\n C C8 1 0.85395074 0.41299486 0.93606554 1\n C C9 1 0.46011807 0.52513519 0.01388516 1\n C C10 1 0.80525730 0.35994293 0.73925063 1\n C C11 1 0.93254013 0.85095491 0.88616622 1\n C C12 1 0.73813893 0.46264184 0.32178961 1\n C C13 1 0.65415716 0.17224837 0.36565565 1\n C C14 1 0.27395964 0.82697100 0.18299594 1\n C C15 1 0.79378922 0.59058944 0.51187489 1\n C C16 1 0.38285135 0.77638134 0.79657936 1\n C C17 1 0.19156828 0.38912540 0.23184239 1\n C C18 1 0.28708236 0.33180406 0.64927540 1\n C C19 1 0.62728010 0.21928438 0.94623989 1\n C C20 1 -0.07997783 0.00769177 0.66139645 1\n C C21 1 0.01642642 1.02608837 0.06953412 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.25902000\n_cell_length_b 3.77136000\n_cell_length_c 4.99717000\n_cell_angle_alpha 90.32138000\n_cell_angle_beta 94.96710000\n_cell_angle_gamma 48.69185000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.92436986\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08998664 0.13959108 1.07740953 1\n C C1 1 0.63201901 0.15820885 0.34641637 1\n C C2 1 0.13040046 0.16565938 0.59691992 1\n C C3 1 0.73379422 0.89774056 0.86336642 1\n C C4 1 0.16626410 0.71798023 -0.04175938 1\n C C5 1 0.45761271 0.22538997 0.60363852 1\n C C6 1 0.41835817 0.19826737 0.08515971 1\n C C7 1 -0.08337973 0.20677675 0.33565378 1\n C C8 1 0.38225347 0.64608664 0.72331271 1\n C C9 1 0.81453914 0.46619188 0.81647452 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44671000\n_cell_length_b 6.42743000\n_cell_length_c 6.39424000\n_cell_angle_alpha 102.48883000\n_cell_angle_beta 117.30438000\n_cell_angle_gamma 103.53650000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.54487672\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19904019 0.72822359 0.65981024 1\n C C1 1 0.01894816 0.17851302 0.02317637 1\n C C2 1 0.38279926 1.02821373 0.99792503 1\n C C3 1 0.68469749 0.58197539 0.37782553 1\n C C4 1 0.90817521 0.81688240 0.77115304 1\n C C5 1 0.88924716 0.26421248 0.80854855 1\n C C6 1 -0.00124812 0.24550100 0.41759978 1\n C C7 1 0.43985967 0.32809837 0.31766921 1\n C C8 1 0.11776191 0.66465704 0.29293688 1\n C C9 1 1.27176671 0.27312192 0.69015256 1\n C C10 1 0.68027501 0.98316423 0.24174218 1\n C C11 1 0.13937405 -0.13827797 0.25775073 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42550000\n_cell_length_b 5.62106000\n_cell_length_c 6.32294000\n_cell_angle_alpha 95.94377000\n_cell_angle_beta 78.34646000\n_cell_angle_gamma 79.06482000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.98905965\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60369560 0.17248674 -0.02645877 1\n C C1 1 0.37302643 0.85742279 0.72208672 1\n C C2 1 0.48684516 0.84940367 0.48121719 1\n C C3 1 0.77833223 0.72498783 0.02647868 1\n C C4 1 0.86323921 0.30389651 0.31019341 1\n C C5 1 0.20787900 0.75308144 0.13838464 1\n C C6 1 0.90638684 0.71447028 0.78554220 1\n C C7 1 1.05438880 0.82556887 0.36914589 1\n C C8 1 0.69842824 0.39801973 0.53405466 1\n C C9 1 1.10955649 0.46776295 0.63965118 1\n C C10 1 0.19091279 0.10234740 0.86778204 1\n C C11 1 0.43975802 0.27264289 0.19620316 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.75034000\n_cell_length_b 3.62187000\n_cell_length_c 4.81010000\n_cell_angle_alpha 67.88636000\n_cell_angle_beta 92.42334000\n_cell_angle_gamma 90.45240000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.34915197\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26334726 0.68513708 1.01120155 1\n C C1 1 0.26434882 0.64926562 0.31918500 1\n C C2 1 0.26327565 1.08970011 0.81995833 1\n C C3 1 1.26336995 0.30343414 0.01122723 1\n C C4 1 0.26442042 0.24470259 0.51042822 1\n C C5 1 0.26432613 0.03096856 0.31915932 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48398000\n_cell_length_b 3.82447000\n_cell_length_c 5.22837000\n_cell_angle_alpha 98.85373000\n_cell_angle_beta 89.93303000\n_cell_angle_gamma 108.97855000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.34581759\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21197654 -0.04345235 0.68342880 1\n C C1 1 0.54593408 0.62711876 0.29017710 1\n C C2 1 0.93546485 0.40490381 0.18439238 1\n C C3 1 0.17358750 0.88207350 0.96261559 1\n C C4 1 0.60135136 0.73397273 0.57703461 1\n C C5 1 0.71970527 -0.02356489 0.12775856 1\n C C6 1 0.42584828 0.38436510 0.74024208 1\n C C7 1 0.97166012 0.47846562 0.90524547 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51253000\n_cell_length_b 4.18205000\n_cell_length_c 4.80658000\n_cell_angle_alpha 125.02387000\n_cell_angle_beta 121.26439000\n_cell_angle_gamma 72.73666000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.35322502\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24117568 0.08636206 0.38943735 1\n C C1 1 0.61000042 1.08620996 0.75828155 1\n C C2 1 0.61048281 0.31040057 0.37031276 1\n C C3 1 0.09370855 0.69827461 1.04567088 1\n C C4 1 0.24173640 0.31032394 1.00142769 1\n C C5 1 0.76138234 0.69813996 0.71502106 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43158000\n_cell_length_b 6.09142000\n_cell_length_c 4.57877000\n_cell_angle_alpha 63.04441000\n_cell_angle_beta 77.99452000\n_cell_angle_gamma 71.57801000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.18540135\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54591325 0.42459172 0.63358325 1\n C C1 1 0.04491368 0.17591248 0.13384515 1\n C C2 1 0.04476049 0.50954986 0.46652310 1\n C C3 1 0.54518057 0.75913934 0.96662397 1\n C C4 1 0.54548599 0.92532542 0.63388581 1\n C C5 1 1.04438511 0.01024020 0.46678237 1\n C C6 1 1.04492682 0.67586149 0.13385639 1\n C C7 1 0.54540270 0.25886118 0.96649237 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26435000\n_cell_length_b 4.23374000\n_cell_length_c 4.24346000\n_cell_angle_alpha 59.95939000\n_cell_angle_beta 49.74376000\n_cell_angle_gamma 55.99986000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.19495024\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02155138 0.19436086 0.34903611 1\n C C1 1 0.81085310 0.57588255 0.40328157 1\n C C2 1 1.14792826 0.81279089 0.61648748 1\n C C3 1 -0.01954365 0.19393071 1.03174433 1\n C C4 1 0.81118289 0.57555504 0.76416436 1\n C C5 1 0.14831618 0.81240505 0.97747424 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44289000\n_cell_length_b 4.80614000\n_cell_length_c 5.96545000\n_cell_angle_alpha 119.83261000\n_cell_angle_beta 101.77926000\n_cell_angle_gamma 75.32721000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.52135988\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91865004 0.75839320 0.37564093 1\n C C1 1 0.66517494 0.02130071 0.13100467 1\n C C2 1 -0.19085839 0.42003938 -0.17074115 1\n C C3 1 0.09208927 0.52534512 0.49134785 1\n C C4 1 0.55451935 0.96472172 0.86207834 1\n C C5 1 0.81523067 0.68056589 0.09795617 1\n C C6 1 0.17948030 0.16731169 0.30565995 1\n C C7 1 0.35305575 0.98211347 0.46798689 1\n C C8 1 0.38581120 0.19522394 0.75567299 1\n C C9 1 0.63679657 0.60876549 0.66978354 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45434000\n_cell_length_b 5.18221000\n_cell_length_c 5.73866000\n_cell_angle_alpha 83.05815000\n_cell_angle_beta 115.40968000\n_cell_angle_gamma 89.96256000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 65.33303579\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51043420 0.82744131 0.79194221 1\n C C1 1 0.32245688 0.33166162 0.60432245 1\n C C2 1 0.27685807 0.06257212 0.55829603 1\n C C3 1 -0.09988019 0.72008782 0.68198955 1\n C C4 1 0.77880952 0.87232064 0.06083985 1\n C C5 1 0.66725702 0.95342383 0.44893006 1\n C C6 1 0.39794099 0.90546474 0.18068141 1\n C C7 1 0.85427981 0.45223932 0.63559205 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47964000\n_cell_length_b 6.34983000\n_cell_length_c 5.86874000\n_cell_angle_alpha 98.25067000\n_cell_angle_beta 77.73221000\n_cell_angle_gamma 78.66268000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.86191729\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35049645 0.40519624 0.61776466 1\n C C1 1 0.78224875 0.87143694 0.28783903 1\n C C2 1 0.66132141 0.26906422 0.12626549 1\n C C3 1 0.95375207 0.28499934 0.53135246 1\n C C4 1 0.29542585 0.94180569 0.18967726 1\n C C5 1 0.61252834 0.46977762 0.02247894 1\n C C6 1 0.41952367 0.94900795 0.93500945 1\n C C7 1 0.61843750 0.76939928 0.71801252 1\n C C8 1 0.62141029 0.93439943 0.54711644 1\n C C9 1 0.87086607 0.07913161 0.90099323 1\n C C10 1 0.15179179 0.50552196 0.90757720 1\n C C11 1 1.18465352 0.63966399 0.71566981 1\n C C12 1 0.12285281 0.21581952 0.25782993 1\n C C13 1 0.00956209 0.07287632 0.63250318 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58519000\n_cell_length_b 4.61361000\n_cell_length_c 4.24739000\n_cell_angle_alpha 98.23741000\n_cell_angle_beta 104.34400000\n_cell_angle_gamma 79.49002000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.99971437\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48174354 0.45525879 0.18897316 1\n C C1 1 0.90265718 0.92237330 0.84142574 1\n C C2 1 0.87668970 0.92710952 0.17048024 1\n C C3 1 0.78186239 0.20899647 0.70227124 1\n C C4 1 0.29639013 0.39317929 0.82140663 1\n C C5 1 0.69052091 0.17977955 0.34474075 1\n C C6 1 -0.00387480 0.64003777 0.30865011 1\n C C7 1 1.08804484 0.66948121 0.66673313 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51397000\n_cell_length_b 4.67930000\n_cell_length_c 6.64855000\n_cell_angle_alpha 49.12401000\n_cell_angle_beta 82.41858000\n_cell_angle_gamma 77.10717000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.63608446\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91385227 1.11707056 0.62190518 1\n C C1 1 0.77979339 0.72890448 0.17224736 1\n C C2 1 0.51253266 0.45274193 0.93341834 1\n C C3 1 0.26708776 -0.08475231 1.00443973 1\n C C4 1 0.42061006 0.88555589 0.78853703 1\n C C5 1 0.90713038 0.47004977 0.59856586 1\n C C6 1 1.06853920 0.34355484 0.85931565 1\n C C7 1 0.50923810 0.19937600 0.24620169 1\n C C8 1 -0.06963588 0.29501033 0.32810626 1\n C C9 1 0.70298348 0.79306502 0.36404752 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25989000\n_cell_length_b 4.23752000\n_cell_length_c 3.63049000\n_cell_angle_alpha 90.13920000\n_cell_angle_beta 104.43880000\n_cell_angle_gamma 130.19656000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.18120105\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18750976 0.10966267 0.15957714 1\n C C1 1 0.18732260 0.74828619 0.15868918 1\n C C2 1 0.61247372 0.32243717 0.92266647 1\n C C3 1 0.40068711 0.69443951 0.54033318 1\n C C4 1 0.39902876 0.37642522 0.54091243 1\n C C5 1 0.61228624 0.96120933 0.92200429 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48527000\n_cell_length_b 4.78141000\n_cell_length_c 4.67829000\n_cell_angle_alpha 87.77183000\n_cell_angle_beta 105.38535000\n_cell_angle_gamma 121.34477000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44455148\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.94363574 0.18109264 0.98953474 1\n C C1 1 1.04578417 1.11354256 0.33104106 1\n C C2 1 0.98313133 0.70635592 1.01982810 1\n C C3 1 0.32140451 0.88774046 0.33394330 1\n C C4 1 0.46843983 0.41982478 0.56291454 1\n C C5 1 0.57010763 0.35066366 -0.09665126 1\n C C6 1 0.53050340 0.82522456 0.87571986 1\n C C7 1 0.19385219 0.64586302 0.56144286 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43137000\n_cell_length_b 4.22727000\n_cell_length_c 5.96567000\n_cell_angle_alpha 126.88134000\n_cell_angle_beta 89.98967000\n_cell_angle_gamma 106.74378000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.75604782\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90363198 0.63266121 0.72336474 1\n C C1 1 0.82829182 0.48149761 1.15406140 1\n C C2 1 0.29063752 0.40537348 -0.02945555 1\n C C3 1 0.65998621 0.14537803 0.18265508 1\n C C4 1 0.05481281 -0.06408149 0.43539859 1\n C C5 1 0.67722864 1.17837793 0.44209864 1\n C C6 1 0.07080419 -0.03121469 0.69476770 1\n C C7 1 0.44289514 0.70918933 0.90719420 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28992000\n_cell_length_b 3.31116000\n_cell_length_c 4.83619000\n_cell_angle_alpha 77.19131000\n_cell_angle_beta 77.12401000\n_cell_angle_gamma 79.71676000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.61599230\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.16293099 0.48965426 0.02379157 1\n C C1 1 0.51074309 0.81780695 1.02346788 1\n C C2 1 -0.04447871 0.26292796 0.27904107 1\n C C3 1 0.28122566 0.93442765 0.27931681 1\n C C4 1 0.41591224 0.03468954 0.73848980 1\n C C5 1 0.37030508 0.71586450 0.56491277 1\n C C6 1 0.73327544 0.35224494 0.56489423 1\n C C7 1 1.05251981 0.39839540 0.73840407 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47960000\n_cell_length_b 2.53672000\n_cell_length_c 6.26672000\n_cell_angle_alpha 66.55550000\n_cell_angle_beta 78.46615000\n_cell_angle_gamma 89.88563000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.30148406\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68287243 0.32815804 0.41498236 1\n C C1 1 -0.05630092 0.86307940 0.89092873 1\n C C2 1 0.60258618 0.67143641 0.57593997 1\n C C3 1 1.02526608 0.51981549 0.73015337 1\n C C4 1 0.37215204 0.71926904 0.03404946 1\n C C5 1 0.25325779 0.47088822 0.27242871 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46881000\n_cell_length_b 4.34037000\n_cell_length_c 12.08403000\n_cell_angle_alpha 103.85367000\n_cell_angle_beta 86.95313000\n_cell_angle_gamma 90.04333000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 125.53300105\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01394815 0.44924925 0.95720739 1\n C C1 1 0.85590341 0.34497278 0.40625943 1\n C C2 1 0.78351727 -0.00561983 0.66408000 1\n C C3 1 0.78725329 0.89001595 0.77526694 1\n C C4 1 -0.28064001 0.23974428 0.77816815 1\n C C5 1 0.36309892 0.45042262 0.37861927 1\n C C6 1 0.48048822 0.64571702 0.00121863 1\n C C7 1 0.37904750 0.63155063 0.29340191 1\n C C8 1 -0.09032711 0.23401107 0.13688157 1\n C C9 1 0.28721923 0.77798177 0.82400109 1\n C C10 1 0.43724311 0.73134686 0.12656288 1\n C C11 1 0.29904547 -0.01912321 0.60048289 1\n C C12 1 1.41707941 0.93864298 -0.04365417 1\n C C13 1 0.84745477 1.03258833 0.42991299 1\n C C14 1 0.91781199 0.91931220 0.17757819 1\n C C15 1 0.33043998 0.98879221 0.49123001 1\n C C16 1 0.40525765 0.43388751 0.17287920 1\n C C17 1 0.19357672 0.41758970 0.82550546 1\n C C18 1 -0.12136830 0.83377889 0.30240272 1\n C C19 1 0.93162535 0.14054090 -0.00098156 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.42704000\n_cell_length_b 4.74076000\n_cell_length_c 4.73074000\n_cell_angle_alpha 72.35192000\n_cell_angle_beta 43.64019000\n_cell_angle_gamma 65.28497000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.18387096\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09245077 0.80065478 0.06385707 1\n C C1 1 0.40819957 0.83075247 0.41189390 1\n C C2 1 0.53567456 0.33082654 0.28357779 1\n C C3 1 0.17725331 0.63456259 0.78405505 1\n C C4 1 1.04877946 0.13478599 0.91181236 1\n C C5 1 0.49295355 0.66495582 0.13208307 1\n C C6 1 0.06080692 0.16490641 0.56332464 1\n C C7 1 0.52372646 0.30050551 0.63184363 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47864000\n_cell_length_b 3.98994000\n_cell_length_c 8.42283000\n_cell_angle_alpha 103.57354000\n_cell_angle_beta 63.74847000\n_cell_angle_gamma 89.99917000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.10388291\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96873068 0.11115177 0.97973033 1\n C C1 1 -0.09498080 0.77477718 0.68881064 1\n C C2 1 0.77803215 0.85795664 0.10883473 1\n C C3 1 0.83639969 1.00709720 0.40291012 1\n C C4 1 0.77857346 0.49151797 0.10868994 1\n C C5 1 0.48763322 0.08084542 0.30204505 1\n C C6 1 0.48698823 0.45909642 0.30232272 1\n C C7 1 0.53733582 0.23094565 0.60115348 1\n C C8 1 0.83564387 0.63225941 0.40330132 1\n C C9 1 0.53568390 0.60344863 0.60232192 1\n C C10 1 0.64131571 0.05199060 0.86452090 1\n C C11 1 0.90800595 0.14446480 0.68691295 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43207000\n_cell_length_b 4.20078000\n_cell_length_c 5.98099000\n_cell_angle_alpha 79.24907000\n_cell_angle_beta 73.34616000\n_cell_angle_gamma 89.77867000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.43471258\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54867176 0.30816087 0.12297738 1\n C C1 1 0.54948161 -0.02468764 1.12276416 1\n C C2 1 0.04871273 0.80820129 0.12285066 1\n C C3 1 0.21198507 0.67770359 0.62727229 1\n C C4 1 0.71202728 0.17771077 0.62723849 1\n C C5 1 1.04947430 0.47529921 1.12285198 1\n C C6 1 0.21277444 0.34480469 0.62719316 1\n C C7 1 0.71280602 0.84484202 0.62711099 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48092000\n_cell_length_b 3.68918000\n_cell_length_c 4.84156000\n_cell_angle_alpha 111.45774000\n_cell_angle_beta 104.86510000\n_cell_angle_gamma 109.65623000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00643878\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.98295625 0.83181269 0.98141023 1\n C C1 1 0.00697912 0.17652708 0.68462323 1\n C C2 1 0.02312770 0.41552315 0.47774265 1\n C C3 1 0.73189169 0.70276191 0.60822789 1\n C C4 1 0.70875222 0.35872452 0.90620062 1\n C C5 1 0.69309092 1.11967654 0.11263628 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.20316000\n_cell_length_b 4.30541000\n_cell_length_c 4.55819000\n_cell_angle_alpha 100.45914000\n_cell_angle_beta 88.77293000\n_cell_angle_gamma 59.48067000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.24681302\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80571122 0.03722376 0.39620992 1\n C C1 1 0.90044608 0.47519941 0.84741466 1\n C C2 1 -0.06836011 1.00659559 0.07393526 1\n C C3 1 0.46062580 0.02558768 0.42222832 1\n C C4 1 0.97883012 0.75596556 0.83361837 1\n C C5 1 0.12445758 0.36187006 0.36041803 1\n C C6 1 0.45260741 0.73456728 0.48533486 1\n C C7 1 0.01210032 0.28658965 0.06124022 1\n C C8 1 0.78810466 0.39914831 0.54794784 1\n C C9 1 1.10748481 0.72343469 0.51194102 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42703000\n_cell_length_b 4.87885000\n_cell_length_c 4.22957000\n_cell_angle_alpha 87.61267000\n_cell_angle_beta 89.97962000\n_cell_angle_gamma 60.18372000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.40338657\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.05040605 0.43901766 0.84496811 1\n C C1 1 0.36190856 1.02823443 0.25475255 1\n C C2 1 0.36725900 0.52195168 0.33827460 1\n C C3 1 0.01890067 0.87124157 0.27670733 1\n C C4 1 0.42643477 0.46255159 0.68790482 1\n C C5 1 1.01140455 0.37808627 0.19426389 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48623000\n_cell_length_b 2.48661000\n_cell_length_c 7.03081000\n_cell_angle_alpha 89.99935000\n_cell_angle_beta 89.99858000\n_cell_angle_gamma 89.99535000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.46646668\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02363206 0.51251080 0.23419733 1\n C C1 1 1.02357784 0.01249653 0.35901064 1\n C C2 1 0.52357784 0.51249653 0.10901064 1\n C C3 1 0.52363206 1.01251080 0.48419733 1\n C C4 1 0.52363206 0.01251080 -0.01580267 1\n C C5 1 0.52357784 0.51249653 0.60901064 1\n C C6 1 0.02363206 0.51251080 0.73419733 1\n C C7 1 0.02357784 1.01249653 0.85901064 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51142000\n_cell_length_b 4.69411000\n_cell_length_c 7.47172000\n_cell_angle_alpha 112.57933000\n_cell_angle_beta 104.34321000\n_cell_angle_gamma 107.29547000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.81028319\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36009813 0.10103986 0.71981398 1\n C C1 1 0.40307156 0.76762234 0.37019068 1\n C C2 1 1.11667992 0.59217450 0.91822624 1\n C C3 1 0.72003496 0.38540876 0.44636114 1\n C C4 1 0.48134987 0.47621785 0.77110730 1\n C C5 1 0.84731904 0.28825703 0.96096735 1\n C C6 1 0.72030716 0.54449127 0.30198580 1\n C C7 1 0.47117673 1.01741255 0.29664214 1\n C C8 1 0.42424244 0.25755670 0.07173669 1\n C C9 1 0.36206460 0.94540072 0.09659210 1\n C C10 1 0.65710782 -0.10131628 0.61167534 1\n C C11 1 0.39659878 0.53407041 0.58520943 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.62547000\n_cell_length_b 4.81655000\n_cell_length_c 5.68010000\n_cell_angle_alpha 89.83078000\n_cell_angle_beta 87.20453000\n_cell_angle_gamma 112.11598000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 91.75582390\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.08917716 0.64232938 0.12695335 1\n C C1 1 0.52988659 0.14172406 0.12651667 1\n C C2 1 0.93427600 0.33262935 0.12696844 1\n C C3 1 0.09589550 0.62934602 0.62104157 1\n C C4 1 0.15432685 0.12847591 0.62156964 1\n C C5 1 0.53599689 0.12855080 0.62118846 1\n C C6 1 0.50073483 0.82008499 0.62154561 1\n C C7 1 0.14810637 0.14149523 0.12695399 1\n C C8 1 0.88200269 0.81996640 0.62135861 1\n C C9 1 0.49379716 0.83359095 1.12662644 1\n C C10 1 0.87512867 0.83340034 1.12670299 1\n C C11 1 0.94098330 0.31946427 0.62102182 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48121000\n_cell_length_b 6.01508000\n_cell_length_c 8.72311000\n_cell_angle_alpha 81.91184000\n_cell_angle_beta 81.80666000\n_cell_angle_gamma 65.61127000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 116.87707216\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01824617 0.86536309 0.89517589 1\n C C1 1 -0.46416880 0.71662931 0.14891553 1\n C C2 1 0.66097457 0.08841313 0.15285739 1\n C C3 1 0.75637461 0.14746782 0.85341086 1\n C C4 1 0.77644442 0.44524737 0.21319706 1\n C C5 1 0.34196426 0.67992491 0.61538650 1\n C C6 1 0.62577874 0.42728682 0.55203488 1\n C C7 1 0.81306291 0.18119719 0.66656732 1\n C C8 1 0.86212834 0.53482414 0.86693663 1\n C C9 1 0.46235881 0.05338453 0.62397732 1\n C C10 1 0.29243114 0.64270794 0.78913284 1\n C C11 1 0.10500015 0.26539077 0.92005203 1\n C C12 1 0.71244065 0.82365179 0.58600752 1\n C C13 1 0.18597712 0.41357964 0.45954386 1\n C C14 1 0.59394974 0.75069163 0.97202321 1\n C C15 1 0.88529459 0.84709553 0.18712220 1\n C C16 1 0.25949647 0.41570028 0.30679989 1\n C C17 1 0.04703942 0.22558631 0.10741647 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.61588000\n_cell_length_b 4.82264000\n_cell_length_c 5.79560000\n_cell_angle_alpha 126.39086000\n_cell_angle_beta 91.17698000\n_cell_angle_gamma 111.29452000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.95076352\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44375405 -0.08759232 0.19803581 1\n C C1 1 0.30295512 0.22495613 0.36470567 1\n C C2 1 1.08987815 0.10309834 0.70577603 1\n C C3 1 0.25236540 0.74939970 0.87604185 1\n C C4 1 0.42707205 0.43379127 0.24447383 1\n C C5 1 0.38589405 0.43412483 0.69381136 1\n C C6 1 -0.15020221 0.91288677 0.21907512 1\n C C7 1 0.39210464 1.10310839 0.90147324 1\n C C8 1 0.87603002 0.74929766 0.37787886 1\n C C9 1 0.83063449 0.28211961 0.89323339 1\n C C10 1 0.15206278 0.58518848 0.20842943 1\n C C11 1 0.81223377 0.58570864 0.88174701 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47290000\n_cell_length_b 5.30984000\n_cell_length_c 7.71054000\n_cell_angle_alpha 98.11688000\n_cell_angle_beta 80.72325000\n_cell_angle_gamma 89.98859000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 98.89234210\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22208850 0.09705698 0.42444773 1\n C C1 1 0.62491177 0.76777511 0.61687575 1\n C C2 1 0.33712899 0.98568842 0.19477609 1\n C C3 1 0.69915606 0.95466933 0.47197247 1\n C C4 1 0.32064970 0.71570496 0.23015516 1\n C C5 1 0.87801833 0.33673372 0.11431205 1\n C C6 1 1.07457154 0.43733797 0.71577585 1\n C C7 1 0.54605460 0.32622890 0.77276326 1\n C C8 1 1.06767437 0.73770082 0.72863171 1\n C C9 1 0.37277672 0.46158572 0.12593830 1\n C C10 1 0.51490898 0.10900637 0.83801232 1\n C C11 1 -0.23331584 0.71411764 0.34006498 1\n C C12 1 0.70124013 0.53063502 0.47125168 1\n C C13 1 0.88392012 0.05529336 0.09974604 1\n C C14 1 -0.00889833 -0.02064973 0.88389124 1\n C C15 1 0.18646595 0.38190111 0.50097495 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42685000\n_cell_length_b 7.51371000\n_cell_length_c 5.61155000\n_cell_angle_alpha 77.74443000\n_cell_angle_beta 101.07377000\n_cell_angle_gamma 80.61140000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 95.88724143\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93033295 0.19096746 0.53648751 1\n C C1 1 0.06845912 0.33737662 1.02214046 1\n C C2 1 0.37188103 0.28846281 0.51457578 1\n C C3 1 1.50723220 0.43292072 -0.01081058 1\n C C4 1 0.38053760 0.76335374 0.06922920 1\n C C5 1 0.74824212 0.04326393 0.09092134 1\n C C6 1 0.75925241 0.69278456 0.71844824 1\n C C7 1 0.73859544 0.56855459 0.53764174 1\n C C8 1 0.18977594 0.14051824 0.06782184 1\n C C9 1 0.36270880 0.63841883 0.88957789 1\n C C10 1 0.04758787 -0.00602066 0.58070759 1\n C C11 1 0.27441660 0.47887629 0.51510655 1\n C C12 1 0.84615043 0.85263948 0.09220610 1\n C C13 1 0.61048299 0.89830340 0.61522352 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46962000\n_cell_length_b 3.23756000\n_cell_length_c 5.16662000\n_cell_angle_alpha 92.14977000\n_cell_angle_beta 89.95884000\n_cell_angle_gamma 112.39544000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.16318590\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72916357 0.45934307 0.89706592 1\n C C1 1 0.36738393 0.73529750 0.89470584 1\n C C2 1 0.55370894 0.11091999 0.11431064 1\n C C3 1 1.04312943 1.08523497 0.52351288 1\n C C4 1 0.54228693 1.08357993 0.67615154 1\n C C5 1 0.05262040 0.10906143 0.26703458 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49100000\n_cell_length_b 3.59298000\n_cell_length_c 4.35281000\n_cell_angle_alpha 84.29693000\n_cell_angle_beta 73.38239000\n_cell_angle_gamma 69.70505000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01351427\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62494033 0.73433292 0.31667198 1\n C C1 1 0.70838147 0.36348880 0.52239490 1\n C C2 1 -0.00470079 0.99310205 0.31671874 1\n C C3 1 0.18501489 -0.00708237 0.94042514 1\n C C4 1 0.10291328 0.36331584 0.73460377 1\n C C5 1 0.81346242 0.73432705 -0.05940482 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.21740000\n_cell_length_b 2.46549000\n_cell_length_c 7.46828000\n_cell_angle_alpha 90.08117000\n_cell_angle_beta 75.33927000\n_cell_angle_gamma 67.62431000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.68040335\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29770786 -0.05277890 0.15811838 1\n C C1 1 0.14162598 0.52562094 0.88801782 1\n C C2 1 0.73303159 0.72968317 0.42536698 1\n C C3 1 0.04226440 0.07479850 -0.00329629 1\n C C4 1 0.37445647 0.40921083 0.70604299 1\n C C5 1 0.50124776 0.84644566 0.60732157 1\n C C6 1 0.57684866 0.30768310 0.15443251 1\n C C7 1 0.83183569 0.18082631 0.31651043 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43544000\n_cell_length_b 8.83241000\n_cell_length_c 6.47707000\n_cell_angle_alpha 110.33589000\n_cell_angle_beta 101.36773000\n_cell_angle_gamma 85.71845000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 128.07715251\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61382086 0.87844081 0.90054184 1\n C C1 1 0.69012500 0.90926851 0.14139217 1\n C C2 1 -0.00810843 0.83899832 0.55212225 1\n C C3 1 0.04864924 0.66355766 0.49010718 1\n C C4 1 0.51008908 0.08476394 0.60579341 1\n C C5 1 1.09239452 0.33147837 0.82110697 1\n C C6 1 0.24766365 0.84339005 0.21648259 1\n C C7 1 0.11782979 0.16651280 0.23701996 1\n C C8 1 1.06440078 0.87203500 0.79381815 1\n C C9 1 0.66045856 0.58222573 0.02218692 1\n C C10 1 0.03512401 0.16545764 0.67970796 1\n C C11 1 0.56276530 0.58283515 0.46467044 1\n C C12 1 1.09566267 0.33378420 0.32959406 1\n C C13 1 0.43618513 0.90503199 0.47751069 1\n C C14 1 0.62932496 0.08502555 0.20602896 1\n C C15 1 0.59513007 0.41529551 0.38130208 1\n C C16 1 0.61232273 0.41433732 -0.11114822 1\n C C17 1 0.18322007 0.66339426 0.09305959 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49107000\n_cell_length_b 3.59332000\n_cell_length_c 4.35115000\n_cell_angle_alpha 84.30692000\n_cell_angle_beta 73.37227000\n_cell_angle_gamma 69.71037000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00381375\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.30267655 0.73311531 0.67282297 1\n C C1 1 0.67378092 0.99175081 0.67267204 1\n C C2 1 0.49214006 0.73300714 0.29658552 1\n C C3 1 0.86324443 -0.00835736 0.29643459 1\n C C4 1 0.78035320 0.36222822 0.09079668 1\n C C5 1 0.38556778 0.36252972 0.87846087 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.76112000\n_cell_length_b 4.20986000\n_cell_length_c 4.26924000\n_cell_angle_alpha 84.17865000\n_cell_angle_beta 68.31341000\n_cell_angle_gamma 67.99591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.18424890\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27841822 0.12085320 0.00357514 1\n C C1 1 0.27722254 0.66232631 0.46556747 1\n C C2 1 -0.03664895 0.27302540 0.85534685 1\n C C3 1 0.96223746 0.51403405 0.61759130 1\n C C4 1 0.78098310 0.89304926 0.23651873 1\n C C5 1 0.64755731 0.12493298 1.00781094 1\n C C6 1 0.14705308 0.88935264 0.23301564 1\n C C7 1 0.64614544 0.66636497 0.47008483 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47606000\n_cell_length_b 4.79197000\n_cell_length_c 4.86347000\n_cell_angle_alpha 67.94939000\n_cell_angle_beta 59.37494000\n_cell_angle_gamma 89.96346000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.69120827\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07623052 0.67205419 0.39358725 1\n C C1 1 0.18949714 0.16008448 0.78043258 1\n C C2 1 0.81918526 0.16046607 0.15042469 1\n C C3 1 0.44635220 0.67252867 0.02381290 1\n C C4 1 0.36872259 0.51711140 0.60110725 1\n C C5 1 0.11202948 1.00603828 0.35777125 1\n C C6 1 0.74255564 0.00562055 0.72736834 1\n C C7 1 -0.00081453 0.51749715 0.97115934 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45402000\n_cell_length_b 5.73053000\n_cell_length_c 5.97843000\n_cell_angle_alpha 82.13257000\n_cell_angle_beta 71.85513000\n_cell_angle_gamma 64.70340000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 72.23106714\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00461260 0.94137578 0.30450656 1\n C C1 1 0.94870858 0.38014215 0.34251034 1\n C C2 1 0.99689823 0.56243398 0.11049915 1\n C C3 1 0.36556640 0.10187645 0.24269514 1\n C C4 1 1.22828159 -0.05667565 0.91763949 1\n C C5 1 0.41147809 0.38210746 0.87766573 1\n C C6 1 0.37676804 0.88976463 0.66884316 1\n C C7 1 0.54786843 0.10316923 -0.02075438 1\n C C8 1 -0.03848548 0.88875901 0.55377267 1\n C C9 1 0.32591391 0.73271238 0.11108920 1\n C C10 1 0.28488121 0.40601814 0.49097235 1\n C C11 1 0.02777480 0.40720572 0.72734098 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47714000\n_cell_length_b 4.14377000\n_cell_length_c 6.07765000\n_cell_angle_alpha 94.48227000\n_cell_angle_beta 101.72177000\n_cell_angle_gamma 90.00576000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.88926286\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35346287 0.37844583 0.18682343 1\n C C1 1 0.46991827 0.54228102 0.42732911 1\n C C2 1 0.96906839 0.76256019 0.42572333 1\n C C3 1 -0.31239011 0.32218647 0.84938683 1\n C C4 1 0.31296359 0.02183581 0.10748970 1\n C C5 1 0.54932999 0.28074501 0.58627717 1\n C C6 1 0.84614331 0.85179171 0.17294183 1\n C C7 1 0.79832168 0.51080676 0.07714203 1\n C C8 1 0.04914428 0.06247387 0.58613524 1\n C C9 1 0.19191185 0.11150183 0.85830653 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48072000\n_cell_length_b 3.74321000\n_cell_length_c 3.84484000\n_cell_angle_alpha 90.06571000\n_cell_angle_beta 89.91701000\n_cell_angle_gamma 89.95698000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.70255920\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21465470 0.82718981 0.73090726 1\n C C1 1 0.71485148 0.32294577 0.43567974 1\n C C2 1 0.71468127 0.32333199 1.02590230 1\n C C3 1 0.21440079 0.56095228 0.02617406 1\n C C4 1 0.71457935 0.05658281 0.73061368 1\n C C5 1 0.21457121 0.56046575 0.43595776 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47043000\n_cell_length_b 3.56174000\n_cell_length_c 6.93547000\n_cell_angle_alpha 99.31639000\n_cell_angle_beta 102.64642000\n_cell_angle_gamma 106.38836000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.92526138\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45953615 -0.03366724 0.55653600 1\n C C1 1 0.84571636 0.93276164 0.23848164 1\n C C2 1 0.49456050 0.17075229 0.12291253 1\n C C3 1 0.38622326 0.57857120 0.41597537 1\n C C4 1 0.05212680 0.57380532 0.75193856 1\n C C5 1 -0.09720245 0.56263660 -0.07235511 1\n C C6 1 1.08278324 0.87529658 0.09604057 1\n C C7 1 0.37618279 0.91820563 0.75274662 1\n C C8 1 0.56913480 0.55762620 0.26357013 1\n C C9 1 0.10993009 0.20132543 0.44069761 1\n C C10 1 0.57846201 0.21812841 0.92722909 1\n C C11 1 0.87212944 0.25979906 0.58347429 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.22437000\n_cell_length_b 3.45356000\n_cell_length_c 6.42532000\n_cell_angle_alpha 86.28668000\n_cell_angle_beta 105.76493000\n_cell_angle_gamma 102.21912000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 88.16727581\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31252073 0.12659729 0.46137831 1\n C C1 1 0.14421154 0.96160331 0.79458495 1\n C C2 1 0.81248964 0.62656584 0.46136503 1\n C C3 1 0.86785318 0.68243716 0.68330154 1\n C C4 1 0.03363426 0.84958593 0.35022430 1\n C C5 1 0.69852902 0.51758668 1.01644426 1\n C C6 1 0.53363738 0.34950414 0.35024727 1\n C C7 1 0.47664535 0.29507915 0.12800822 1\n C C8 1 0.64416147 0.46156305 0.79458222 1\n C C9 1 0.36783572 0.18242358 0.68328221 1\n C C10 1 0.19858405 1.01759437 1.01643299 1\n C C11 1 0.97662657 0.79509719 0.12799501 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47842000\n_cell_length_b 4.28967000\n_cell_length_c 6.78213000\n_cell_angle_alpha 114.95416000\n_cell_angle_beta 89.99318000\n_cell_angle_gamma 90.00298000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.37360909\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72971337 0.27960845 0.73695416 1\n C C1 1 0.22983108 0.94426686 0.98428051 1\n C C2 1 0.72963259 0.44427629 0.98433906 1\n C C3 1 0.72971452 0.00088850 0.31866972 1\n C C4 1 0.22964769 0.33331493 0.06782270 1\n C C5 1 0.72971784 0.72369707 0.40267500 1\n C C6 1 0.72990817 0.89078242 0.65349667 1\n C C7 1 0.72978761 0.83331698 0.06777791 1\n C C8 1 0.22970871 0.50087545 0.31869413 1\n C C9 1 0.22993391 0.77959803 0.73689364 1\n C C10 1 0.22973985 0.39079034 0.65355187 1\n C C11 1 0.22969577 0.22369217 0.40271053 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39052000\n_cell_length_b 2.46339000\n_cell_length_c 5.28328000\n_cell_angle_alpha 90.04643000\n_cell_angle_beta 93.41873000\n_cell_angle_gamma 111.02161000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.10503816\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03065817 0.89999286 0.25359132 1\n C C1 1 0.78166230 0.30657524 0.12793079 1\n C C2 1 1.14160861 0.48564528 0.93134359 1\n C C3 1 0.32928332 0.07839948 0.05705888 1\n C C4 1 0.03797285 0.93827502 0.52945972 1\n C C5 1 0.07368199 0.45561122 0.65548899 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47515000\n_cell_length_b 3.67943000\n_cell_length_c 4.83395000\n_cell_angle_alpha 122.00476000\n_cell_angle_beta 75.73888000\n_cell_angle_gamma 109.40114000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.07598656\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02312477 0.33566779 0.07251284 1\n C C1 1 0.20216706 0.57469869 0.86521758 1\n C C2 1 0.65807391 0.98936420 0.36966989 1\n C C3 1 0.46023352 0.51676434 0.29378019 1\n C C4 1 0.78100227 0.86274762 -0.00349483 1\n C C5 1 0.23679481 0.27751366 0.50090784 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.78742000\n_cell_length_b 3.39937000\n_cell_length_c 3.39753000\n_cell_angle_alpha 86.12590000\n_cell_angle_beta 77.36680000\n_cell_angle_gamma 57.34542000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.33984164\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28115341 0.14396970 0.93358216 1\n C C1 1 0.49075894 0.31666728 0.07160935 1\n C C2 1 0.72649386 0.88997621 0.26135586 1\n C C3 1 0.93662440 0.54402804 0.87815987 1\n C C4 1 0.27728157 0.79020476 0.29217686 1\n C C5 1 -0.06087442 -0.10243903 0.52287477 1\n C C6 1 0.72611128 0.37124558 0.74349739 1\n C C7 1 0.49131576 0.79711457 0.55140073 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44645000\n_cell_length_b 6.23254000\n_cell_length_c 5.96397000\n_cell_angle_alpha 115.25424000\n_cell_angle_beta 105.78823000\n_cell_angle_gamma 93.73201000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.40830701\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.22751797 0.76670127 0.87761957 1\n C C1 1 0.37419799 0.54463182 0.22853339 1\n C C2 1 -0.01418244 -0.01002656 0.29577035 1\n C C3 1 0.12654031 0.76787860 0.64718355 1\n C C4 1 0.59699673 -0.00954136 0.45088074 1\n C C5 1 0.76336974 0.54446120 0.07367717 1\n C C6 1 0.93912915 0.21656623 0.26865962 1\n C C7 1 0.43058483 0.31855241 0.25660746 1\n C C8 1 0.48397584 0.31829770 0.81925999 1\n C C9 1 -0.12645596 0.21654307 0.70495174 1\n C C10 1 0.54646975 0.76787087 0.50284530 1\n C C11 1 0.80846250 0.76685874 1.02155773 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42670000\n_cell_length_b 4.87509000\n_cell_length_c 4.22636000\n_cell_angle_alpha 88.71382000\n_cell_angle_beta 89.97357000\n_cell_angle_gamma 60.15782000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.35525691\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02375592 0.18628406 0.28267634 1\n C C1 1 0.60857527 0.10142856 0.78811580 1\n C C2 1 -0.03755585 0.24745753 0.93442473 1\n C C3 1 0.54834047 0.16173108 0.43938841 1\n C C4 1 -0.04312052 0.75294011 0.84969275 1\n C C5 1 0.61363490 0.59632807 0.87426556 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35818000\n_cell_length_b 3.30457000\n_cell_length_c 7.56597000\n_cell_angle_alpha 91.06666000\n_cell_angle_beta 76.99926000\n_cell_angle_gamma 94.09727000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 81.60058987\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88504524 0.96913556 0.34402035 1\n C C1 1 0.60156533 0.90825103 0.74360098 1\n C C2 1 0.88884943 0.77870742 0.03095312 1\n C C3 1 0.65110406 0.05480548 0.93338536 1\n C C4 1 0.39127592 0.46977002 0.33415259 1\n C C5 1 0.92937863 0.63755558 0.63560479 1\n C C6 1 0.22481351 0.14185627 0.03067969 1\n C C7 1 0.79102771 0.63405320 0.22478547 1\n C C8 1 0.49920057 0.14054807 0.45357640 1\n C C9 1 0.24791475 0.55113282 0.73928673 1\n C C10 1 0.16009103 0.80136281 0.45354221 1\n C C11 1 0.10342353 1.30279080 0.22418405 1\n C C12 1 0.57326585 0.28141103 0.63550781 1\n C C13 1 0.01327876 0.40734581 0.92148774 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48732000\n_cell_length_b 3.60392000\n_cell_length_c 7.31147000\n_cell_angle_alpha 89.56967000\n_cell_angle_beta 99.74808000\n_cell_angle_gamma 69.77962000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.45882407\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09563037 -0.10063120 0.74851806 1\n C C1 1 0.73882344 0.28649488 0.42619038 1\n C C2 1 0.46835707 0.68796024 0.28885602 1\n C C3 1 0.83918839 0.29532548 0.63085650 1\n C C4 1 -0.09484292 0.51846289 0.99145828 1\n C C5 1 0.27362338 0.12711765 0.33467860 1\n C C6 1 0.00303955 0.52837333 0.19706167 1\n C C7 1 0.64982325 0.91345043 0.87373807 1\n C C8 1 0.28321755 0.48224484 0.70588713 1\n C C9 1 0.46292522 0.32944356 0.91719119 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47350000\n_cell_length_b 3.71874000\n_cell_length_c 4.24537000\n_cell_angle_alpha 64.10079000\n_cell_angle_beta 89.89351000\n_cell_angle_gamma 89.77362000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.12787292\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58782430 0.52032319 1.01468568 1\n C C1 1 0.58785322 0.67726591 0.29273059 1\n C C2 1 0.58799541 0.08538557 0.29252044 1\n C C3 1 0.08781915 0.63147747 0.79340391 1\n C C4 1 1.08772250 1.06610804 0.51547417 1\n C C5 1 0.08801162 0.47410902 0.51560290 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50003000\n_cell_length_b 5.44542000\n_cell_length_c 5.72910000\n_cell_angle_alpha 44.71952000\n_cell_angle_beta 64.11974000\n_cell_angle_gamma 62.65984000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.98638359\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70497010 0.05771236 0.79346081 1\n C C1 1 0.21370759 0.48481226 0.85790036 1\n C C2 1 0.65926696 0.97330437 0.42395117 1\n C C3 1 0.73961280 0.27434447 1.04220220 1\n C C4 1 1.07934611 0.97859866 -0.00186288 1\n C C5 1 0.03451124 0.89401312 0.62854382 1\n C C6 1 0.52535899 0.46696657 0.56386950 1\n C C7 1 0.99878630 0.67746558 0.37966262 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.71586000\n_cell_length_b 3.71307000\n_cell_length_c 7.55532000\n_cell_angle_alpha 100.41012000\n_cell_angle_beta 101.97906000\n_cell_angle_gamma 102.11151000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 96.92386080\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20454762 1.06005312 0.65271096 1\n C C1 1 1.01735789 0.05584445 0.46009002 1\n C C2 1 0.13660728 0.71247057 0.23714219 1\n C C3 1 0.75549432 0.50943859 0.65288601 1\n C C4 1 0.62756466 0.43048994 0.94702766 1\n C C5 1 0.52886151 0.33235917 0.74965748 1\n C C6 1 0.12762856 0.93180754 -0.05286309 1\n C C7 1 0.02856336 0.83287675 0.74972364 1\n C C8 1 0.40487463 0.44397375 0.23543387 1\n C C9 1 0.39945597 0.25681077 0.04416547 1\n C C10 1 0.82723976 0.63520258 0.34855126 1\n C C11 1 0.94997846 0.70550850 0.04393184 1\n C C12 1 0.32543536 0.13365990 0.34834045 1\n C C13 1 0.74909532 0.32413317 0.46161303 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46507000\n_cell_length_b 3.36581000\n_cell_length_c 6.40660000\n_cell_angle_alpha 60.68749000\n_cell_angle_beta 84.75125000\n_cell_angle_gamma 101.04065000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.41320579\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.93994328 0.11757562 0.01023519 1\n C C1 1 0.46599002 0.56174365 0.42957192 1\n C C2 1 0.41805024 0.84597399 0.01033669 1\n C C3 1 0.34580369 0.37562928 0.25012491 1\n C C4 1 0.88587504 0.40178352 0.59051799 1\n C C5 1 1.01147347 0.58816972 0.77011845 1\n C C6 1 0.58485201 0.85628539 0.77042494 1\n C C7 1 0.77213775 0.10762903 0.24979811 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48313000\n_cell_length_b 2.53992000\n_cell_length_c 7.44449000\n_cell_angle_alpha 99.07021000\n_cell_angle_beta 89.99483000\n_cell_angle_gamma 90.01013000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.36494418\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51216447 0.89882642 0.61709055 1\n C C1 1 0.51189544 0.56268824 0.97385022 1\n C C2 1 1.01210787 0.28630159 0.38424975 1\n C C3 1 1.01209800 -0.04618229 0.73563788 1\n C C4 1 0.51167300 1.11750858 0.09582571 1\n C C5 1 0.01198083 0.50805243 0.85482915 1\n C C6 1 0.01165072 0.17450049 0.20601917 1\n C C7 1 0.51215236 0.34334434 0.49453687 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43853000\n_cell_length_b 2.55231000\n_cell_length_c 7.30236000\n_cell_angle_alpha 119.38320000\n_cell_angle_beta 90.97232000\n_cell_angle_gamma 89.12253000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.59540005\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40421230 -0.03548274 0.83255309 1\n C C1 1 0.41233063 0.31011407 0.05396933 1\n C C2 1 0.90096511 0.79618770 0.72483832 1\n C C3 1 0.90298540 0.46077818 0.49494994 1\n C C4 1 0.91558094 0.47913729 0.16168254 1\n C C5 1 0.91211253 0.81620899 0.39154458 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48173000\n_cell_length_b 4.21906000\n_cell_length_c 3.68786000\n_cell_angle_alpha 75.01482000\n_cell_angle_beta 70.35961000\n_cell_angle_gamma 90.01655000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96896914\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23149384 0.07514980 0.07279667 1\n C C1 1 -0.02375338 0.50399927 0.58576095 1\n C C2 1 0.77966673 0.58009624 0.98251021 1\n C C3 1 0.45538392 0.28169145 0.62663801 1\n C C4 1 1.20105112 0.71054095 0.13964331 1\n C C5 1 0.65306507 0.20569890 0.22957926 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06924000\n_cell_length_b 5.11018000\n_cell_length_c 5.97296000\n_cell_angle_alpha 57.18923000\n_cell_angle_beta 74.53503000\n_cell_angle_gamma 67.53684000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.54781176\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.08855360 0.78138612 0.38355776 1\n C C1 1 0.43075080 0.43838813 0.77531253 1\n C C2 1 0.03156420 0.82524695 0.99581201 1\n C C3 1 0.37489037 0.48301401 0.38699069 1\n C C4 1 0.90569972 0.95459575 0.73964667 1\n C C5 1 0.59720140 0.27419530 0.62683305 1\n C C6 1 0.86441514 0.98931588 0.14437209 1\n C C7 1 0.55646076 0.30885353 0.03152109 1\n C C8 1 0.10874330 0.75421674 0.62715171 1\n C C9 1 0.35403820 0.50968761 1.14373660 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48325000\n_cell_length_b 8.02292000\n_cell_length_c 6.41138000\n_cell_angle_alpha 57.32610000\n_cell_angle_beta 79.55131000\n_cell_angle_gamma 86.10880000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 105.66784733\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.18664828 0.19392155 0.58617170 1\n C C1 1 1.01430792 0.86992696 0.97060451 1\n C C2 1 -0.10482991 0.83313783 0.45165703 1\n C C3 1 1.07222206 0.26535240 0.75877815 1\n C C4 1 0.98210162 0.61270810 0.64927199 1\n C C5 1 0.48635302 -0.05638437 1.03465470 1\n C C6 1 0.71021377 0.49745391 0.38275542 1\n C C7 1 0.76631653 0.96182917 0.55830035 1\n C C8 1 0.84773307 0.16982425 0.29457209 1\n C C9 1 0.18945747 0.97491681 0.68541682 1\n C C10 1 0.40335717 0.59759680 -0.00278185 1\n C C11 1 0.86875030 0.63912112 0.09460086 1\n C C12 1 0.74115641 0.28402942 0.42660627 1\n C C13 1 0.43515647 0.91174724 0.29118003 1\n C C14 1 0.51160575 0.18092735 0.91617564 1\n C C15 1 0.41263833 0.14210704 0.18228612 1\n C C16 1 0.12271513 0.48750258 0.53574317 1\n C C17 1 0.43741261 0.57951844 0.79981271 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23448000\n_cell_length_b 3.27537000\n_cell_length_c 4.86450000\n_cell_angle_alpha 108.88177000\n_cell_angle_beta 66.76726000\n_cell_angle_gamma 125.15001000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.27184419\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17908123 0.73783675 -0.01163972 1\n C C1 1 0.91569477 0.33055349 0.44593634 1\n C C2 1 0.65987537 0.94119216 0.24773585 1\n C C3 1 0.35981591 0.52964849 0.73656538 1\n C C4 1 0.75769122 0.63557833 0.70396242 1\n C C5 1 0.83915611 0.73042934 0.99617251 1\n C C6 1 0.26210779 0.83565335 0.28031510 1\n C C7 1 1.10417000 0.14080269 0.53843382 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35419000\n_cell_length_b 4.61074000\n_cell_length_c 5.96520000\n_cell_angle_alpha 117.10383000\n_cell_angle_beta 135.44387000\n_cell_angle_gamma 73.04631000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.53707074\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08136827 1.06128965 0.22292850 1\n C C1 1 0.91768631 0.72810044 0.55663898 1\n C C2 1 0.41814888 0.22810293 1.05625820 1\n C C3 1 0.41767562 0.22811332 0.55663687 1\n C C4 1 0.91818923 0.72810930 0.05627443 1\n C C5 1 0.41860873 0.56127680 0.22291641 1\n C C6 1 0.91892305 0.06130689 0.72260356 1\n C C7 1 0.41893686 0.56132047 0.72261625 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44302000\n_cell_length_b 4.54009000\n_cell_length_c 5.41670000\n_cell_angle_alpha 77.00573000\n_cell_angle_beta 89.99742000\n_cell_angle_gamma 89.94810000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.54098715\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54485121 0.68952435 0.74724379 1\n C C1 1 0.54522878 0.05553648 0.75943494 1\n C C2 1 0.04464368 0.50805843 0.17164249 1\n C C3 1 0.04489661 0.59593423 0.61024601 1\n C C4 1 0.04514528 0.22756019 0.35629641 1\n C C5 1 0.54527311 0.12604207 0.01994541 1\n C C6 1 0.54472266 0.48210114 1.00849131 1\n C C7 1 0.04492350 0.71838152 0.33004016 1\n C C8 1 1.04535327 0.02118475 0.19277238 1\n C C9 1 0.04515470 0.22399303 0.62397719 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28677000\n_cell_length_b 3.28767000\n_cell_length_c 4.94587000\n_cell_angle_alpha 112.14005000\n_cell_angle_beta 112.14203000\n_cell_angle_gamma 81.82111000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.85271046\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.19372158 0.75876538 0.43336555 1\n C C1 1 0.83306966 0.11910711 0.93309787 1\n C C2 1 0.19361562 0.47979235 0.61331951 1\n C C3 1 0.83286267 0.11918153 0.43312263 1\n C C4 1 0.19399968 0.75877795 0.93341461 1\n C C5 1 0.19379285 0.47977677 0.11331088 1\n C C6 1 0.55385656 0.11891013 0.61300042 1\n C C7 1 0.55411067 0.11894357 1.11303005 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51594000\n_cell_length_b 3.51879000\n_cell_length_c 4.83753000\n_cell_angle_alpha 43.30761000\n_cell_angle_beta 68.63833000\n_cell_angle_gamma 59.96109000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53767411\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01842437 0.49178988 0.33004799 1\n C C1 1 1.01843003 0.85443036 0.66334612 1\n C C2 1 0.32267788 0.52099402 -0.00323142 1\n C C3 1 0.55441501 0.91977860 0.82987639 1\n C C4 1 0.24990439 0.55750275 0.49658222 1\n C C5 1 0.55428782 0.89072058 0.16306579 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.56806000\n_cell_length_b 3.83082000\n_cell_length_c 5.98470000\n_cell_angle_alpha 78.58714000\n_cell_angle_beta 70.19618000\n_cell_angle_gamma 98.32346000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 73.42620088\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.31606245 0.89349736 0.46176565 1\n C C1 1 0.99806816 0.57746724 0.57416190 1\n C C2 1 0.78527700 0.36656907 0.81590294 1\n C C3 1 0.27614130 0.85635688 1.05839434 1\n C C4 1 0.83281678 0.41060210 0.42525043 1\n C C5 1 0.96007189 0.53807178 0.17070877 1\n C C6 1 0.44198344 0.02258824 0.20730989 1\n C C7 1 0.51856342 0.09515978 0.57371621 1\n C C8 1 0.48813515 0.06900365 0.81680032 1\n C C9 1 0.75700772 0.33672229 0.05893864 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68968000\n_cell_length_b 2.48097000\n_cell_length_c 4.84113000\n_cell_angle_alpha 75.16054000\n_cell_angle_beta 57.38196000\n_cell_angle_gamma 70.32125000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.99046858\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69828852 -0.01038683 0.79970017 1\n C C1 1 0.64243760 0.73029993 0.37118504 1\n C C2 1 -0.06277204 0.76877177 1.00625954 1\n C C3 1 0.35476809 0.30867898 0.50221030 1\n C C4 1 0.22510499 0.19028174 0.87520636 1\n C C5 1 0.88121063 0.50919930 0.57746109 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33061000\n_cell_length_b 3.99620000\n_cell_length_c 8.78744000\n_cell_angle_alpha 101.14864000\n_cell_angle_beta 103.70511000\n_cell_angle_gamma 104.27346000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 106.11109930\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32335503 0.83337572 0.15731704 1\n C C1 1 0.64226844 0.74302994 0.93721706 1\n C C2 1 -0.00647929 0.57290140 0.61623885 1\n C C3 1 0.51645894 1.04186343 0.44305193 1\n C C4 1 -0.05232289 0.45084158 0.31361754 1\n C C5 1 0.35570345 0.21534464 0.02175355 1\n C C6 1 0.50951767 0.07674153 0.60600134 1\n C C7 1 0.71620520 0.16287200 0.16168560 1\n C C8 1 0.49124112 1.05380791 0.87028341 1\n C C9 1 0.81737815 0.37881360 0.70779581 1\n C C10 1 0.99594350 -0.00159386 0.07710233 1\n C C11 1 -0.16334946 0.36725777 0.44851104 1\n C C12 1 0.26993542 0.75248488 0.30986565 1\n C C13 1 0.82814517 0.43887346 0.87615639 1\n C C14 1 0.27883404 0.90388267 0.69107938 1\n C C15 1 0.28883071 0.55479013 0.00265618 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48799000\n_cell_length_b 2.48748000\n_cell_length_c 6.57602000\n_cell_angle_alpha 100.91713000\n_cell_angle_beta 67.76132000\n_cell_angle_gamma 120.04839000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.60772729\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27675384 0.75028420 0.55037794 1\n C C1 1 1.02620811 0.75021252 0.80060776 1\n C C2 1 0.27657269 0.08382498 0.21735855 1\n C C3 1 0.27602419 0.41700252 0.88419674 1\n C C4 1 1.02602985 0.41703783 0.13439135 1\n C C5 1 0.02654242 0.08353705 0.46728066 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45415000\n_cell_length_b 4.18098000\n_cell_length_c 7.72785000\n_cell_angle_alpha 85.11369000\n_cell_angle_beta 69.53137000\n_cell_angle_gamma 90.01616000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.97886390\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67146679 0.58561474 0.59381127 1\n C C1 1 1.07163512 0.81677556 0.22861033 1\n C C2 1 0.81742722 0.17825272 0.91317606 1\n C C3 1 0.22320064 0.40817308 0.54618891 1\n C C4 1 0.14745748 0.05694761 0.61508270 1\n C C5 1 0.31904651 0.34327112 0.91174175 1\n C C6 1 0.43303435 0.66977211 0.81192876 1\n C C7 1 0.92990312 0.87855533 0.81474427 1\n C C8 1 0.46135885 0.32534246 0.32892205 1\n C C9 1 0.96485661 0.11704679 0.32563901 1\n C C10 1 0.74606121 0.93703977 0.52545874 1\n C C11 1 0.56960660 0.65180621 0.23044186 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.69374000\n_cell_length_b 4.13908000\n_cell_length_c 4.66632000\n_cell_angle_alpha 80.02250000\n_cell_angle_beta 60.24948000\n_cell_angle_gamma 73.11280000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.23133739\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67607360 0.02551597 0.78753437 1\n C C1 1 0.22509807 0.47605389 0.23781416 1\n C C2 1 0.51462206 0.18508450 0.07880112 1\n C C3 1 0.22958257 0.47277005 0.55114692 1\n C C4 1 0.70202900 0.99912592 0.26628164 1\n C C5 1 -0.00699065 0.70990924 0.10510340 1\n C C6 1 0.98750120 0.71424887 0.79224119 1\n C C7 1 0.54106264 0.16125205 0.55647412 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42606000\n_cell_length_b 4.22038000\n_cell_length_c 4.22401000\n_cell_angle_alpha 91.37219000\n_cell_angle_beta 89.98709000\n_cell_angle_gamma 89.92032000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.23674951\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02580211 0.58735590 0.31321777 1\n C C1 1 0.47360790 0.15897578 0.74508398 1\n C C2 1 0.97349720 0.18097415 0.90171609 1\n C C3 1 0.47386066 0.09318241 0.39720467 1\n C C4 1 0.47407602 0.74385177 0.33926478 1\n C C5 1 0.97382023 0.23875289 0.25075290 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47994000\n_cell_length_b 3.68959000\n_cell_length_c 4.21909000\n_cell_angle_alpha 104.90194000\n_cell_angle_beta 90.00187000\n_cell_angle_gamma 109.72363000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.95712913\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.99693310 0.57831054 0.38139291 1\n C C1 1 0.73713466 1.06370123 0.80985870 1\n C C2 1 0.31534325 0.21993625 0.67876725 1\n C C3 1 0.51698482 0.61792406 0.60321320 1\n C C4 1 0.77474098 0.13288583 0.17489980 1\n C C5 1 0.19598299 0.97567468 0.30560984 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.34952000\n_cell_length_b 3.59276000\n_cell_length_c 4.20825000\n_cell_angle_alpha 92.67813000\n_cell_angle_beta 101.51639000\n_cell_angle_gamma 111.94701000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.23259103\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63972630 0.66126626 0.76515472 1\n C C1 1 0.31540420 0.66770707 -0.23773420 1\n C C2 1 0.69250755 0.42267657 0.51716615 1\n C C3 1 0.93046745 0.89850877 0.99332750 1\n C C4 1 1.07590855 0.19265073 0.28386259 1\n C C5 1 0.40326671 0.19310566 0.28430021 1\n C C6 1 0.25791270 -0.10048833 0.99358827 1\n C C7 1 0.01748083 0.41872438 0.51905888 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48684000\n_cell_length_b 3.95462000\n_cell_length_c 6.25460000\n_cell_angle_alpha 113.18509000\n_cell_angle_beta 90.00682000\n_cell_angle_gamma 90.02497000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.54314565\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27083810 0.17190923 0.35100445 1\n C C1 1 0.77104421 0.34813149 0.08318689 1\n C C2 1 0.77062555 0.63890630 0.32840565 1\n C C3 1 0.27125146 0.72459786 0.88831611 1\n C C4 1 0.27070574 0.57106176 0.44260451 1\n C C5 1 0.77083913 0.03790958 0.41976230 1\n C C6 1 0.27119367 0.86197499 0.68772952 1\n C C7 1 -0.22868273 0.48486436 0.88242126 1\n C C8 1 0.27100388 0.11480654 0.08917789 1\n C C9 1 0.77128910 0.09516440 0.68172883 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.95113000\n_cell_length_b 2.42773000\n_cell_length_c 6.41858000\n_cell_angle_alpha 100.86249000\n_cell_angle_beta 82.48177000\n_cell_angle_gamma 101.17566000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.09305949\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89559472 0.88793425 0.93366644 1\n C C1 1 0.89551367 0.22198014 0.60074238 1\n C C2 1 -0.10490746 0.33292225 0.82319067 1\n C C3 1 0.89571901 0.66674373 0.48930328 1\n C C4 1 0.89533336 0.99995599 0.15603671 1\n C C5 1 0.89584970 0.55515184 0.26684912 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.44746000\n_cell_length_b 3.44872000\n_cell_length_c 6.52507000\n_cell_angle_alpha 99.86287000\n_cell_angle_beta 80.15898000\n_cell_angle_gamma 93.14168000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 75.28141640\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54058631 0.19073038 0.89218381 1\n C C1 1 0.41596283 0.29152403 0.35422440 1\n C C2 1 0.93747702 0.81180057 0.35413948 1\n C C3 1 0.84019211 0.38898560 0.02368404 1\n C C4 1 0.20757515 1.02084791 0.22805897 1\n C C5 1 0.16381366 0.06535885 1.01707784 1\n C C6 1 0.69760246 0.53060208 0.25500084 1\n C C7 1 0.41576359 0.48103881 0.75840100 1\n C C8 1 1.28237109 0.24392244 0.56823512 1\n C C9 1 -0.01566395 0.94675579 0.56826416 1\n C C10 1 0.03764134 0.68824877 0.89222390 1\n C C11 1 0.74718539 0.81246806 0.75836563 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.88225000\n_cell_length_b 4.83117000\n_cell_length_c 3.63849000\n_cell_angle_alpha 77.64770000\n_cell_angle_beta 106.13195000\n_cell_angle_gamma 72.50959000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.90555770\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61144109 0.31689305 0.56781246 1\n C C1 1 0.29865493 0.62557924 0.41072192 1\n C C2 1 1.10497071 0.81700874 0.62561472 1\n C C3 1 0.10397360 0.81648877 1.00578582 1\n C C4 1 0.80528984 0.12520246 0.35310972 1\n C C5 1 0.80553332 0.12587854 -0.02750944 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45979000\n_cell_length_b 3.17883000\n_cell_length_c 9.97785000\n_cell_angle_alpha 109.18030000\n_cell_angle_beta 97.10015000\n_cell_angle_gamma 67.15082000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 67.90541918\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78256688 0.17705486 0.49656392 1\n C C1 1 0.28215116 0.10182707 0.42047263 1\n C C2 1 0.60210701 0.10981237 0.06986075 1\n C C3 1 0.28470055 0.53771772 0.86279033 1\n C C4 1 0.78225853 0.32186867 0.64175993 1\n C C5 1 0.28147060 0.95904638 0.27668399 1\n C C6 1 0.28312508 0.39672272 0.71858188 1\n C C7 1 0.78217928 0.87453709 0.19392103 1\n C C8 1 0.78452157 0.62145918 0.94592363 1\n C C9 1 -0.03674076 0.38637133 0.07019990 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.17732000\n_cell_length_b 3.29731000\n_cell_length_c 4.82582000\n_cell_angle_alpha 99.19695000\n_cell_angle_beta 74.06833000\n_cell_angle_gamma 68.76414000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.37806987\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97003143 1.12929792 0.93967979 1\n C C1 1 0.18230624 0.91729657 0.13439988 1\n C C2 1 0.58622314 0.51200297 0.94028665 1\n C C3 1 0.23869370 -0.14125433 0.63619666 1\n C C4 1 0.02723472 0.07125952 0.44129828 1\n C C5 1 0.62387457 0.47701936 0.63546174 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48488000\n_cell_length_b 3.82536000\n_cell_length_c 5.96716000\n_cell_angle_alpha 111.50366000\n_cell_angle_beta 77.98361000\n_cell_angle_gamma 71.05797000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.33715090\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26332478 0.96160217 0.76944395 1\n C C1 1 0.40648654 0.61576354 0.82738495 1\n C C2 1 0.87986191 0.89200457 0.60460136 1\n C C3 1 -0.05138486 0.31283800 0.04827093 1\n C C4 1 0.21649743 0.37995785 0.44198860 1\n C C5 1 0.45311357 0.19731383 0.15486880 1\n C C6 1 0.72076875 0.26436224 0.54877089 1\n C C7 1 0.79009058 0.68492021 0.99221581 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45837000\n_cell_length_b 6.19050000\n_cell_length_c 8.20377000\n_cell_angle_alpha 100.85562000\n_cell_angle_beta 89.98328000\n_cell_angle_gamma 78.56458000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 120.08927287\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92493376 0.83948408 0.80120674 1\n C C1 1 0.15572561 0.37725370 0.66725379 1\n C C2 1 0.27390581 0.14585401 0.52862305 1\n C C3 1 0.48232476 0.72313514 0.73437265 1\n C C4 1 0.79899164 1.08877816 0.78967291 1\n C C5 1 0.72118955 0.24427249 0.30509116 1\n C C6 1 0.21472593 0.25084093 0.04847626 1\n C C7 1 1.45399316 0.78559776 0.06137171 1\n C C8 1 0.18541306 0.31656698 0.23486321 1\n C C9 1 0.93501085 0.82532831 0.98775034 1\n C C10 1 0.51687016 0.65567042 0.18752006 1\n C C11 1 0.59458036 0.50050539 0.68424586 1\n C C12 1 0.27109944 0.14704580 0.70721259 1\n C C13 1 -0.26397903 0.20658800 -0.03203515 1\n C C14 1 0.77340621 0.14684086 0.43736262 1\n C C15 1 1.06227153 0.56188266 0.22329881 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51179000\n_cell_length_b 4.17132000\n_cell_length_c 5.62851000\n_cell_angle_alpha 89.95913000\n_cell_angle_beta 90.06182000\n_cell_angle_gamma 90.00408000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.97255071\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90191388 0.97895476 0.08764181 1\n C C1 1 0.40000197 0.60630931 0.71581270 1\n C C2 1 0.39979283 0.98025762 0.71525309 1\n C C3 1 0.40196972 0.47570272 0.21711091 1\n C C4 1 0.90007427 0.10989978 0.83368394 1\n C C5 1 -0.09804365 0.60752794 0.08787257 1\n C C6 1 0.39947384 0.63279449 0.45020974 1\n C C7 1 0.40193988 0.11020914 0.21696184 1\n C C8 1 0.39917317 0.95060783 0.44983388 1\n C C9 1 0.90030609 0.47716421 0.83412993 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26605000\n_cell_length_b 3.63369000\n_cell_length_c 3.28002000\n_cell_angle_alpha 75.43993000\n_cell_angle_beta 99.19796000\n_cell_angle_gamma 104.51170000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.27913649\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68278849 0.64925323 0.23200530 1\n C C1 1 0.62847682 1.03111374 0.96595087 1\n C C2 1 0.04339721 0.64922328 0.59391820 1\n C C3 1 0.89642220 0.41290899 0.02055252 1\n C C4 1 0.31143697 0.03096613 0.64903218 1\n C C5 1 0.25729071 0.41298114 0.38183203 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.57452000\n_cell_length_b 3.26278000\n_cell_length_c 4.90741000\n_cell_angle_alpha 110.35615000\n_cell_angle_beta 70.98228000\n_cell_angle_gamma 103.56465000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.25481052\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.81262457 0.68971791 0.57626390 1\n C C1 1 0.63236362 0.55133953 0.82868572 1\n C C2 1 0.33519142 1.14928003 0.31547325 1\n C C3 1 0.15133334 1.01428557 0.56870335 1\n C C4 1 0.23638275 0.28987148 -0.14055999 1\n C C5 1 0.88881531 0.61507166 0.02610072 1\n C C6 1 0.07906551 0.08564070 0.11793157 1\n C C7 1 0.73208609 0.40991102 0.28428919 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45594000\n_cell_length_b 4.62324000\n_cell_length_c 4.23653000\n_cell_angle_alpha 107.23192000\n_cell_angle_beta 89.99238000\n_cell_angle_gamma 105.40495000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.13190950\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71358597 0.66229484 1.12086068 1\n C C1 1 0.11335285 0.15575056 0.02623319 1\n C C2 1 0.87161887 0.31680649 0.57813037 1\n C C3 1 0.28962803 0.15319576 0.38981674 1\n C C4 1 0.19387535 0.68282659 0.63736783 1\n C C5 1 0.78851275 0.80825118 0.84738444 1\n C C6 1 0.69267879 0.31460670 0.94151658 1\n C C7 1 0.24370859 0.78751147 0.33090197 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44818000\n_cell_length_b 3.49991000\n_cell_length_c 7.98931000\n_cell_angle_alpha 74.10495000\n_cell_angle_beta 72.20941000\n_cell_angle_gamma 69.49331000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.97377523\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70851054 0.48224814 0.16495188 1\n C C1 1 0.34674501 0.55422174 0.49332182 1\n C C2 1 0.25901751 0.97464263 0.36966520 1\n C C3 1 0.81791579 0.08494361 0.75508445 1\n C C4 1 0.46311390 0.79478472 0.75477841 1\n C C5 1 0.47932503 0.90016368 0.18438728 1\n C C6 1 0.37789232 0.31454255 0.07890800 1\n C C7 1 0.62699512 0.24486496 0.36627878 1\n C C8 1 0.53933457 0.38361786 0.88459055 1\n C C9 1 0.75679000 0.50288373 0.60909113 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45850000\n_cell_length_b 4.51948000\n_cell_length_c 7.04430000\n_cell_angle_alpha 113.90988000\n_cell_angle_beta 81.68414000\n_cell_angle_gamma 81.21592000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.84178141\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.06738695 1.14772142 0.20317427 1\n C C1 1 -0.12882657 0.23718720 0.44409418 1\n C C2 1 0.29834357 0.44732330 0.89246804 1\n C C3 1 0.59525556 1.10463272 0.75555486 1\n C C4 1 0.39275198 0.72138269 0.43863028 1\n C C5 1 0.23056410 0.64809065 0.76864459 1\n C C6 1 0.53682996 0.95356907 0.08751722 1\n C C7 1 0.64484897 0.86841799 0.84710134 1\n C C8 1 0.32523672 0.46738251 0.53347484 1\n C C9 1 0.70359390 0.57857291 0.04217579 1\n C C10 1 0.68110403 0.49211547 0.21790471 1\n C C11 1 0.82396034 0.96065976 0.51968878 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.72224000\n_cell_length_b 5.07803000\n_cell_length_c 4.25496000\n_cell_angle_alpha 98.24657000\n_cell_angle_beta 92.39281000\n_cell_angle_gamma 120.04992000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.63348470\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55355746 0.54683251 0.99039243 1\n C C1 1 -0.04195392 0.18264520 0.35708810 1\n C C2 1 0.05292245 0.85920427 0.68416800 1\n C C3 1 0.25738491 0.75518359 0.78811664 1\n C C4 1 0.74381863 0.75486002 0.78787345 1\n C C5 1 0.23974798 0.54696327 -0.00909124 1\n C C6 1 0.65868103 0.07078205 0.47180267 1\n C C7 1 0.16414889 0.08180771 0.46417058 1\n C C8 1 0.55745534 0.86861747 0.67545484 1\n C C9 1 0.97433051 0.38808207 0.15114653 1\n C C10 1 0.47167489 1.18335144 0.35722048 1\n C C11 1 0.66068362 0.38827779 1.15153882 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43197000\n_cell_length_b 3.93315000\n_cell_length_c 6.30106000\n_cell_angle_alpha 108.28463000\n_cell_angle_beta 90.47968000\n_cell_angle_gamma 90.73185000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.21888405\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42097979 0.12561263 0.86846110 1\n C C1 1 0.42104524 0.46307399 0.53698242 1\n C C2 1 0.42102930 -0.03722109 0.03684596 1\n C C3 1 0.92095626 0.87525725 0.11827141 1\n C C4 1 0.92101450 0.21315739 0.78703399 1\n C C5 1 -0.07903103 0.71271277 0.28677659 1\n C C6 1 0.92102475 0.37575609 0.61852370 1\n C C7 1 0.42101240 0.62539207 0.36831664 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48073000\n_cell_length_b 5.03957000\n_cell_length_c 6.00232000\n_cell_angle_alpha 60.37949000\n_cell_angle_beta 65.57458000\n_cell_angle_gamma 89.97422000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.38997683\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15610990 -0.09107843 0.87799395 1\n C C1 1 0.07360311 0.21082318 0.46003773 1\n C C2 1 0.47205081 0.00737567 0.56175400 1\n C C3 1 0.93388468 0.39571981 0.60165009 1\n C C4 1 0.24011963 0.26643646 0.79453489 1\n C C5 1 0.69232926 0.90917201 0.34361868 1\n C C6 1 1.19527326 0.74068964 0.34091224 1\n C C7 1 0.39995586 0.39543913 0.13336485 1\n C C8 1 -0.03600655 0.26626931 0.06976593 1\n C C9 1 0.48508505 0.74042683 0.04908364 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42990000\n_cell_length_b 2.43013000\n_cell_length_c 8.48728000\n_cell_angle_alpha 82.03271000\n_cell_angle_beta 90.34702000\n_cell_angle_gamma 59.98448000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.81063590\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86808168 0.18798777 0.54311040 1\n C C1 1 0.13390208 0.71980361 0.21038231 1\n C C2 1 0.33279132 0.29035772 0.87701046 1\n C C3 1 0.53474852 -0.14532369 0.54314787 1\n C C4 1 0.46717349 1.05323130 0.21032749 1\n C C5 1 0.66582821 0.62416369 0.87638526 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47147000\n_cell_length_b 6.09258000\n_cell_length_c 6.49188000\n_cell_angle_alpha 44.44821000\n_cell_angle_beta 78.70084000\n_cell_angle_gamma 81.74499000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.12470016\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.11329154 0.16217175 0.08202414 1\n C C1 1 0.50140627 0.66369886 0.40294985 1\n C C2 1 0.33857310 0.31566831 0.06204699 1\n C C3 1 0.90804537 0.14331867 -0.14213696 1\n C C4 1 0.30546462 0.67487214 0.82473622 1\n C C5 1 0.70706896 0.17523567 0.48790011 1\n C C6 1 0.82678865 0.83079693 0.63703327 1\n C C7 1 0.93392059 0.81774847 0.39840535 1\n C C8 1 1.25710459 0.66481640 0.07028156 1\n C C9 1 0.49028034 0.28090258 0.65598271 1\n C C10 1 0.71653593 0.78644905 0.09246792 1\n C C11 1 0.25294321 0.31377017 0.30159062 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28846000\n_cell_length_b 3.28737000\n_cell_length_c 4.96873000\n_cell_angle_alpha 67.55358000\n_cell_angle_beta 67.56229000\n_cell_angle_gamma 81.79507000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.88574660\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37219732 0.87779618 1.06711096 1\n C C1 1 0.01179951 0.23846381 0.06702620 1\n C C2 1 0.33117057 0.55816907 0.38713652 1\n C C3 1 0.83112252 1.05810242 0.88711773 1\n C C4 1 0.51183640 0.73855338 0.56700485 1\n C C5 1 0.19224440 0.69768015 -0.11308947 1\n C C6 1 0.69229936 0.19774815 0.38693204 1\n C C7 1 0.87225644 0.37785394 0.56710758 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27165000\n_cell_length_b 3.27318000\n_cell_length_c 3.63278000\n_cell_angle_alpha 75.46016000\n_cell_angle_beta 104.51593000\n_cell_angle_gamma 99.20062000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.25867334\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76360411 0.94593597 1.08610120 1\n C C1 1 0.17818089 0.57437025 0.70394104 1\n C C2 1 0.81774683 0.21316290 0.70421705 1\n C C3 1 0.03025813 0.99985572 0.46806337 1\n C C4 1 0.44676244 0.62836340 0.08598766 1\n C C5 1 0.39191100 0.36032195 0.46810838 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52219000\n_cell_length_b 4.18863000\n_cell_length_c 5.49420000\n_cell_angle_alpha 122.19953000\n_cell_angle_beta 133.49901000\n_cell_angle_gamma 72.38619000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.43293064\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84408082 1.01501683 0.51036530 1\n C C1 1 0.38149613 -0.02783312 0.85482240 1\n C C2 1 0.60592322 0.35999908 0.46674997 1\n C C3 1 0.75032757 0.33994546 0.22344627 1\n C C4 1 0.51276401 0.68499370 0.18000348 1\n C C5 1 0.97516555 0.72775745 0.83548928 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45198000\n_cell_length_b 4.91783000\n_cell_length_c 4.85813000\n_cell_angle_alpha 90.01902000\n_cell_angle_beta 89.98929000\n_cell_angle_gamma 90.00460000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.58137142\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04483563 0.61381039 0.09630170 1\n C C1 1 0.04460639 0.42397849 0.33486642 1\n C C2 1 1.04474445 0.59475000 0.59632038 1\n C C3 1 0.04489539 0.42383441 0.85689274 1\n C C4 1 0.54469202 0.96176734 0.34252610 1\n C C5 1 0.54487648 0.96168554 0.85081713 1\n C C6 1 0.54455180 0.25197505 0.26771092 1\n C C7 1 0.54484735 0.25192922 0.92509058 1\n C C8 1 0.54476334 0.79797300 0.59667204 1\n C C9 1 0.54487033 0.79186365 0.09664739 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27404000\n_cell_length_b 3.63407000\n_cell_length_c 3.26571000\n_cell_angle_alpha 104.51172000\n_cell_angle_beta 80.85378000\n_cell_angle_gamma 104.57599000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.21421731\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65338446 0.41607469 0.60930314 1\n C C1 1 0.06879068 0.03477831 -0.01950281 1\n C C2 1 1.01482126 0.41674190 0.24848542 1\n C C3 1 0.80075619 0.65312538 0.03608233 1\n C C4 1 0.44049793 0.65276031 0.39799300 1\n C C5 1 0.38684578 1.03442062 0.66428792 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.58416000\n_cell_length_b 4.83266000\n_cell_length_c 5.89329000\n_cell_angle_alpha 113.68571000\n_cell_angle_beta 96.25411000\n_cell_angle_gamma 70.77839000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.61749220\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01305825 0.80448782 0.07503211 1\n C C1 1 0.83694936 0.27995420 0.46287404 1\n C C2 1 0.96754795 0.02905126 0.55490691 1\n C C3 1 -0.06570099 0.78569903 0.81697224 1\n C C4 1 0.60511258 0.67063058 0.15737328 1\n C C5 1 0.89852219 1.08419116 0.81522460 1\n C C6 1 0.83310528 0.15768942 0.21002978 1\n C C7 1 0.80882765 0.59533374 0.58311999 1\n C C8 1 0.60180234 0.80923895 0.44537378 1\n C C9 1 0.78763770 0.31810795 0.05416664 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51440000\n_cell_length_b 4.79786000\n_cell_length_c 5.85530000\n_cell_angle_alpha 72.18363000\n_cell_angle_beta 102.00798000\n_cell_angle_gamma 74.56527000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.51434310\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28429493 1.01856473 0.49121674 1\n C C1 1 0.20955262 0.26920962 0.59276953 1\n C C2 1 -0.06381662 0.80405949 0.57766722 1\n C C3 1 1.06352519 0.16331756 0.19616273 1\n C C4 1 0.78419625 0.71257721 0.18199207 1\n C C5 1 0.57343212 0.04904433 0.09491556 1\n C C6 1 0.79705381 0.52925009 1.02609192 1\n C C7 1 0.19529801 0.56731370 0.85546303 1\n C C8 1 0.34264728 0.25660252 0.83303584 1\n C C9 1 0.97307462 0.58537685 0.43762367 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.21755000\n_cell_length_b 2.48139000\n_cell_length_c 3.68852000\n_cell_angle_alpha 70.36585000\n_cell_angle_beta 75.08677000\n_cell_angle_gamma 89.93136000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97818120\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91291240 0.05652346 0.27434603 1\n C C1 1 0.53947401 0.93678581 0.51910681 1\n C C2 1 -0.16227161 0.25685251 0.87623731 1\n C C3 1 0.40884133 0.51538524 0.36176646 1\n C C4 1 0.61519957 0.73665161 0.91665817 1\n C C5 1 0.04392102 0.47826867 0.43085362 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29445000\n_cell_length_b 4.77365000\n_cell_length_c 6.07288000\n_cell_angle_alpha 60.89419000\n_cell_angle_beta 91.73116000\n_cell_angle_gamma 80.39109000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 81.58370790\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43553507 0.00745099 0.80163102 1\n C C1 1 0.05183798 0.26460043 0.24887433 1\n C C2 1 0.00369673 0.71639822 0.51412738 1\n C C3 1 0.34947012 0.69400203 0.91268074 1\n C C4 1 0.15777614 0.57661445 0.14208112 1\n C C5 1 0.38709304 0.53257000 0.75723902 1\n C C6 1 1.14470300 1.08624354 0.12625286 1\n C C7 1 1.20398368 0.23583082 0.86901326 1\n C C8 1 0.88862783 0.06402743 0.46909400 1\n C C9 1 0.10969721 0.76719222 0.26272847 1\n C C10 1 0.68680151 0.17038157 0.61910916 1\n C C11 1 0.78120970 0.43575130 0.66929734 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.13547000\n_cell_length_b 3.22848000\n_cell_length_c 4.81606000\n_cell_angle_alpha 100.83574000\n_cell_angle_beta 104.40642000\n_cell_angle_gamma 109.92243000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.35463231\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48961157 0.08919229 0.48184950 1\n C C1 1 0.87439875 0.47088387 0.48243577 1\n C C2 1 0.52381627 1.12372253 0.78630641 1\n C C3 1 0.92805146 0.52928099 0.98070357 1\n C C4 1 0.08730035 0.68215506 0.28761452 1\n C C5 1 0.14202760 0.73958995 0.78587513 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.53990000\n_cell_length_b 2.47129000\n_cell_length_c 8.11670000\n_cell_angle_alpha 89.93620000\n_cell_angle_beta 107.69076000\n_cell_angle_gamma 90.18143000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.53763294\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70706586 0.93412371 0.95718980 1\n C C1 1 0.59743721 0.43402181 0.84480848 1\n C C2 1 1.32008572 -0.06601289 0.07456837 1\n C C3 1 -0.01538006 0.43378297 0.72752740 1\n C C4 1 0.60677999 0.43361277 0.35526500 1\n C C5 1 0.42345422 0.43391156 0.17815426 1\n C C6 1 -0.11746355 0.93375574 0.62401470 1\n C C7 1 -0.29953029 -0.06635768 0.44686260 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.66987000\n_cell_length_b 4.24325000\n_cell_length_c 4.88781000\n_cell_angle_alpha 90.07321000\n_cell_angle_beta 85.13135000\n_cell_angle_gamma 67.39344000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.96462538\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.30650543 0.64314690 -0.21133865 1\n C C1 1 0.25006833 0.67108851 0.28556964 1\n C C2 1 0.19068308 0.17721985 0.53227337 1\n C C3 1 0.33794235 0.13413401 0.02346333 1\n C C4 1 0.79352072 0.20343106 0.47390873 1\n C C5 1 0.37065753 0.44510628 0.52847799 1\n C C6 1 0.82707701 0.90958647 0.34706165 1\n C C7 1 0.28753471 0.98165778 0.79037617 1\n C C8 1 0.31221221 0.47453031 0.02518335 1\n C C9 1 0.43050813 0.93903744 0.28157303 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48486000\n_cell_length_b 4.08756000\n_cell_length_c 4.67755000\n_cell_angle_alpha 83.30335000\n_cell_angle_beta 74.56200000\n_cell_angle_gamma 89.98767000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45971087\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.27089240 0.78163936 0.24154755 1\n C C1 1 0.38095794 0.53915845 0.01518899 1\n C C2 1 0.59745864 0.07574135 0.58573874 1\n C C3 1 -0.11815443 0.31449385 0.01318199 1\n C C4 1 0.11270328 0.60143340 0.55637228 1\n C C5 1 -0.23041942 0.00806189 0.24376939 1\n C C6 1 0.54025094 0.72029404 0.70026880 1\n C C7 1 1.05323136 0.24549457 0.67207835 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.36023000\n_cell_length_b 3.76123000\n_cell_length_c 4.56396000\n_cell_angle_alpha 92.16938000\n_cell_angle_beta 90.44209000\n_cell_angle_gamma 92.52722000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.58210707\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.14279500 0.85468464 0.90604316 1\n C C1 1 -0.00293015 0.16744679 0.05681198 1\n C C2 1 0.36995858 0.35001159 0.67480881 1\n C C3 1 0.59717090 0.85268678 0.44137380 1\n C C4 1 0.14115948 0.48067236 -0.09477465 1\n C C5 1 0.37045841 0.98358229 0.67375749 1\n C C6 1 0.59544410 0.47869675 0.44052125 1\n C C7 1 0.74441337 0.16627461 0.29185135 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47342000\n_cell_length_b 3.26016000\n_cell_length_c 8.31729000\n_cell_angle_alpha 85.42830000\n_cell_angle_beta 98.54798000\n_cell_angle_gamma 112.35931000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.31737779\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.13761063 0.15306663 0.87450684 1\n C C1 1 0.97872591 0.52468554 0.73690615 1\n C C2 1 1.32853667 0.47843563 0.48006161 1\n C C3 1 0.89379049 0.84508616 0.24504519 1\n C C4 1 0.53372076 0.12329039 0.24557036 1\n C C5 1 0.77831009 0.47385701 0.38347296 1\n C C6 1 0.22232599 0.87478453 -0.12599311 1\n C C7 1 0.65145609 0.49424368 0.11152503 1\n C C8 1 0.10550940 0.50358126 1.00862757 1\n C C9 1 0.42904862 0.52066387 0.64037349 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45939000\n_cell_length_b 4.54314000\n_cell_length_c 6.68252000\n_cell_angle_alpha 105.86104000\n_cell_angle_beta 89.99764000\n_cell_angle_gamma 105.74495000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.90664808\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.00513200 0.45410495 0.72452515 1\n C C1 1 0.82884419 0.10280905 0.70330426 1\n C C2 1 0.72064145 -0.10913967 0.24898389 1\n C C3 1 0.29595220 0.04154804 0.36855268 1\n C C4 1 0.48271861 0.41757285 0.40897790 1\n C C5 1 0.05838310 0.56793075 0.53689696 1\n C C6 1 0.83530851 0.11494862 0.92855446 1\n C C7 1 0.53609474 0.52119448 0.21352786 1\n C C8 1 0.70432591 0.85168027 1.01218074 1\n C C9 1 0.24771778 -0.05756344 0.57765608 1\n C C10 1 -0.01148063 0.42657361 0.07658902 1\n C C11 1 1.10157735 0.64608840 0.94069091 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44598000\n_cell_length_b 4.16683000\n_cell_length_c 8.52931000\n_cell_angle_alpha 81.24061000\n_cell_angle_beta 81.72826000\n_cell_angle_gamma 90.00995000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 85.00119582\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.04182308 1.01791420 0.54148444 1\n C C1 1 0.45120546 0.28770874 0.72945360 1\n C C2 1 0.28897428 0.18515796 0.05317525 1\n C C3 1 0.79244278 0.34367802 1.04647435 1\n C C4 1 -0.03778749 0.10718807 0.70587878 1\n C C5 1 -0.08943779 0.74962977 0.81055291 1\n C C6 1 0.43257776 0.58438109 0.76822801 1\n C C7 1 0.27941253 0.82746113 0.07273446 1\n C C8 1 0.64946800 0.81639465 0.32798444 1\n C C9 1 0.18896455 0.77832650 0.25222421 1\n C C10 1 0.81358861 0.69838834 0.00262251 1\n C C11 1 0.57515271 -0.05240368 0.47425686 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32011000\n_cell_length_b 3.32400000\n_cell_length_c 5.44206000\n_cell_angle_alpha 52.87146000\n_cell_angle_beta 86.22177000\n_cell_angle_gamma 83.32004000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.55812783\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01168070 0.73852727 0.84620621 1\n C C1 1 0.40710685 0.32559451 0.36303449 1\n C C2 1 0.65828289 0.09170620 0.84635421 1\n C C3 1 0.28468572 0.17760751 0.67954405 1\n C C4 1 0.76284113 -0.02964887 0.36323331 1\n C C5 1 0.03364451 0.41105227 0.19609622 1\n C C6 1 0.92953428 0.53233474 0.67914642 1\n C C7 1 0.68080412 0.76405597 0.19606720 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42923000\n_cell_length_b 3.69707000\n_cell_length_c 5.90468000\n_cell_angle_alpha 84.20840000\n_cell_angle_beta 109.60033000\n_cell_angle_gamma 116.75026000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.53161778\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70736336 0.19073441 0.55968924 1\n C C1 1 0.37434994 -0.03154200 0.33812302 1\n C C2 1 0.70739565 0.52411167 0.89303732 1\n C C3 1 0.70737735 0.85743147 0.22634729 1\n C C4 1 0.37436824 0.63513820 0.00481304 1\n C C5 1 0.37438222 0.30183526 0.67147110 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.40716000\n_cell_length_b 3.88737000\n_cell_length_c 6.40765000\n_cell_angle_alpha 46.29774000\n_cell_angle_beta 66.97052000\n_cell_angle_gamma 71.14692000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.28669703\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.91156663 0.77550913 0.07604543 1\n C C1 1 0.26333928 0.38654629 0.86834685 1\n C C2 1 0.25145663 0.79871157 0.36158867 1\n C C3 1 0.98199905 0.02598936 0.15108313 1\n C C4 1 0.56945896 0.41134833 0.35420675 1\n C C5 1 0.33541824 0.63721874 0.94266965 1\n C C6 1 0.52359212 0.21855020 0.21929976 1\n C C7 1 0.72264368 0.19406888 0.79980633 1\n C C8 1 0.99453805 0.61372146 0.65761549 1\n C C9 1 0.67787287 1.00146905 0.66446364 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48822000\n_cell_length_b 2.48758000\n_cell_length_c 6.57657000\n_cell_angle_alpha 100.91173000\n_cell_angle_beta 67.75512000\n_cell_angle_gamma 120.03645000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61726727\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78045333 0.98604904 0.76585942 1\n C C1 1 0.03129011 0.98616225 0.51545813 1\n C C2 1 0.78137728 0.31943038 0.43203923 1\n C C3 1 0.78051183 0.65222662 1.09926512 1\n C C4 1 0.03129989 0.31898234 0.18201079 1\n C C5 1 1.03045306 0.65278957 0.84928022 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46609000\n_cell_length_b 3.31137000\n_cell_length_c 6.68221000\n_cell_angle_alpha 73.40150000\n_cell_angle_beta 75.91893000\n_cell_angle_gamma 76.18333000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.87413118\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12262096 0.36286061 0.87361634 1\n C C1 1 0.54696199 0.63660608 0.87306984 1\n C C2 1 0.51731176 0.76049861 0.08619223 1\n C C3 1 0.07933267 0.25808872 0.37451099 1\n C C4 1 0.94175633 1.03246688 0.08648340 1\n C C5 1 0.64465038 0.32060859 0.24570966 1\n C C6 1 0.41311871 1.07875589 0.71365493 1\n C C7 1 -0.02409478 1.14539291 0.58489211 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.26931000\n_cell_length_b 3.70052000\n_cell_length_c 4.28281000\n_cell_angle_alpha 97.20094000\n_cell_angle_beta 121.19400000\n_cell_angle_gamma 103.68785000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.67607939\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62170579 0.36616861 0.57267976 1\n C C1 1 0.63177999 0.96755973 0.50170368 1\n C C2 1 -0.03289686 -0.07839763 0.16220577 1\n C C3 1 0.26637488 0.82033380 0.80110033 1\n C C4 1 0.59948255 0.87960394 0.13280516 1\n C C5 1 0.24482777 0.33780688 0.36121796 1\n C C6 1 0.23580847 0.73718583 0.43314379 1\n C C7 1 0.89969991 0.78192244 0.77232205 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48455000\n_cell_length_b 4.67879000\n_cell_length_c 4.08721000\n_cell_angle_alpha 83.30655000\n_cell_angle_beta 89.99693000\n_cell_angle_gamma 74.53402000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.45604180\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.21102363 -0.08480357 -0.11378463 1\n C C1 1 0.26879568 0.80115094 0.24197121 1\n C C2 1 0.72455132 0.88715647 0.41274167 1\n C C3 1 0.78408289 0.77074345 0.76840801 1\n C C4 1 0.44157849 0.45929989 0.17484610 1\n C C5 1 -0.05718825 0.45652274 0.94911640 1\n C C6 1 0.05246479 0.22959246 0.70722278 1\n C C7 1 0.55322754 0.22801992 0.48076607 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45422000\n_cell_length_b 5.63830000\n_cell_length_c 4.13878000\n_cell_angle_alpha 52.98936000\n_cell_angle_beta 90.02830000\n_cell_angle_gamma 77.63080000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.05120767\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.48769785 0.88434814 0.22452307 1\n C C1 1 0.76763699 0.33237623 0.41335061 1\n C C2 1 0.93442263 -0.00741930 0.63067771 1\n C C3 1 1.02070142 0.81999422 0.09600244 1\n C C4 1 0.19445709 0.48014747 0.31450692 1\n C C5 1 0.46400482 0.93058774 0.49969546 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47292000\n_cell_length_b 5.58944000\n_cell_length_c 7.05490000\n_cell_angle_alpha 116.72940000\n_cell_angle_beta 71.74514000\n_cell_angle_gamma 109.97236000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 80.36267888\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03768843 0.76091168 0.26223986 1\n C C1 1 0.78047492 0.12665985 0.20962163 1\n C C2 1 0.37736701 0.85817989 0.90456598 1\n C C3 1 -0.08779028 0.21955642 0.69750898 1\n C C4 1 0.20123780 0.78352497 0.58418349 1\n C C5 1 0.86474391 0.71470849 0.78422139 1\n C C6 1 0.23646849 0.51243609 0.41518875 1\n C C7 1 0.21135175 0.95100729 0.14904531 1\n C C8 1 0.13007466 0.28665658 1.05246899 1\n C C9 1 0.65678280 0.17741447 0.91563183 1\n C C10 1 0.55907103 0.36837473 0.66425887 1\n C C11 1 0.35307340 0.57990538 0.21967591 1\n C C12 1 0.84577873 0.91568838 0.53515832 1\n C C13 1 0.65227370 0.35315486 0.43034239 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.68807000\n_cell_length_b 2.48109000\n_cell_length_c 4.22126000\n_cell_angle_alpha 90.02065000\n_cell_angle_beta 104.87696000\n_cell_angle_gamma 70.36645000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00422837\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.39230242 0.79908362 0.40595483 1\n C C1 1 -0.00569822 0.99901341 0.48147008 1\n C C2 1 0.83806904 0.57700618 0.61254860 1\n C C3 1 0.90759471 0.54273825 -0.02241707 1\n C C4 1 0.75017415 0.12159412 0.10804546 1\n C C5 1 0.35327119 0.31885921 0.18423862 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47761000\n_cell_length_b 2.47832000\n_cell_length_c 6.31174000\n_cell_angle_alpha 78.67376000\n_cell_angle_beta 78.67958000\n_cell_angle_gamma 59.97983000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.68325017\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00827896 0.55041062 0.81198640 1\n C C1 1 0.21370957 0.77527852 0.14246053 1\n C C2 1 0.13002550 0.69249156 0.39354063 1\n C C3 1 0.90865158 0.46899210 0.05907829 1\n C C4 1 0.76971955 0.33040921 0.47779933 1\n C C5 1 0.68690785 0.24465518 0.72881972 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48524000\n_cell_length_b 3.85917000\n_cell_length_c 6.75865000\n_cell_angle_alpha 73.40616000\n_cell_angle_beta 100.61497000\n_cell_angle_gamma 89.99503000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.96364605\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.88090209 0.43385684 0.57264358 1\n C C1 1 0.30477455 0.00965782 0.42225723 1\n C C2 1 0.51262745 0.08444472 0.82152408 1\n C C3 1 0.60158569 0.72683063 -0.00246206 1\n C C4 1 0.38096268 0.21578788 0.57259770 1\n C C5 1 0.01234833 0.31721926 0.82134372 1\n C C6 1 0.68899965 0.90900326 0.17362102 1\n C C7 1 0.18888818 0.14054520 0.17378792 1\n C C8 1 0.80491326 0.79032136 0.42227249 1\n C C9 1 1.10139602 0.49888472 0.99751263 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.25802000\n_cell_length_b 5.59112000\n_cell_length_c 4.59130000\n_cell_angle_alpha 103.37164000\n_cell_angle_beta 113.24785000\n_cell_angle_gamma 56.20320000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 63.85135683\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78807856 0.43768016 0.52256265 1\n C C1 1 0.34414436 0.90403760 0.52854966 1\n C C2 1 0.06001808 0.17078119 0.69924600 1\n C C3 1 0.22575147 0.66949414 0.50538413 1\n C C4 1 0.93642819 0.67281561 0.67884251 1\n C C5 1 0.75241725 0.43730186 0.16339049 1\n C C6 1 0.30908678 0.90391401 0.17049561 1\n C C7 1 0.03580756 0.17022318 0.99198639 1\n C C8 1 0.87120198 0.67227836 0.18807375 1\n C C9 1 0.16025626 0.66951948 1.01493371 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45919000\n_cell_length_b 6.74434000\n_cell_length_c 7.08532000\n_cell_angle_alpha 63.97833000\n_cell_angle_beta 98.13065000\n_cell_angle_gamma 86.05335000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 103.40274279\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89423599 0.09688100 0.14919105 1\n C C1 1 0.53540112 0.76825678 0.13549550 1\n C C2 1 0.23249067 0.14283200 0.82583276 1\n C C3 1 0.72150605 0.61838062 0.88272769 1\n C C4 1 0.53124028 0.27540572 0.48121644 1\n C C5 1 -0.23775755 0.21230438 0.91006038 1\n C C6 1 0.35152256 0.39429629 1.23094931 1\n C C7 1 0.53530950 0.04550393 0.47971512 1\n C C8 1 0.40742073 0.15829357 0.23522062 1\n C C9 1 0.06484808 0.74042264 0.46749633 1\n C C10 1 0.08612395 0.90002140 0.56178590 1\n C C11 1 0.30434735 0.90582921 0.90818128 1\n C C12 1 0.11313059 0.50990168 0.63102308 1\n C C13 1 0.68747518 0.46297942 0.78128127 1\n C C14 1 0.18475716 0.77002087 0.80068587 1\n C C15 1 1.08666818 0.30679535 0.58753386 1\n C C16 1 0.76490049 0.53329909 0.12967329 1\n C C17 1 0.01684406 0.83299414 0.23467636 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42993000\n_cell_length_b 3.18139000\n_cell_length_c 6.63628000\n_cell_angle_alpha 59.14182000\n_cell_angle_beta 100.16745000\n_cell_angle_gamma 89.57384000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.05574898\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34641060 0.30203926 0.26587242 1\n C C1 1 1.01289828 0.63506875 0.59906818 1\n C C2 1 0.56754167 0.41345534 0.71041695 1\n C C3 1 0.23439826 0.74700656 1.04402175 1\n C C4 1 0.67955401 -0.03151195 0.93226762 1\n C C5 1 0.90105399 1.08042586 0.37722119 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45032000\n_cell_length_b 5.45064000\n_cell_length_c 5.45024000\n_cell_angle_alpha 126.55236000\n_cell_angle_beta 90.00556000\n_cell_angle_gamma 89.99882000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.47506225\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63594346 0.19372815 0.14547435 1\n C C1 1 0.63590960 0.66172141 0.61359392 1\n C C2 1 0.63583900 1.00532677 0.80196277 1\n C C3 1 0.63590608 0.53009761 0.27735610 1\n C C4 1 1.13597156 1.17885893 0.30226326 1\n C C5 1 0.13593118 0.62399611 0.18277792 1\n C C6 1 0.13593207 0.50474861 0.62812915 1\n C C7 1 0.13575311 0.95832140 0.37361181 1\n C C8 1 0.13577585 0.10165091 0.70523536 1\n C C9 1 0.13578538 0.43313140 0.84841637 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.60427000\n_cell_length_b 4.87266000\n_cell_length_c 5.43544000\n_cell_angle_alpha 85.49507000\n_cell_angle_beta 68.66432000\n_cell_angle_gamma 76.56795000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.48285399\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06874548 0.80665681 0.16301900 1\n C C1 1 0.73595094 0.82794038 0.47128312 1\n C C2 1 0.93046460 0.38343458 0.65416374 1\n C C3 1 0.93905475 0.61506260 0.03585681 1\n C C4 1 0.10965802 0.60280278 0.74517240 1\n C C5 1 0.36664410 -0.04481022 0.41034933 1\n C C6 1 0.98207384 0.88798891 0.62863996 1\n C C7 1 0.91258299 0.12152336 0.81140697 1\n C C8 1 0.23555158 0.27081061 0.37159100 1\n C C9 1 0.46407189 0.72210078 0.19894076 1\n C C10 1 0.54480426 0.43954369 0.34358389 1\n C C11 1 -0.00895958 0.33023435 0.17620523 1\n C C12 1 1.01490392 0.08560421 0.02832940 1\n C C13 1 0.57402809 0.54544985 0.58782879 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47223000\n_cell_length_b 3.23127000\n_cell_length_c 5.74641000\n_cell_angle_alpha 79.99133000\n_cell_angle_beta 64.50526000\n_cell_angle_gamma 67.50750000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.28060973\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47708319 0.33863421 0.96753851 1\n C C1 1 -0.12402119 0.98033363 0.74875321 1\n C C2 1 0.78824907 -0.02656718 0.33963872 1\n C C3 1 0.83857864 0.61521198 -0.03174229 1\n C C4 1 0.52933015 0.97982099 0.59587495 1\n C C5 1 0.44141814 0.97298146 0.18667110 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.61167000\n_cell_length_b 2.42894000\n_cell_length_c 8.96892000\n_cell_angle_alpha 97.42700000\n_cell_angle_beta 71.07079000\n_cell_angle_gamma 88.99516000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.25937997\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82297208 0.04430942 0.55195897 1\n C C1 1 0.53646061 0.13039732 0.71767795 1\n C C2 1 0.40309540 0.67213762 0.79849588 1\n C C3 1 0.36660823 0.87867827 0.22398843 1\n C C4 1 0.58815285 0.79397925 0.05005452 1\n C C5 1 -0.03676869 0.50380309 0.47144747 1\n C C6 1 0.23950378 1.41959584 0.30514603 1\n C C7 1 1.17446493 -0.24013730 0.97246456 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46566000\n_cell_length_b 3.38781000\n_cell_length_c 5.26540000\n_cell_angle_alpha 88.14917000\n_cell_angle_beta 90.02091000\n_cell_angle_gamma 68.69623000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.95257135\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38943732 0.20251146 0.84818795 1\n C C1 1 0.20750910 0.56942697 0.04748616 1\n C C2 1 0.24374012 0.49787389 0.32223937 1\n C C3 1 0.61614368 0.75235107 0.92150954 1\n C C4 1 0.79767059 0.38640350 0.72323381 1\n C C5 1 0.76347000 0.45894401 0.44842897 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51621000\n_cell_length_b 4.78243000\n_cell_length_c 5.08743000\n_cell_angle_alpha 91.15624000\n_cell_angle_beta 89.59165000\n_cell_angle_gamma 78.72657000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 60.02282080\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.40987739 0.65892329 0.91678373 1\n C C1 1 0.26896674 0.12770918 0.66392063 1\n C C2 1 0.33396988 0.37658860 0.50656782 1\n C C3 1 0.77365026 0.94679099 0.28957685 1\n C C4 1 0.55614366 0.26633791 0.26357203 1\n C C5 1 0.76662833 0.11290492 0.83601291 1\n C C6 1 0.36897505 0.63285028 0.61919778 1\n C C7 1 0.58228414 0.36313448 1.01828870 1\n C C8 1 0.30766967 -0.11117126 0.45929470 1\n C C9 1 0.84902937 0.83580751 1.00127005 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47270000\n_cell_length_b 3.23192000\n_cell_length_c 6.08386000\n_cell_angle_alpha 111.52816000\n_cell_angle_beta 101.71007000\n_cell_angle_gamma 112.55464000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.27980879\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.11644726 0.77533686 0.21083646 1\n C C1 1 0.51274778 0.34942786 0.42937372 1\n C C2 1 0.15170697 0.62773524 0.42981418 1\n C C3 1 0.20203091 0.35486657 0.80169851 1\n C C4 1 0.46305411 0.62209532 0.05770150 1\n C C5 1 0.54921005 0.20214646 0.64882453 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43310000\n_cell_length_b 3.27115000\n_cell_length_c 9.46277000\n_cell_angle_alpha 85.57998000\n_cell_angle_beta 92.39257000\n_cell_angle_gamma 100.46295000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C18\n_cell_volume 104.14913768\n_cell_formula_units_Z 18\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34407783 0.57840024 0.86999577 1\n C C1 1 0.58743993 0.33660873 0.63759829 1\n C C2 1 0.66296365 0.02309947 0.26431748 1\n C C3 1 0.99389346 0.64694842 0.93156677 1\n C C4 1 0.23118596 0.40608399 0.72271236 1\n C C5 1 0.17830966 0.48860502 0.41008771 1\n C C6 1 1.06306356 0.95701959 0.04553196 1\n C C7 1 0.86142640 0.05061383 0.71492868 1\n C C8 1 0.78278702 0.20217083 0.96889140 1\n C C9 1 0.81188706 0.13074913 0.41075872 1\n C C10 1 -0.06846036 0.77405291 0.18696728 1\n C C11 1 0.09216267 0.84286562 0.49101161 1\n C C12 1 0.45387665 0.20945072 0.49158343 1\n C C13 1 0.56580542 0.41531053 0.17912757 1\n C C14 1 0.43266008 0.27135152 0.03032361 1\n C C15 1 0.71228556 0.89288836 0.85588648 1\n C C16 1 -0.04934601 0.69731230 0.63690553 1\n C C17 1 0.30187218 0.65742778 0.26366775 1", + "input": "C18", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45334000\n_cell_length_b 6.11561000\n_cell_length_c 6.72859000\n_cell_angle_alpha 63.22807000\n_cell_angle_beta 85.35411000\n_cell_angle_gamma 79.70163000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 88.67996646\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17434091 0.96988069 0.54934599 1\n C C1 1 0.65692885 0.32771122 0.25818406 1\n C C2 1 0.78143174 0.62752220 0.55502096 1\n C C3 1 0.62374788 0.94718295 0.86879155 1\n C C4 1 0.65471960 0.90763398 0.10213106 1\n C C5 1 0.50935411 0.21469280 0.67953980 1\n C C6 1 0.22537001 0.77765340 0.45815983 1\n C C7 1 0.78077280 0.50475865 0.80355708 1\n C C8 1 1.16107540 0.87778600 0.21166337 1\n C C9 1 -0.06717700 0.35163462 0.67938963 1\n C C10 1 0.17354424 0.84093957 0.81028930 1\n C C11 1 0.62515450 0.13395912 0.49007076 1\n C C12 1 0.22508559 0.55737214 -0.09850513 1\n C C13 1 0.16302895 0.40930706 0.14824254 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.62792000\n_cell_length_b 3.27218000\n_cell_length_c 4.23615000\n_cell_angle_alpha 84.75236000\n_cell_angle_beta 131.59837000\n_cell_angle_gamma 104.47122000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.22029409\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02848778 0.25088472 0.41841978 1\n C C1 1 0.14271084 0.19605914 0.15115128 1\n C C2 1 0.78210112 0.83526728 0.79012198 1\n C C3 1 0.23169534 0.62181009 0.00279811 1\n C C4 1 0.59225813 -0.01774376 0.36389496 1\n C C5 1 0.34516089 0.56787683 0.73497870 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.00218000\n_cell_length_b 3.63568000\n_cell_length_c 5.26248000\n_cell_angle_alpha 121.69413000\n_cell_angle_beta 115.27950000\n_cell_angle_gamma 71.44591000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.86318860\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.82330505 0.65835519 0.41173770 1\n C C1 1 0.51719756 0.38448430 0.10148140 1\n C C2 1 0.82219218 0.03948259 0.41089023 1\n C C3 1 0.51838229 1.00348755 1.10249564 1\n C C4 1 0.01523052 0.44529102 0.60159228 1\n C C5 1 0.32546690 0.59761134 -0.08834225 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50044000\n_cell_length_b 4.94164000\n_cell_length_c 5.15487000\n_cell_angle_alpha 114.73604000\n_cell_angle_beta 89.98543000\n_cell_angle_gamma 120.43261000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.02322600\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.57082137 -0.11940898 0.29628794 1\n C C1 1 0.58221913 0.39208147 0.24149305 1\n C C2 1 1.16124095 0.47125012 0.11587201 1\n C C3 1 0.99678671 0.30705590 0.78728117 1\n C C4 1 0.28186673 0.09104011 0.32240630 1\n C C5 1 -0.12245681 0.68730282 0.58132036 1\n C C6 1 0.57600842 0.38625807 0.66194291 1\n C C7 1 0.58837300 0.89795719 0.60803746 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45040000\n_cell_length_b 3.92309000\n_cell_length_c 6.20503000\n_cell_angle_alpha 47.23375000\n_cell_angle_beta 78.57396000\n_cell_angle_gamma 89.98545000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.16910378\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49140535 0.32061284 0.18384381 1\n C C1 1 0.33945546 0.14656968 0.49145960 1\n C C2 1 0.77249004 0.07836760 0.62620351 1\n C C3 1 0.02085627 0.19080301 0.12633767 1\n C C4 1 0.61735989 0.90422301 0.93394700 1\n C C5 1 0.08859419 1.03437175 0.99115241 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60824000\n_cell_length_b 4.94369000\n_cell_length_c 4.74674000\n_cell_angle_alpha 121.43153000\n_cell_angle_beta 105.52267000\n_cell_angle_gamma 89.88723000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.61029599\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63007498 0.37911280 0.40170502 1\n C C1 1 -0.08858208 0.40486747 0.95395494 1\n C C2 1 0.80934257 0.55173383 0.74708742 1\n C C3 1 0.91150769 0.90486002 0.95391141 1\n C C4 1 0.62990379 0.87911634 0.40166931 1\n C C5 1 0.52661617 0.52538846 0.19469608 1\n C C6 1 0.52669681 0.02538600 0.19466277 1\n C C7 1 0.80914657 0.05173887 0.74705544 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48140000\n_cell_length_b 3.68917000\n_cell_length_c 4.83936000\n_cell_angle_alpha 57.41571000\n_cell_angle_beta 75.14224000\n_cell_angle_gamma 70.31359000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98879965\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.71906606 0.44846887 0.52707166 1\n C C1 1 0.49595365 0.68764774 0.73377278 1\n C C2 1 0.97603862 0.50561485 0.95554934 1\n C C3 1 0.29766782 0.16079071 0.65791692 1\n C C4 1 0.17707238 0.03212627 0.03133444 1\n C C5 1 0.75530776 0.74471057 0.16216697 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31385000\n_cell_length_b 3.39398000\n_cell_length_c 5.87019000\n_cell_angle_alpha 63.98523000\n_cell_angle_beta 80.86115000\n_cell_angle_gamma 87.42185000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.55765794\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.84027549 0.34255939 0.34979910 1\n C C1 1 0.14737883 0.72366876 0.19515384 1\n C C2 1 0.79357183 0.06739166 0.21201646 1\n C C3 1 0.06382052 0.70044924 0.77590486 1\n C C4 1 0.35223741 0.74369169 0.94334079 1\n C C5 1 0.56246433 0.18870088 0.79278362 1\n C C6 1 0.93645465 0.15846191 0.62331305 1\n C C7 1 0.68898779 0.40344902 0.94956781 1\n C C8 1 0.26936686 0.46996954 0.62470413 1\n C C9 1 0.48169388 0.67447080 0.34969235 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.60185000\n_cell_length_b 4.50467000\n_cell_length_c 4.19425000\n_cell_angle_alpha 105.64497000\n_cell_angle_beta 109.94553000\n_cell_angle_gamma 114.06951000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 37.09870061\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04332468 0.53746946 0.03356292 1\n C C1 1 0.28964411 -0.13638192 0.69837238 1\n C C2 1 0.75101717 0.20030591 1.07205256 1\n C C3 1 0.43286406 0.20176711 0.31711736 1\n C C4 1 1.22370290 0.86429730 0.35465041 1\n C C5 1 0.89140423 0.53843294 0.68991348 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48201000\n_cell_length_b 3.66624000\n_cell_length_c 5.57165000\n_cell_angle_alpha 70.76326000\n_cell_angle_beta 77.11638000\n_cell_angle_gamma 89.99610000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.51550100\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96717545 0.81634307 0.70350979 1\n C C1 1 0.59036570 0.43732168 0.46126938 1\n C C2 1 1.20263368 0.04953939 0.23701565 1\n C C3 1 0.46717674 0.57803471 0.70356044 1\n C C4 1 -0.14091557 -0.03403184 0.92782617 1\n C C5 1 0.35875998 0.20402627 0.92794576 1\n C C6 1 0.09036559 0.19843845 0.46137183 1\n C C7 1 0.70287873 0.81072207 0.23693448 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46401000\n_cell_length_b 3.80092000\n_cell_length_c 7.88625000\n_cell_angle_alpha 68.54305000\n_cell_angle_beta 90.02277000\n_cell_angle_gamma 71.06658000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 64.42301016\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07112943 1.09525974 0.12614058 1\n C C1 1 0.65726902 0.92472668 0.41703073 1\n C C2 1 0.57885783 0.08498542 0.84984497 1\n C C3 1 -0.09791503 0.43570183 0.53427463 1\n C C4 1 0.76948966 0.70611094 0.80877025 1\n C C5 1 0.09178702 0.05741112 0.49265290 1\n C C6 1 0.59632091 1.04652649 0.21641740 1\n C C7 1 1.01261175 0.21805136 0.92542446 1\n C C8 1 0.24686359 0.74928758 0.69150221 1\n C C9 1 0.42498531 0.39222775 0.65119507 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48129000\n_cell_length_b 4.58002000\n_cell_length_c 4.48499000\n_cell_angle_alpha 107.46007000\n_cell_angle_beta 56.41722000\n_cell_angle_gamma 122.82565000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.68155432\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.02488545 0.22835303 0.42438208 1\n C C1 1 0.67619241 0.93326018 0.92811594 1\n C C2 1 0.94668094 0.93310892 0.15747346 1\n C C3 1 0.23827399 0.22851290 0.66142677 1\n C C4 1 0.64780781 0.63791966 0.66124394 1\n C C5 1 0.38469770 0.63776511 0.42415711 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.66467000\n_cell_length_b 4.22435000\n_cell_length_c 4.81356000\n_cell_angle_alpha 72.77084000\n_cell_angle_beta 92.64510000\n_cell_angle_gamma 58.73467000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.89044939\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.34995099 0.90173669 0.67823897 1\n C C1 1 0.38787535 0.86532934 0.98540529 1\n C C2 1 0.79066212 0.46168402 0.17683637 1\n C C3 1 0.73592539 0.51839149 0.67876895 1\n C C4 1 0.94757448 0.30527862 0.48674324 1\n C C5 1 0.00275577 0.24862514 -0.01499341 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47214000\n_cell_length_b 3.23022000\n_cell_length_c 5.74505000\n_cell_angle_alpha 80.68397000\n_cell_angle_beta 115.48897000\n_cell_angle_gamma 112.48782000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 38.26294219\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.12272674 0.28257368 0.03626022 1\n C C1 1 0.72105155 0.91984445 0.81686000 1\n C C2 1 0.77560870 0.28267221 0.18893432 1\n C C3 1 0.68406192 0.28081600 0.59804886 1\n C C4 1 0.03166346 0.28099699 0.44544125 1\n C C5 1 0.08331043 0.64318286 0.81714525 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.87966000\n_cell_length_b 3.63732000\n_cell_length_c 4.81502000\n_cell_angle_alpha 67.82550000\n_cell_angle_beta 85.97119000\n_cell_angle_gamma 70.04996000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.80157403\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.11944475 -0.15592722 0.45290963 1\n C C1 1 0.12527716 0.56910122 -0.23868415 1\n C C2 1 1.12368266 0.22331934 0.45320759 1\n C C3 1 0.12239422 0.78351649 0.95257636 1\n C C4 1 0.12208800 0.18927884 0.76119581 1\n C C5 1 0.12232451 0.62948242 0.26169487 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42788000\n_cell_length_b 3.57810000\n_cell_length_c 7.53814000\n_cell_angle_alpha 82.56159000\n_cell_angle_beta 97.61888000\n_cell_angle_gamma 113.65087000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.24527139\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.06263597 0.07724216 0.43999237 1\n C C1 1 0.73036242 0.74382141 0.10672759 1\n C C2 1 0.81261388 0.32726317 0.68990535 1\n C C3 1 0.31194784 0.82600573 0.19029127 1\n C C4 1 0.47970011 0.99273896 0.35694649 1\n C C5 1 0.56314214 0.57792383 0.93983519 1\n C C6 1 0.23062926 0.24439566 0.60652760 1\n C C7 1 0.98054339 0.49412798 0.85656133 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45713000\n_cell_length_b 7.32938000\n_cell_length_c 4.43439000\n_cell_angle_alpha 107.92420000\n_cell_angle_beta 106.29874000\n_cell_angle_gamma 109.48609000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 64.76174998\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26384476 0.76804385 0.73769279 1\n C C1 1 0.69750046 0.89184348 0.35968448 1\n C C2 1 0.20927584 -0.15006120 0.46634115 1\n C C3 1 0.29626185 0.10090817 0.14374249 1\n C C4 1 0.61627008 0.31383617 0.35309240 1\n C C5 1 0.64173914 0.97375294 0.08836480 1\n C C6 1 0.29181414 0.42810999 0.47494611 1\n C C7 1 0.61013022 0.64106100 0.68307207 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51153000\n_cell_length_b 4.77079000\n_cell_length_c 8.94949000\n_cell_angle_alpha 68.22223000\n_cell_angle_beta 82.14733000\n_cell_angle_gamma 77.62534000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 97.07286919\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01610141 0.93791349 0.05233999 1\n C C1 1 0.05837240 0.62945156 0.15065153 1\n C C2 1 0.91483853 0.60095381 0.75125950 1\n C C3 1 1.01943650 0.68734301 0.41504050 1\n C C4 1 0.14767422 0.49937722 0.31318743 1\n C C5 1 -0.08823354 0.03841520 0.30975803 1\n C C6 1 0.57256935 0.10968424 0.77023416 1\n C C7 1 1.03525232 0.44754622 1.05783789 1\n C C8 1 0.31625224 0.16571517 0.37016304 1\n C C9 1 0.47859631 0.65838236 0.52001984 1\n C C10 1 0.48504599 0.46202312 0.70011443 1\n C C11 1 -0.02005652 0.14222356 0.13103928 1\n C C12 1 0.00780432 0.63532507 0.90129538 1\n C C13 1 0.76840426 0.94960463 0.64470247 1\n C C14 1 0.04906976 0.96676658 0.87708825 1\n C C15 1 0.31547606 -0.02561944 0.54495989 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42580000\n_cell_length_b 4.21905000\n_cell_length_c 8.77872000\n_cell_angle_alpha 89.49926000\n_cell_angle_beta 105.97036000\n_cell_angle_gamma 89.95417000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 86.37495999\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29417239 0.42494576 0.67381519 1\n C C1 1 -0.03100487 0.36279846 0.34719893 1\n C C2 1 0.04480036 0.51238519 0.92185690 1\n C C3 1 0.51660571 -0.14142691 0.39081324 1\n C C4 1 0.79346127 0.42401922 0.17335003 1\n C C5 1 0.21609055 0.45032051 0.09567281 1\n C C6 1 0.71562198 0.45025491 0.59532714 1\n C C7 1 1.00274798 0.01480386 0.37728092 1\n C C8 1 0.47117527 0.36459842 0.84812826 1\n C C9 1 0.02144527 0.86051754 -0.10707556 1\n C C10 1 0.50714115 1.01669106 0.87887460 1\n C C11 1 0.54283082 0.51066909 0.42107825 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48100000\n_cell_length_b 7.61141000\n_cell_length_c 4.43030000\n_cell_angle_alpha 133.69751000\n_cell_angle_beta 124.06104000\n_cell_angle_gamma 80.57198000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.50332885\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70125695 0.55481993 0.18694241 1\n C C1 1 0.13040255 0.24590193 -0.03799544 1\n C C2 1 0.92532733 0.77911213 1.02320496 1\n C C3 1 0.44018604 0.55472117 0.42574320 1\n C C4 1 0.90635401 1.02153566 1.12565398 1\n C C5 1 0.16721578 0.02154973 -0.11348932 1\n C C6 1 0.39146802 0.24602190 -0.27678429 1\n C C7 1 0.66445493 0.77910675 1.26231290 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43067000\n_cell_length_b 5.69162000\n_cell_length_c 4.20500000\n_cell_angle_alpha 96.19860000\n_cell_angle_beta 90.19530000\n_cell_angle_gamma 99.84146000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.96850361\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38367503 0.82589346 0.48134317 1\n C C1 1 0.55957645 0.31752270 0.53203775 1\n C C2 1 0.05957645 0.31752270 1.03203775 1\n C C3 1 -0.11632497 -0.17410654 -0.01865683 1\n C C4 1 0.05946883 0.31896430 0.69913384 1\n C C5 1 0.88378265 0.82445186 0.31424708 1\n C C6 1 0.38378265 0.82445186 0.81424708 1\n C C7 1 0.55946883 0.31896430 0.19913384 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42900000\n_cell_length_b 5.51128000\n_cell_length_c 3.21510000\n_cell_angle_alpha 90.76883000\n_cell_angle_beta 89.18030000\n_cell_angle_gamma 102.35882000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.03615528\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62052332 0.23521493 0.19558245 1\n C C1 1 0.73060907 0.45599242 0.96916809 1\n C C2 1 0.95412459 0.90204966 0.52959248 1\n C C3 1 0.28693700 0.56780641 -0.14045573 1\n C C4 1 0.06401291 0.12277732 0.30293538 1\n C C5 1 0.39783051 0.79015706 0.63898193 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52285000\n_cell_length_b 4.45382000\n_cell_length_c 4.30695000\n_cell_angle_alpha 103.10617000\n_cell_angle_beta 85.37761000\n_cell_angle_gamma 82.46540000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.42070024\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20265479 0.20437813 0.27689436 1\n C C1 1 1.15200947 0.11598157 0.59546267 1\n C C2 1 0.74130574 0.08397886 1.07657299 1\n C C3 1 0.25074940 0.54556152 0.30789764 1\n C C4 1 0.10127891 0.77544334 0.56443548 1\n C C5 1 0.91376428 0.74376319 0.89756817 1\n C C6 1 0.43818122 0.57659785 -0.02538925 1\n C C7 1 0.61325909 0.23668684 0.79565985 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45431000\n_cell_length_b 4.59264000\n_cell_length_c 5.35971000\n_cell_angle_alpha 84.36274000\n_cell_angle_beta 89.93751000\n_cell_angle_gamma 74.49753000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.91397791\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45159421 0.17675746 0.76479503 1\n C C1 1 0.65227897 0.77263295 1.13992968 1\n C C2 1 0.60972628 0.86399662 0.85805101 1\n C C3 1 0.82758578 0.42185583 0.10694142 1\n C C4 1 0.39053500 0.29217970 0.49474940 1\n C C5 1 0.33828657 0.40295543 0.94131690 1\n C C6 1 0.22136827 0.63172866 0.51301248 1\n C C7 1 1.10983529 0.85779575 0.28630224 1\n C C8 1 0.19226396 0.69908284 0.77264074 1\n C C9 1 0.93831796 0.20085096 0.34442739 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43919000\n_cell_length_b 6.01074000\n_cell_length_c 6.24535000\n_cell_angle_alpha 61.80259000\n_cell_angle_beta 89.94159000\n_cell_angle_gamma 78.29434000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 78.54168026\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49824406 0.14849290 0.89518460 1\n C C1 1 0.25874764 0.62550197 0.47079370 1\n C C2 1 0.28080195 0.58398277 0.27080471 1\n C C3 1 1.03419582 1.08584110 0.43046249 1\n C C4 1 0.03889392 0.06776786 0.84270662 1\n C C5 1 1.11970457 -0.09084225 0.70784123 1\n C C6 1 -0.29500733 0.73711858 0.74973642 1\n C C7 1 0.79765740 0.54825797 0.18454321 1\n C C8 1 0.83375189 0.47894482 0.98758658 1\n C C9 1 0.51188066 0.12786994 0.30737658 1\n C C10 1 0.73870390 0.66578699 0.55394711 1\n C C11 1 0.42008422 0.30691515 1.02982735 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49029000\n_cell_length_b 3.59301000\n_cell_length_c 4.35291000\n_cell_angle_alpha 95.69931000\n_cell_angle_beta 106.61085000\n_cell_angle_gamma 69.67974000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.00014193\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42299517 0.31920791 0.61629117 1\n C C1 1 0.60412087 0.57936213 0.24040003 1\n C C2 1 0.31474112 0.94998774 0.03441598 1\n C C3 1 0.70936989 -0.05034660 0.82222197 1\n C C4 1 0.23351551 0.31974606 0.24020470 1\n C C5 1 0.79248384 0.57914795 0.61638956 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50936000\n_cell_length_b 4.97783000\n_cell_length_c 6.91235000\n_cell_angle_alpha 130.18729000\n_cell_angle_beta 111.24681000\n_cell_angle_gamma 90.08277000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.02384655\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.06781569 0.59639284 0.68825948 1\n C C1 1 0.26153539 1.01689468 0.87938001 1\n C C2 1 0.09351352 0.12356091 0.71114251 1\n C C3 1 0.23522454 0.48952029 0.85616721 1\n C C4 1 0.11306515 1.04568186 0.23190204 1\n C C5 1 0.55899190 0.83102802 0.17906747 1\n C C6 1 0.21663412 0.56744465 0.33583175 1\n C C7 1 0.94293158 0.15604252 1.06054773 1\n C C8 1 0.77043466 0.78200841 0.38852076 1\n C C9 1 0.38672137 0.45711403 0.50718185 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44200000\n_cell_length_b 5.41605000\n_cell_length_c 5.15293000\n_cell_angle_alpha 78.48269000\n_cell_angle_beta 118.26063000\n_cell_angle_gamma 89.99515000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.46573657\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21043399 0.13095304 0.60479028 1\n C C1 1 0.87861444 -0.00412351 0.77289107 1\n C C2 1 0.45149276 0.74907466 0.34477297 1\n C C3 1 0.71459340 0.42669106 1.10988694 1\n C C4 1 0.24285752 0.01071905 0.13704897 1\n C C5 1 0.83707034 0.14677052 0.23139626 1\n C C6 1 0.20753390 0.39870326 0.60130238 1\n C C7 1 -0.07138643 0.58416315 0.32054332 1\n C C8 1 0.41086280 0.56418499 0.80625344 1\n C C9 1 0.80629888 0.73577578 0.70134777 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43644000\n_cell_length_b 5.79754000\n_cell_length_c 8.02344000\n_cell_angle_alpha 52.97977000\n_cell_angle_beta 90.09819000\n_cell_angle_gamma 78.16606000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 87.42134150\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.43133206 0.49408387 0.32615129 1\n C C1 1 0.64879657 0.04171086 0.45570010 1\n C C2 1 -0.01587171 0.37982466 0.62620279 1\n C C3 1 0.50930139 0.32741775 0.23583404 1\n C C4 1 0.20260086 0.93480512 0.56401289 1\n C C5 1 1.07615167 0.18755553 0.03425508 1\n C C6 1 0.58107453 0.17766323 0.95088748 1\n C C7 1 0.29819142 0.74680671 0.78623003 1\n C C8 1 0.85035261 0.64374225 0.89503468 1\n C C9 1 0.98974519 0.36390686 0.11730096 1\n C C10 1 0.52661392 0.29401229 0.73716043 1\n C C11 1 0.92894198 0.49936676 0.41174772 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.90879000\n_cell_length_b 4.81706000\n_cell_length_c 3.63823000\n_cell_angle_alpha 67.82719000\n_cell_angle_beta 110.46375000\n_cell_angle_gamma 91.75755000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.92685170\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.01012520 0.90607598 1.01265670 1\n C C1 1 0.98558619 0.71536101 0.79771328 1\n C C2 1 -0.01863322 0.21523364 0.73624959 1\n C C3 1 0.98462512 0.40607904 -0.04931824 1\n C C4 1 -0.01452137 0.90673601 0.39160587 1\n C C5 1 -0.01575322 0.21468822 0.35664530 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42959000\n_cell_length_b 2.42915000\n_cell_length_c 8.47313000\n_cell_angle_alpha 97.69787000\n_cell_angle_beta 90.33965000\n_cell_angle_gamma 120.01014000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.75748173\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63885136 0.02427311 0.75843248 1\n C C1 1 0.53365744 0.80734872 0.41663584 1\n C C2 1 0.44699853 0.56424738 0.08766127 1\n C C3 1 0.78019499 0.23052490 0.08702698 1\n C C4 1 0.97208148 0.69092358 0.75824242 1\n C C5 1 0.20020919 0.14083012 0.41681411 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37516000\n_cell_length_b 4.18985000\n_cell_length_c 5.93447000\n_cell_angle_alpha 121.17027000\n_cell_angle_beta 126.27781000\n_cell_angle_gamma 75.62132000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.68267753\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70548510 -0.05818634 0.86606286 1\n C C1 1 0.80232850 0.57250299 0.73138189 1\n C C2 1 0.25197364 0.44344020 0.89209690 1\n C C3 1 0.25525420 1.07031831 0.70496222 1\n C C4 1 0.70408704 0.57446970 0.18315819 1\n C C5 1 0.80287315 0.93954238 0.41377604 1\n C C6 1 0.49721577 0.25815316 0.42012655 1\n C C7 1 0.01064340 0.25710669 0.17727125 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43136000\n_cell_length_b 4.86369000\n_cell_length_c 5.65719000\n_cell_angle_alpha 89.71518000\n_cell_angle_beta 92.69344000\n_cell_angle_gamma 59.79950000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.72273732\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.73380872 0.69153976 0.78977060 1\n C C1 1 0.73380872 0.19153976 0.78977060 1\n C C2 1 0.54968426 -0.01061717 0.28887838 1\n C C3 1 0.54968426 0.48938283 0.28887838 1\n C C4 1 0.40039221 1.02453622 0.79015560 1\n C C5 1 0.21618796 0.32241049 0.28908531 1\n C C6 1 0.21618796 0.82241049 0.28908531 1\n C C7 1 0.40039221 0.52453622 0.79015560 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47426000\n_cell_length_b 5.76703000\n_cell_length_c 4.87109000\n_cell_angle_alpha 94.73100000\n_cell_angle_beta 94.22171000\n_cell_angle_gamma 96.93155000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.51734816\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80421314 0.48227058 0.22699406 1\n C C1 1 1.32738902 0.86715760 0.46297028 1\n C C2 1 0.48698180 -0.08538609 0.83801816 1\n C C3 1 0.29234560 0.48373797 0.05706094 1\n C C4 1 0.07514698 0.03996534 -0.04383292 1\n C C5 1 0.80064554 0.58477336 0.69190569 1\n C C6 1 0.21222758 1.08676719 0.28645376 1\n C C7 1 1.20118716 0.27341909 0.83998080 1\n C C8 1 0.74451671 0.23989677 0.36618504 1\n C C9 1 -0.28394196 0.32130097 0.67059554 1\n C C10 1 0.80671361 0.70662754 0.43502010 1\n C C11 1 0.35582402 0.66018277 0.85138795 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49438000\n_cell_length_b 3.42165000\n_cell_length_c 7.20777000\n_cell_angle_alpha 61.76176000\n_cell_angle_beta 80.06961000\n_cell_angle_gamma 68.61762000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.46579052\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.23145139 0.91141156 0.51923814 1\n C C1 1 0.01171667 0.41293819 0.46407800 1\n C C2 1 0.81751838 0.39847701 0.85867077 1\n C C3 1 0.01110373 0.85831265 0.01912274 1\n C C4 1 0.42497757 0.69168824 0.35869617 1\n C C5 1 0.42479809 -0.07411707 0.12487858 1\n C C6 1 0.81796561 0.63248198 0.62484247 1\n C C7 1 0.23125017 0.46636244 -0.03579506 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.70825000\n_cell_length_b 4.97612000\n_cell_length_c 4.68876000\n_cell_angle_alpha 96.17847000\n_cell_angle_beta 102.62894000\n_cell_angle_gamma 118.92033000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 90.85200394\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83735417 0.60992685 0.58079636 1\n C C1 1 0.41480206 0.77599449 1.09345989 1\n C C2 1 0.88033288 0.18560646 0.60946682 1\n C C3 1 0.06433560 0.19673207 0.43316627 1\n C C4 1 0.10795582 0.77203608 0.46171635 1\n C C5 1 0.53073917 0.60497345 0.94946883 1\n C C6 1 -0.00639396 0.11326500 0.89111307 1\n C C7 1 0.37390727 0.24449867 0.90822513 1\n C C8 1 0.62662235 0.26137698 0.47373251 1\n C C9 1 0.15797823 0.62208892 0.22862069 1\n C C10 1 0.78653376 0.75973811 0.81345621 1\n C C11 1 0.57127914 0.13672144 0.13414606 1\n C C12 1 0.95126751 0.26811220 0.15118181 1\n C C13 1 0.31799009 0.12096758 0.56845722 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48302000\n_cell_length_b 5.45095000\n_cell_length_c 5.97407000\n_cell_angle_alpha 65.84933000\n_cell_angle_beta 101.90356000\n_cell_angle_gamma 89.87333000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 71.85370470\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75502338 0.37066839 0.61729761 1\n C C1 1 0.09230849 0.07458882 0.29095371 1\n C C2 1 0.73627986 0.66686340 0.58621613 1\n C C3 1 0.41902919 0.41724788 0.94622262 1\n C C4 1 1.07343533 0.62020385 0.25735733 1\n C C5 1 0.40001273 0.96292716 -0.08753519 1\n C C6 1 0.33263653 0.25405551 0.77323780 1\n C C7 1 0.55974884 0.23235329 0.22769140 1\n C C8 1 0.87687805 0.59411853 0.86417013 1\n C C9 1 0.15859496 0.78355704 0.43045980 1\n C C10 1 0.93300024 0.80513982 -0.02393665 1\n C C11 1 0.61638110 0.44329961 0.33965211 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46288000\n_cell_length_b 3.38999000\n_cell_length_c 6.09028000\n_cell_angle_alpha 60.19677000\n_cell_angle_beta 78.32881000\n_cell_angle_gamma 68.73906000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.10482856\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69599750 0.22998017 0.62209549 1\n C C1 1 0.65668097 1.02466471 0.89752782 1\n C C2 1 0.29084769 0.16640205 0.49606135 1\n C C3 1 0.11285583 0.71935429 0.29945030 1\n C C4 1 1.14100111 -0.07073314 0.02390038 1\n C C5 1 0.51899389 0.78229972 0.42550516 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51156000\n_cell_length_b 6.00837000\n_cell_length_c 4.85905000\n_cell_angle_alpha 82.47139000\n_cell_angle_beta 107.73047000\n_cell_angle_gamma 96.61994000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 69.01891810\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37763881 0.97422738 0.14867154 1\n C C1 1 0.55442199 0.64486170 1.00111188 1\n C C2 1 0.99051673 0.48832814 1.00579433 1\n C C3 1 0.21252011 0.46408431 0.53781226 1\n C C4 1 0.71865059 0.13914383 0.68180055 1\n C C5 1 0.80248947 0.38725479 0.71548210 1\n C C6 1 0.85385612 0.82212328 0.21141352 1\n C C7 1 0.52856417 0.17549135 0.32923723 1\n C C8 1 1.12693518 0.70700545 0.49253034 1\n C C9 1 0.26036076 1.02203467 0.80934958 1\n C C10 1 0.04629562 0.32412470 0.27803858 1\n C C11 1 0.29204235 0.79255799 0.74029329 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43244000\n_cell_length_b 6.07973000\n_cell_length_c 4.70225000\n_cell_angle_alpha 70.55927000\n_cell_angle_beta 69.55005000\n_cell_angle_gamma 88.94450000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.16819835\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32642479 0.56297215 0.47600098 1\n C C1 1 0.68990356 0.92347710 0.07034119 1\n C C2 1 0.40850984 0.80628661 0.93060433 1\n C C3 1 1.13449461 1.00045043 0.82684338 1\n C C4 1 0.71740638 0.73455025 0.36333770 1\n C C5 1 0.91399301 0.32305538 0.02652409 1\n C C6 1 0.70853459 0.71859627 0.69221927 1\n C C7 1 0.11206217 0.61199165 0.24199690 1\n C C8 1 0.48751833 0.33069474 0.53491379 1\n C C9 1 0.93579464 0.34961015 0.32607709 1\n C C10 1 0.28911825 0.20574896 0.89420600 1\n C C11 1 0.52038469 0.14598867 0.12389844 1\n C C12 1 0.95956244 0.55101090 0.76658966 1\n C C13 1 0.23485709 0.17348133 0.45084068 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48269000\n_cell_length_b 4.26726000\n_cell_length_c 6.07004000\n_cell_angle_alpha 117.72024000\n_cell_angle_beta 89.99553000\n_cell_angle_gamma 90.00475000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.92708707\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.75870341 0.04135491 0.69496741 1\n C C1 1 0.25910319 0.45929583 0.08877289 1\n C C2 1 0.25928952 0.20568560 0.42189601 1\n C C3 1 0.75890894 0.74232404 0.76203928 1\n C C4 1 0.25869848 0.27209980 0.80586817 1\n C C5 1 0.75919472 0.99603391 0.42884135 1\n C C6 1 0.75922649 0.92995742 0.04543559 1\n C C7 1 0.25926699 0.16037193 0.15573260 1\n C C8 1 0.25888653 0.51531843 0.68119861 1\n C C9 1 0.75918322 0.68657083 0.17009307 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48519000\n_cell_length_b 4.68090000\n_cell_length_c 4.08537000\n_cell_angle_alpha 83.35469000\n_cell_angle_beta 90.00072000\n_cell_angle_gamma 74.60754000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.48883225\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.05123001 -0.15247783 0.49899360 1\n C C1 1 0.55195264 0.84546861 0.27303400 1\n C C2 1 0.88206565 0.18805760 0.56755810 1\n C C3 1 0.66760575 0.61721534 0.03095694 1\n C C4 1 0.16906689 0.61479250 0.80548004 1\n C C5 1 0.39517095 0.15910433 0.09241667 1\n C C6 1 0.82322742 0.30373840 0.21201759 1\n C C7 1 0.33957499 0.27397564 0.73675005 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47862000\n_cell_length_b 5.86863000\n_cell_length_c 8.00059000\n_cell_angle_alpha 51.70985000\n_cell_angle_beta 72.07258000\n_cell_angle_gamma 77.83358000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.87647084\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20552503 1.06909749 0.63634057 1\n C C1 1 0.29980117 0.47477654 0.84323332 1\n C C2 1 0.61441828 0.72782250 0.40396959 1\n C C3 1 0.43826586 0.21214600 0.83699938 1\n C C4 1 0.38322000 0.89925940 1.04876121 1\n C C5 1 1.04819110 0.26465237 0.69916177 1\n C C6 1 0.78107648 0.86430921 0.16960936 1\n C C7 1 0.55296478 0.69492914 0.97988654 1\n C C8 1 0.04709243 0.60138745 0.53380456 1\n C C9 1 0.72039927 0.90103320 0.70581465 1\n C C10 1 1.09400343 0.51017088 0.03287597 1\n C C11 1 -0.15145525 0.63905042 0.71261044 1\n C C12 1 0.04790333 0.20539491 0.23428568 1\n C C13 1 0.58977541 0.05459210 0.26803186 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48435000\n_cell_length_b 3.82438000\n_cell_length_c 5.98274000\n_cell_angle_alpha 59.61632000\n_cell_angle_beta 77.95826000\n_cell_angle_gamma 71.02118000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.30216781\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07442336 0.70950320 0.69811134 1\n C C1 1 0.56301335 0.28464097 0.14294074 1\n C C2 1 1.11136685 0.35556952 0.97774312 1\n C C3 1 0.31320880 0.00977744 0.92001311 1\n C C4 1 0.35058010 0.65599907 1.19948850 1\n C C5 1 -0.13830577 1.08043829 0.75492173 1\n C C6 1 0.68688507 0.59243210 0.59208742 1\n C C7 1 0.73842124 0.77231431 0.30567594 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45655000\n_cell_length_b 3.66110000\n_cell_length_c 6.48490000\n_cell_angle_alpha 79.33027000\n_cell_angle_beta 100.88898000\n_cell_angle_gamma 70.39711000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.96997678\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.68084765 0.69994909 0.95070816 1\n C C1 1 0.28231825 0.81914854 0.27359841 1\n C C2 1 0.43345508 -0.05447019 0.70096721 1\n C C3 1 0.83436137 0.81870128 0.37844711 1\n C C4 1 0.26276547 0.34153783 0.75314634 1\n C C5 1 0.85383820 0.30445436 0.89860312 1\n C C6 1 0.14483197 0.85769510 0.03743489 1\n C C7 1 -0.03239050 0.78820218 0.61386105 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44791000\n_cell_length_b 3.37262000\n_cell_length_c 8.01432000\n_cell_angle_alpha 109.56736000\n_cell_angle_beta 72.14375000\n_cell_angle_gamma 111.39830000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 56.74919516\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23177856 0.22562143 0.23948482 1\n C C1 1 0.00134316 -0.19516777 0.75987057 1\n C C2 1 0.32785114 0.69629586 0.37982999 1\n C C3 1 0.54825357 0.71662870 0.66809943 1\n C C4 1 0.90292630 -0.00773467 0.95137269 1\n C C5 1 0.35919633 1.08426666 0.04251724 1\n C C6 1 0.67875864 0.58145814 0.47127114 1\n C C7 1 0.58247060 0.11235246 0.33189363 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.26916000\n_cell_length_b 4.20409000\n_cell_length_c 3.70171000\n_cell_angle_alpha 111.61403000\n_cell_angle_beta 76.26628000\n_cell_angle_gamma 119.26905000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 53.74628062\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.72844077 0.31348615 0.26651638 1\n C C1 1 0.14547536 0.08537057 0.81016687 1\n C C2 1 0.80965388 0.38542779 0.66594875 1\n C C3 1 0.48228681 0.45417373 0.89720857 1\n C C4 1 0.14675978 0.75388859 0.75103740 1\n C C5 1 0.48485017 0.72452806 0.71082598 1\n C C6 1 0.80729225 0.11491823 0.85168364 1\n C C7 1 0.56354419 0.52558348 0.29619101 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45701000\n_cell_length_b 3.66348000\n_cell_length_c 6.45881000\n_cell_angle_alpha 98.33442000\n_cell_angle_beta 79.06539000\n_cell_angle_gamma 70.44914000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.40789630\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.16310125 0.57507033 0.13596336 1\n C C1 1 0.87665759 1.01039755 0.27250016 1\n C C2 1 0.74910678 0.54908436 0.98952402 1\n C C3 1 0.73521459 0.05292566 0.50956554 1\n C C4 1 0.57142157 0.95120051 0.94052647 1\n C C5 1 0.33902138 0.17394582 0.18565847 1\n C C6 1 0.17535584 0.06821110 0.61587623 1\n C C7 1 0.03463809 0.11339706 0.85316266 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46424000\n_cell_length_b 4.06159000\n_cell_length_c 6.90848000\n_cell_angle_alpha 100.38287000\n_cell_angle_beta 80.00945000\n_cell_angle_gamma 88.15170000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.83742975\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47640177 0.76945525 0.13890498 1\n C C1 1 0.53210384 0.64182620 0.34727258 1\n C C2 1 0.93710572 0.00415131 0.13918481 1\n C C3 1 0.15423265 0.31475742 0.66725314 1\n C C4 1 0.62454249 0.50079154 0.75268968 1\n C C5 1 0.04328020 0.22094694 0.98046284 1\n C C6 1 0.16551937 0.02423672 0.76704134 1\n C C7 1 0.68032772 0.25945120 0.34171967 1\n C C8 1 0.53241866 0.45020513 0.97748656 1\n C C9 1 0.96793350 0.80142647 0.46060591 1\n C C10 1 0.12653703 0.17319599 0.45208600 1\n C C11 1 -0.28264066 0.82856764 0.69516931 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46575000\n_cell_length_b 3.36457000\n_cell_length_c 5.59466000\n_cell_angle_alpha 87.57793000\n_cell_angle_beta 102.74371000\n_cell_angle_gamma 101.04721000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 44.43211929\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53681064 0.42644328 0.75880562 1\n C C1 1 0.77822174 0.42660808 0.23899757 1\n C C2 1 0.61031539 0.65602148 -0.00125745 1\n C C3 1 0.96240729 0.15786200 0.75879449 1\n C C4 1 0.65928398 0.79348424 0.57890393 1\n C C5 1 1.13042925 0.92775471 -0.00136626 1\n C C6 1 0.20385343 1.15798439 0.23887849 1\n C C7 1 0.07921768 0.79363663 0.41862141 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44698000\n_cell_length_b 7.52269000\n_cell_length_c 9.42424000\n_cell_angle_alpha 100.33360000\n_cell_angle_beta 105.05613000\n_cell_angle_gamma 99.41347000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C24\n_cell_volume 160.72466037\n_cell_formula_units_Z 24\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.96344611 0.87558494 0.13588154 1\n C C1 1 1.19178511 0.17162673 0.71637572 1\n C C2 1 0.36854400 0.18411124 -0.11397203 1\n C C3 1 0.16759183 0.64583942 0.95347520 1\n C C4 1 0.82336613 0.51226249 0.67481322 1\n C C5 1 0.21384148 0.83445549 0.90634899 1\n C C6 1 0.49781240 0.67793513 0.26785030 1\n C C7 1 0.72739247 0.38482706 0.15001964 1\n C C8 1 0.25686488 0.52001687 0.60316921 1\n C C9 1 -0.12815072 0.58925304 0.18683665 1\n C C10 1 0.05689252 0.84694654 0.74468956 1\n C C11 1 0.16261762 0.59163511 0.47335935 1\n C C12 1 -0.06994507 0.14184846 -0.03142363 1\n C C13 1 0.62378942 0.63217112 0.41444363 1\n C C14 1 -0.15411570 0.93838643 -0.01447649 1\n C C15 1 0.14301239 0.29645041 0.10956462 1\n C C16 1 0.39277394 0.35415623 0.82570824 1\n C C17 1 0.78585502 1.01389739 0.38971229 1\n C C18 1 0.37952330 0.04757900 0.46678535 1\n C C19 1 0.77584670 0.66730495 0.05066081 1\n C C20 1 0.56680970 1.08190206 0.63732053 1\n C C21 1 0.56777606 0.88695445 0.23523052 1\n C C22 1 0.95019219 0.46790308 0.82530652 1\n C C23 1 0.52955150 0.90047976 0.69091676 1", + "input": "C24", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.34288000\n_cell_length_b 3.23625000\n_cell_length_c 5.76055000\n_cell_angle_alpha 92.77291000\n_cell_angle_beta 128.80592000\n_cell_angle_gamma 105.54459000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.20629896\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.01094599 0.58293420 0.74506247 1\n C C1 1 0.01318934 0.58106794 0.29460620 1\n C C2 1 0.14196685 0.71151622 0.58467381 1\n C C3 1 0.64542650 0.21509413 0.06226090 1\n C C4 1 0.51685194 0.08476335 0.77216429 1\n C C5 1 0.32998489 0.89697732 0.29938788 1\n C C6 1 0.64798877 0.21285134 0.61172739 1\n C C7 1 0.32911810 0.89862851 1.05752517 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45350000\n_cell_length_b 5.56449000\n_cell_length_c 7.84000000\n_cell_angle_alpha 102.56255000\n_cell_angle_beta 98.34952000\n_cell_angle_gamma 115.21837000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 91.02138414\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02190869 0.02501192 0.09771714 1\n C C1 1 0.44803679 0.84932887 0.31814212 1\n C C2 1 0.10679515 0.25377423 0.81739001 1\n C C3 1 0.91305947 0.70332123 0.56028111 1\n C C4 1 1.02288001 0.43006593 0.30671742 1\n C C5 1 0.23994945 0.44429191 0.72324045 1\n C C6 1 0.80904073 0.54150719 0.67188475 1\n C C7 1 0.37697265 0.31133446 0.24468024 1\n C C8 1 0.37363083 0.71000496 0.46059528 1\n C C9 1 -0.03808366 -0.10345583 0.24524923 1\n C C10 1 0.54451134 1.16124830 0.87241373 1\n C C11 1 0.46722587 1.01848064 -0.00476787 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48731000\n_cell_length_b 3.87758000\n_cell_length_c 7.87328000\n_cell_angle_alpha 64.53312000\n_cell_angle_beta 99.09142000\n_cell_angle_gamma 89.99849000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.49909759\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32161242 0.76874224 0.02120579 1\n C C1 1 0.79238921 -0.00683982 0.96226172 1\n C C2 1 1.01953169 0.82953582 0.40409402 1\n C C3 1 -0.16936899 0.27082699 0.03796812 1\n C C4 1 0.93608540 0.23083267 0.23987816 1\n C C5 1 0.51877679 0.58803779 0.40275730 1\n C C6 1 0.68902500 0.28885904 0.74698977 1\n C C7 1 1.18753750 0.53015497 0.74396028 1\n C C8 1 0.28458651 0.49068037 0.94559103 1\n C C9 1 0.43445137 0.47223037 0.23681152 1\n C C10 1 0.60799475 1.17201018 0.58174574 1\n C C11 1 0.10727806 0.93064369 0.58043364 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27933000\n_cell_length_b 3.27836000\n_cell_length_c 5.57298000\n_cell_angle_alpha 90.18373000\n_cell_angle_beta 90.18325000\n_cell_angle_gamma 81.09552000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 59.19150399\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.16991315 0.61192289 0.71347773 1\n C C1 1 0.80971873 0.97308724 0.71345648 1\n C C2 1 0.32062786 0.43866939 0.94701366 1\n C C3 1 0.53663530 0.70290841 0.57061877 1\n C C4 1 0.63720371 0.12217389 0.94703445 1\n C C5 1 0.14504050 0.58714307 0.18083962 1\n C C6 1 0.89902688 0.34080911 0.57054206 1\n C C7 1 0.78337565 0.94828528 0.18100562 1\n C C8 1 1.05424549 0.21993568 0.32358988 1\n C C9 1 0.41566253 0.85792324 0.32364914 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47495000\n_cell_length_b 4.24805000\n_cell_length_c 3.72191000\n_cell_angle_alpha 115.99045000\n_cell_angle_beta 90.01192000\n_cell_angle_gamma 89.99808000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.17364626\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.51444406 0.92859738 0.05729724 1\n C C1 1 0.51503360 0.92845744 0.64872764 1\n C C2 1 0.01456754 0.42768219 0.60235574 1\n C C3 1 0.51455947 0.20632320 0.49171646 1\n C C4 1 0.01491915 0.70561755 0.44584915 1\n C C5 1 1.01444157 0.70557604 0.03720247 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.35419000\n_cell_length_b 3.35040000\n_cell_length_c 7.08565000\n_cell_angle_alpha 97.64376000\n_cell_angle_beta 68.58592000\n_cell_angle_gamma 90.61578000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 73.41022280\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24313194 0.69970880 0.51219935 1\n C C1 1 0.90050846 0.01838772 0.50094780 1\n C C2 1 0.43471825 0.35416219 0.17547369 1\n C C3 1 0.60787532 -0.06995204 0.38697049 1\n C C4 1 0.57808560 0.11239073 0.72643902 1\n C C5 1 0.76353099 0.70040021 0.17032792 1\n C C6 1 0.22621727 0.79260898 0.73038372 1\n C C7 1 0.76342480 0.86591020 0.83981394 1\n C C8 1 0.44203775 0.52577799 0.82769728 1\n C C9 1 0.27369204 0.28725611 0.40141187 1\n C C10 1 0.56199616 0.94622389 1.06338021 1\n C C11 1 0.22503681 0.61285800 0.07043161 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48800000\n_cell_length_b 4.30413000\n_cell_length_c 5.56156000\n_cell_angle_alpha 75.03887000\n_cell_angle_beta 77.06834000\n_cell_angle_gamma 73.22117000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.36643022\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.46619285 0.28722692 -0.01336842 1\n C C1 1 0.46523083 0.53719832 0.73670294 1\n C C2 1 0.66678420 -0.06299021 -0.06228202 1\n C C3 1 0.26755644 0.88697876 0.78765782 1\n C C4 1 0.66557798 0.68701440 0.18752668 1\n C C5 1 0.86701722 0.33742778 0.13645040 1\n C C6 1 0.06482395 0.73708971 0.33751460 1\n C C7 1 0.86757440 0.08724839 0.38708550 1\n C C8 1 0.26790935 0.13732227 0.53701603 1\n C C9 1 0.06475829 0.48720487 0.58681556 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43907000\n_cell_length_b 4.23987000\n_cell_length_c 3.46933000\n_cell_angle_alpha 89.97808000\n_cell_angle_beta 88.63461000\n_cell_angle_gamma 89.86705000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 50.57252608\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.87654654 0.52230707 0.71954491 1\n C C1 1 1.02933384 1.02481707 0.40595614 1\n C C2 1 -0.03439695 -0.14349258 0.78563572 1\n C C3 1 0.30677374 0.85648012 0.12855820 1\n C C4 1 0.62369572 0.35889379 -0.02655863 1\n C C5 1 0.36970125 0.52169132 0.21226763 1\n C C6 1 0.11712942 0.35944158 0.46772146 1\n C C7 1 0.68796933 1.02468393 0.06264087 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.92853000\n_cell_length_b 4.89066000\n_cell_length_c 4.74620000\n_cell_angle_alpha 101.65943000\n_cell_angle_beta 88.60808000\n_cell_angle_gamma 93.73146000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 89.11253419\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45160455 0.31992290 0.64745158 1\n C C1 1 0.09445858 0.21591127 0.66661679 1\n C C2 1 0.58572697 0.04904918 0.43536892 1\n C C3 1 0.13932279 0.19624753 0.16019657 1\n C C4 1 0.17368130 0.69701725 0.10437469 1\n C C5 1 -0.10171698 0.17311495 0.92251598 1\n C C6 1 0.94211785 0.15415771 0.41573049 1\n C C7 1 0.47582287 0.55217085 0.48220442 1\n C C8 1 0.68195826 0.90391242 0.90201647 1\n C C9 1 0.38938618 0.96251613 0.14361861 1\n C C10 1 0.64845204 0.40628122 0.93912461 1\n C C11 1 0.35791756 0.46486944 0.18080039 1\n C C12 1 0.86676106 0.67158207 0.97830283 1\n C C13 1 0.56606607 0.81682880 0.60032054 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.28942000\n_cell_length_b 3.35576000\n_cell_length_c 8.96505000\n_cell_angle_alpha 94.97093000\n_cell_angle_beta 94.36402000\n_cell_angle_gamma 96.71872000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 97.53889630\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.41186097 1.04763171 0.80796895 1\n C C1 1 0.84795852 0.97830199 0.18865734 1\n C C2 1 0.63398613 0.77049461 0.05425948 1\n C C3 1 0.10865005 0.24653651 0.90787943 1\n C C4 1 0.55267946 0.36895766 0.71671572 1\n C C5 1 0.76612429 -0.09569841 0.90856405 1\n C C6 1 0.39077550 0.51002254 0.31919254 1\n C C7 1 0.27590918 0.36870077 0.46337803 1\n C C8 1 1.17383138 0.30450978 0.18629976 1\n C C9 1 -0.08590638 0.55085571 0.81612379 1\n C C10 1 0.31878727 0.44982353 0.05296063 1\n C C11 1 0.70901255 0.82889098 0.32308938 1\n C C12 1 0.03174043 0.65790072 0.55511141 1\n C C13 1 0.66328688 0.32019532 0.55647573 1\n C C14 1 0.22753478 0.68024996 0.71549439 1\n C C15 1 0.91968809 0.01299882 0.47358765 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43656000\n_cell_length_b 7.56112000\n_cell_length_c 6.23924000\n_cell_angle_alpha 105.67104000\n_cell_angle_beta 101.21818000\n_cell_angle_gamma 90.03123000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 108.38727186\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.08910594 0.39874296 0.98803915 1\n C C1 1 0.63490487 0.67107429 0.43790564 1\n C C2 1 0.56891339 0.29439939 0.30096337 1\n C C3 1 0.37919637 0.49284534 0.92161741 1\n C C4 1 0.83235936 0.20774273 0.83783800 1\n C C5 1 0.30509472 0.11638088 0.78434369 1\n C C6 1 0.10932652 0.57943882 0.38435817 1\n C C7 1 0.03549327 0.38855884 0.23405694 1\n C C8 1 0.95326196 0.79491693 0.05855324 1\n C C9 1 0.23689918 0.93646208 0.64672318 1\n C C10 1 1.00787563 -0.00817880 0.16750860 1\n C C11 1 0.52924496 0.08755633 0.21177353 1\n C C12 1 0.69937336 0.36241568 0.55907903 1\n C C13 1 0.43086319 0.69998219 0.01340446 1\n C C14 1 0.25134355 0.42706968 0.66415216 1\n C C15 1 0.70199030 0.84992345 0.57640515 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42852000\n_cell_length_b 4.16186000\n_cell_length_c 7.07838000\n_cell_angle_alpha 94.08904000\n_cell_angle_beta 90.03230000\n_cell_angle_gamma 89.98077000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.36019130\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49321751 0.16531748 0.91861249 1\n C C1 1 -0.00711273 0.65984756 0.34182504 1\n C C2 1 -0.00666179 0.01419625 0.37664913 1\n C C3 1 0.49323630 0.42134148 1.06084127 1\n C C4 1 0.99192704 0.76624543 0.71744149 1\n C C5 1 0.99312069 1.02252540 0.85946879 1\n C C6 1 0.99320774 0.52667319 0.14063840 1\n C C7 1 0.49334643 0.17167791 0.40155045 1\n C C8 1 0.49183534 0.65999598 0.63787017 1\n C C9 1 0.49291597 0.52580592 0.43659437 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42671000\n_cell_length_b 4.22793000\n_cell_length_c 4.22935000\n_cell_angle_alpha 92.80415000\n_cell_angle_beta 90.05670000\n_cell_angle_gamma 90.01157000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.34098040\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.00277023 0.93121216 0.36741772 1\n C C1 1 0.49923021 0.49757282 0.80151508 1\n C C2 1 0.50095072 0.84746130 0.86097354 1\n C C3 1 0.00077980 -0.00905257 0.71738397 1\n C C4 1 0.50262244 0.90779898 0.21071961 1\n C C5 1 0.99914400 0.34084822 -0.22166442 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43026000\n_cell_length_b 2.43004000\n_cell_length_c 8.46468000\n_cell_angle_alpha 82.89315000\n_cell_angle_beta 88.83775000\n_cell_angle_gamma 120.01656000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.75530865\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.61087585 0.47804066 0.87168670 1\n C C1 1 0.71421585 0.76468643 0.53595735 1\n C C2 1 0.38097636 0.09848884 0.53529746 1\n C C3 1 0.47535865 0.28094120 0.20268432 1\n C C4 1 1.14208608 0.61414701 0.20268259 1\n C C5 1 -0.05578860 0.14457457 0.87168898 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46114000\n_cell_length_b 4.48759000\n_cell_length_c 3.63303000\n_cell_angle_alpha 73.61521000\n_cell_angle_beta 63.43724000\n_cell_angle_gamma 95.34507000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 33.28902323\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.02059493 0.18166153 1.03260630 1\n C C1 1 0.48932004 0.50385554 0.64505119 1\n C C2 1 0.18195704 0.50385633 0.37144668 1\n C C3 1 0.32777088 0.18151535 0.30655348 1\n C C4 1 0.45183969 0.73688379 0.89199469 1\n C C5 1 0.05636562 0.94742477 0.78703726 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47255000\n_cell_length_b 3.28750000\n_cell_length_c 7.74822000\n_cell_angle_alpha 100.59176000\n_cell_angle_beta 61.41717000\n_cell_angle_gamma 67.88095000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.82172559\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.25886478 0.63313267 0.64730389 1\n C C1 1 0.71759345 0.17412188 0.82759585 1\n C C2 1 0.03753782 0.49326754 0.50805674 1\n C C3 1 0.75909787 0.13277826 0.14730220 1\n C C4 1 0.21815198 0.67346641 0.32759582 1\n C C5 1 0.07825063 0.45293380 0.82776482 1\n C C6 1 0.53730473 0.99362196 0.00805844 1\n C C7 1 0.57880915 0.95227833 0.32776478 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48769000\n_cell_length_b 4.30521000\n_cell_length_c 5.56066000\n_cell_angle_alpha 75.00319000\n_cell_angle_beta 77.08032000\n_cell_angle_gamma 73.19565000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 54.35244101\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.10520393 0.34946802 0.31774099 1\n C C1 1 0.30222867 0.74931502 0.51802590 1\n C C2 1 0.30306776 0.49946048 0.76755852 1\n C C3 1 -0.09756084 0.94900886 0.11881828 1\n C C4 1 0.50464848 0.14898361 0.71860804 1\n C C5 1 -0.09794018 0.69917253 0.36818409 1\n C C6 1 0.70385335 0.54965980 0.91737954 1\n C C7 1 0.10518665 0.09902777 0.56852226 1\n C C8 1 0.50338675 0.89887452 -0.03116231 1\n C C9 1 0.70460873 0.29951769 0.16777329 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47388000\n_cell_length_b 4.11790000\n_cell_length_c 4.28084000\n_cell_angle_alpha 89.98792000\n_cell_angle_beta 90.00758000\n_cell_angle_gamma 89.96324000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.60972205\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.29240511 0.74953708 0.08781662 1\n C C1 1 0.29235227 0.24944534 0.42113884 1\n C C2 1 0.79224341 0.87519254 0.92111962 1\n C C3 1 0.79239618 0.24953060 0.92114766 1\n C C4 1 0.29234586 0.37519462 0.08780090 1\n C C5 1 0.79227967 0.37511617 0.58780390 1\n C C6 1 0.79234399 0.74945307 0.58782270 1\n C C7 1 0.29220631 0.87511080 0.42111508 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43024000\n_cell_length_b 3.89105000\n_cell_length_c 5.80219000\n_cell_angle_alpha 125.95168000\n_cell_angle_beta 97.90865000\n_cell_angle_gamma 93.00517000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 43.38138009\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.26996303 0.71555737 0.90311755 1\n C C1 1 0.93662970 0.38222404 0.23645088 1\n C C2 1 0.49141110 0.60484396 0.34626682 1\n C C3 1 0.15807777 0.27151063 0.67960015 1\n C C4 1 0.60329636 0.04889071 0.56978421 1\n C C5 1 0.82474444 -0.06182271 0.01293349 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45612000\n_cell_length_b 3.66575000\n_cell_length_c 6.55442000\n_cell_angle_alpha 71.98757000\n_cell_angle_beta 89.99526000\n_cell_angle_gamma 70.39721000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.51281398\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.95771739 0.22166407 0.83103109 1\n C C1 1 0.23581682 0.66577185 0.50765663 1\n C C2 1 0.44838090 0.24446683 0.31154895 1\n C C3 1 0.22062576 0.69640702 0.26286127 1\n C C4 1 -0.13694921 0.41266731 0.59446727 1\n C C5 1 0.59507112 -0.05117193 0.17505331 1\n C C6 1 0.50003298 0.13702634 0.93835502 1\n C C7 1 0.01147244 1.11862791 0.45721105 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47430000\n_cell_length_b 4.11739000\n_cell_length_c 4.94679000\n_cell_angle_alpha 89.96643000\n_cell_angle_beta 59.97249000\n_cell_angle_gamma 90.00190000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.63227963\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.59312488 0.05573210 0.35731787 1\n C C1 1 0.59256264 0.05578560 0.85734980 1\n C C2 1 0.59309066 0.68095860 0.85704668 1\n C C3 1 0.59363808 0.68081546 0.35701323 1\n C C4 1 0.25931335 0.18092026 0.69059704 1\n C C5 1 0.26021637 0.55570194 0.19038589 1\n C C6 1 0.25988623 0.18084181 0.19051885 1\n C C7 1 0.25965509 0.55580432 0.69046934 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.06421000\n_cell_length_b 3.61711000\n_cell_length_c 10.11083000\n_cell_angle_alpha 91.25333000\n_cell_angle_beta 125.00875000\n_cell_angle_gamma 88.64636000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 91.75748166\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.15745137 0.80482575 0.23523825 1\n C C1 1 0.87467249 0.11438582 0.13884551 1\n C C2 1 1.15790292 0.42324984 0.23546494 1\n C C3 1 -0.09602182 0.61480619 0.48589828 1\n C C4 1 1.12481362 0.42326882 0.88824921 1\n C C5 1 0.61632831 0.30498513 0.39067534 1\n C C6 1 0.61568102 -0.07641805 0.39054094 1\n C C7 1 0.66443651 0.92325662 0.73342581 1\n C C8 1 0.12508993 0.80494368 0.88830160 1\n C C9 1 0.41076237 0.11457559 0.98454287 1\n C C10 1 0.37465529 0.61444572 0.63837569 1\n C C11 1 0.66436148 0.30466259 0.73329735 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49090000\n_cell_length_b 4.07499000\n_cell_length_c 7.09563000\n_cell_angle_alpha 84.14261000\n_cell_angle_beta 100.13014000\n_cell_angle_gamma 89.99234000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.51844270\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.24426740 1.11045935 0.70590493 1\n C C1 1 0.57737260 0.52261065 0.37673013 1\n C C2 1 0.76220946 0.62585745 0.73968093 1\n C C3 1 0.39575400 0.88716525 1.01406590 1\n C C4 1 0.78201801 0.26299792 0.77957820 1\n C C5 1 0.14125182 1.00026350 0.50564406 1\n C C6 1 0.64614042 0.77846386 0.51531114 1\n C C7 1 0.29853418 0.77785880 0.81385381 1\n C C8 1 -0.03872802 0.36604367 0.14285753 1\n C C9 1 0.89093938 0.10994156 1.00413444 1\n C C10 1 0.46506453 0.58066768 0.15079489 1\n C C11 1 1.07334813 0.30739930 0.36913282 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51794000\n_cell_length_b 3.51762000\n_cell_length_c 4.83335000\n_cell_angle_alpha 68.68341000\n_cell_angle_beta 111.32778000\n_cell_angle_gamma 59.96456000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.52032758\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64233197 0.31471153 0.86143148 1\n C C1 1 0.30920222 0.34317958 0.52811328 1\n C C2 1 0.60637574 0.27833002 0.36137680 1\n C C3 1 0.67118940 -0.01860934 0.19471792 1\n C C4 1 0.24389269 0.94506310 0.69458250 1\n C C5 1 0.27278498 -0.08354100 1.02814293 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.41937000\n_cell_length_b 3.96679000\n_cell_length_c 5.48968000\n_cell_angle_alpha 74.95662000\n_cell_angle_beta 86.61353000\n_cell_angle_gamma 70.30158000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 67.66852293\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.23930340 0.92957498 0.81984051 1\n C C1 1 0.94855129 0.58049747 0.65084859 1\n C C2 1 1.14868794 0.58147863 0.88223749 1\n C C3 1 0.97812713 0.30449964 0.31840304 1\n C C4 1 0.84135406 0.24832884 0.73733927 1\n C C5 1 0.57895787 0.29417994 -0.04239178 1\n C C6 1 0.20952522 0.53554576 0.43002776 1\n C C7 1 0.29188990 0.91190547 0.32463092 1\n C C8 1 0.63985289 0.24785556 0.50576663 1\n C C9 1 0.54959014 0.89916949 0.57014450 1\n C C10 1 0.80950942 0.52598112 0.06930230 1\n C C11 1 0.49660834 0.91901450 0.06331767 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45664000\n_cell_length_b 4.26449000\n_cell_length_c 6.78457000\n_cell_angle_alpha 108.44956000\n_cell_angle_beta 100.65216000\n_cell_angle_gamma 89.19456000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 66.18689733\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.47495957 0.28358431 0.99651729 1\n C C1 1 0.58617564 0.04737351 0.64551848 1\n C C2 1 0.17852724 0.23795761 0.75709001 1\n C C3 1 0.62233344 0.68321859 0.64682107 1\n C C4 1 0.74693089 0.77213812 0.32084554 1\n C C5 1 1.14087582 0.60365180 0.75818891 1\n C C6 1 0.16435437 0.27484112 0.32776730 1\n C C7 1 0.62894233 0.65255096 0.08186701 1\n C C8 1 0.03742263 1.14818136 0.07465751 1\n C C9 1 0.30637138 -0.01787554 0.40562727 1\n C C10 1 1.10525111 0.77787260 0.99704479 1\n C C11 1 0.68154167 0.48821026 0.40599294 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.51681000\n_cell_length_b 4.83543000\n_cell_length_c 3.51884000\n_cell_angle_alpha 43.30161000\n_cell_angle_beta 59.98143000\n_cell_angle_gamma 68.63560000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.53488257\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35976130 0.79069176 0.23390385 1\n C C1 1 0.35995502 0.45749509 0.87114315 1\n C C2 1 0.82358888 0.29103051 0.80577659 1\n C C3 1 0.82326499 0.95737685 -0.16487694 1\n C C4 1 0.05519232 0.12410047 0.20467717 1\n C C5 1 0.12835909 0.62416422 0.16817587 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48448000\n_cell_length_b 4.67699000\n_cell_length_c 4.08630000\n_cell_angle_alpha 83.31197000\n_cell_angle_beta 89.99443000\n_cell_angle_gamma 105.40794000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.44036618\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.36011384 0.62021337 0.88882307 1\n C C1 1 1.01614079 0.93238530 0.48222713 1\n C C2 1 -0.47026855 -0.03806556 0.95724849 1\n C C3 1 0.85893361 0.61759010 0.66409844 1\n C C4 1 0.74278624 0.39082787 0.42159621 1\n C C5 1 0.24173433 0.38915611 0.19530635 1\n C C6 1 0.58785959 0.07603095 0.60141209 1\n C C7 1 0.07189185 0.04819997 0.12673772 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.99634000\n_cell_length_b 4.20848000\n_cell_length_c 4.20818000\n_cell_angle_alpha 120.00628000\n_cell_angle_beta 77.72189000\n_cell_angle_gamma 115.05272000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.62964228\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.89098052 0.21063296 0.57494749 1\n C C1 1 -0.10900719 0.54396640 0.24161194 1\n C C2 1 0.89882989 0.21333456 0.24160776 1\n C C3 1 -0.10115670 0.88000142 0.57493952 1\n C C4 1 0.89099393 0.87729983 0.90827925 1\n C C5 1 -0.10116899 0.54666798 0.90827507 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44952000\n_cell_length_b 4.90246000\n_cell_length_c 5.45202000\n_cell_angle_alpha 116.71599000\n_cell_angle_beta 89.98469000\n_cell_angle_gamma 90.02295000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.48217445\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.66833532 0.69207778 0.76673033 1\n C C1 1 0.16832773 0.86545621 0.44021690 1\n C C2 1 0.16826278 0.20940009 0.59660333 1\n C C3 1 0.66819120 0.43729944 0.05874881 1\n C C4 1 0.66859442 0.91229782 0.05843033 1\n C C5 1 0.66837578 0.24678618 0.20262063 1\n C C6 1 0.66812032 0.36545342 0.76679325 1\n C C7 1 0.16838385 0.67821528 0.59611949 1\n C C8 1 0.66841796 0.76886211 0.24671659 1\n C C9 1 0.16830325 0.34133977 0.39132884 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45518000\n_cell_length_b 6.70579000\n_cell_length_c 6.70163000\n_cell_angle_alpha 92.55710000\n_cell_angle_beta 76.42307000\n_cell_angle_gamma 75.53011000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 103.22272539\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.01330145 0.51149465 0.38465559 1\n C C1 1 0.29751761 0.16469419 0.49885609 1\n C C2 1 0.54954682 0.91643492 0.73413686 1\n C C3 1 0.61548962 0.93835744 0.49291236 1\n C C4 1 0.78647257 0.47451051 0.75968431 1\n C C5 1 0.37602067 0.83376654 0.15300880 1\n C C6 1 0.43465563 0.61425183 0.38425338 1\n C C7 1 0.31324337 0.29024940 0.35280642 1\n C C8 1 0.94030082 0.82498511 0.04787235 1\n C C9 1 0.61887655 0.23763772 0.13514627 1\n C C10 1 0.41616737 0.15066355 0.81061019 1\n C C11 1 -0.05635126 0.24322648 0.71517317 1\n C C12 1 0.20603647 0.21291146 1.03366456 1\n C C13 1 0.21473410 0.57924718 0.77818669 1\n C C14 1 1.25011161 0.84162285 0.38541663 1\n C C15 1 0.06691419 0.81230276 0.81427122 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51090000\n_cell_length_b 4.19399000\n_cell_length_c 6.35941000\n_cell_angle_alpha 117.61231000\n_cell_angle_beta 80.60310000\n_cell_angle_gamma 95.93895000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 58.51557535\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.69037422 0.73344134 0.52646104 1\n C C1 1 0.37540455 0.30060087 0.68437288 1\n C C2 1 1.00604084 0.05913541 0.95117190 1\n C C3 1 0.45522516 0.53631662 0.92981084 1\n C C4 1 0.46873359 -0.06668666 1.02578551 1\n C C5 1 0.16723279 0.94370913 0.67253635 1\n C C6 1 0.92741426 0.46144511 0.04407344 1\n C C7 1 0.50606544 0.35620280 0.49420784 1\n C C8 1 0.40342499 0.00244069 0.28611454 1\n C C9 1 -0.15275293 0.78168228 0.29681345 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26635000\n_cell_length_b 3.68810000\n_cell_length_c 4.70664000\n_cell_angle_alpha 75.22915000\n_cell_angle_beta 90.01106000\n_cell_angle_gamma 63.58060000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.67495560\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70731449 -0.13402337 0.38716298 1\n C C1 1 0.57767452 0.86622897 0.88711637 1\n C C2 1 0.75842742 0.19589173 0.75191973 1\n C C3 1 0.14139271 -0.00247499 1.01540032 1\n C C4 1 1.01171408 0.99806100 0.51530900 1\n C C5 1 0.96011592 0.66863978 0.14980227 1\n C C6 1 0.19574877 0.19549135 0.25181269 1\n C C7 1 0.52269338 0.66911622 0.64986454 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.39865000\n_cell_length_b 3.39816000\n_cell_length_c 4.78736000\n_cell_angle_alpha 102.63246000\n_cell_angle_beta 57.34730000\n_cell_angle_gamma 93.87137000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.33904645\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.67272561 0.25227596 0.31177588 1\n C C1 1 0.41856610 -0.07584113 0.75706377 1\n C C2 1 0.01877967 -0.13104907 0.10166314 1\n C C3 1 0.76554460 0.54172255 0.54695297 1\n C C4 1 0.77241659 0.28238474 0.76090250 1\n C C5 1 0.66540714 0.51371352 0.09903609 1\n C C6 1 0.19146113 0.73415463 0.31222265 1\n C C7 1 0.24606946 0.06194061 0.54735000 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45629000\n_cell_length_b 3.66578000\n_cell_length_c 6.90736000\n_cell_angle_alpha 98.19146000\n_cell_angle_beta 69.15119000\n_cell_angle_gamma 70.40101000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.27727268\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64741208 0.80848858 0.83763387 1\n C C1 1 0.33870542 0.99308754 0.55405635 1\n C C2 1 0.66083516 0.50673305 0.97523563 1\n C C3 1 0.62704590 0.24190144 0.64120268 1\n C C4 1 0.35230874 0.69145801 0.69164143 1\n C C5 1 0.32661884 0.70160719 0.21154171 1\n C C6 1 0.37240231 0.25805833 0.88809430 1\n C C7 1 0.67232845 0.79869275 0.31758593 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.52840000\n_cell_length_b 4.56462000\n_cell_length_c 8.24976000\n_cell_angle_alpha 78.38853000\n_cell_angle_beta 72.12281000\n_cell_angle_gamma 73.82613000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 86.32759460\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.70167756 0.56403683 0.58203683 1\n C C1 1 0.44271558 0.28051176 0.98095001 1\n C C2 1 0.99625666 0.04451445 0.54669879 1\n C C3 1 1.10304038 0.19260899 0.36658497 1\n C C4 1 0.67811612 0.11620240 0.82778476 1\n C C5 1 -0.07705462 0.75884042 0.26409091 1\n C C6 1 -0.15316631 0.76818602 0.83244338 1\n C C7 1 0.31014858 0.63608154 0.93554145 1\n C C8 1 0.91029631 0.52367040 0.39379451 1\n C C9 1 0.06513978 0.72957258 0.63510210 1\n C C10 1 0.77974219 0.24735892 0.66220107 1\n C C11 1 0.07604001 0.80308677 0.08739295 1\n C C12 1 0.74137714 0.09738316 0.27615028 1\n C C13 1 -0.08764845 0.14904156 1.07773939 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42634000\n_cell_length_b 6.37641000\n_cell_length_c 6.23632000\n_cell_angle_alpha 38.35367000\n_cell_angle_beta 78.68872000\n_cell_angle_gamma 78.86866000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.58463492\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.20885244 0.37878358 0.85387107 1\n C C1 1 0.30575365 0.51970639 0.68231517 1\n C C2 1 0.00611668 0.89151087 0.92361866 1\n C C3 1 0.45588339 0.84864117 0.06651711 1\n C C4 1 0.77338562 0.04707546 0.22794412 1\n C C5 1 0.65206405 0.04902679 0.46963094 1\n C C6 1 0.33140413 0.85102288 0.30786526 1\n C C7 1 1.10332411 1.00559008 0.61278968 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45949000\n_cell_length_b 6.67928000\n_cell_length_c 4.54346000\n_cell_angle_alpha 74.19177000\n_cell_angle_beta 105.68733000\n_cell_angle_gamma 90.00381000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 68.92180365\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.03294885 0.40258439 1.00522912 1\n C C1 1 0.36574951 0.47503829 0.79971276 1\n C C2 1 0.80149787 0.20128397 0.67475063 1\n C C3 1 0.74802976 1.00686377 0.56993996 1\n C C4 1 0.10202698 0.48484758 0.26977795 1\n C C5 1 0.32380971 0.87893347 0.72098613 1\n C C6 1 0.25608771 0.33790520 0.58076436 1\n C C7 1 -0.01676830 0.16571996 0.04345612 1\n C C8 1 0.51385740 0.83600287 0.09657031 1\n C C9 1 0.09523963 0.71013044 0.25709342 1\n C C10 1 0.55857593 0.04585520 0.19418184 1\n C C11 1 1.27042406 0.69123557 0.60730619 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.26107000\n_cell_length_b 3.63192000\n_cell_length_c 4.23600000\n_cell_angle_alpha 131.50134000\n_cell_angle_beta 84.68907000\n_cell_angle_gamma 104.52109000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 36.18688101\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.45326994 1.24101178 0.75419756 1\n C C1 1 0.86800006 0.48775415 0.38301512 1\n C C2 1 0.13684689 -0.07633161 0.43717628 1\n C C3 1 0.08098288 0.03815937 0.17047863 1\n C C4 1 0.71951732 0.67762420 0.80947446 1\n C C5 1 0.50786542 0.12717511 0.02180325 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48148000\n_cell_length_b 3.68866000\n_cell_length_c 4.21852000\n_cell_angle_alpha 104.92542000\n_cell_angle_beta 89.93906000\n_cell_angle_gamma 109.63422000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98606509\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.58866356 0.32125104 0.70531000 1\n C C1 1 0.81033648 0.76678531 0.91168993 1\n C C2 1 1.13058092 0.40938419 0.20958443 1\n C C3 1 0.55219989 0.25253976 0.34044236 1\n C C4 1 0.33052697 0.80700549 0.13406243 1\n C C5 1 0.01028253 0.16440661 0.83616793 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.40821000\n_cell_length_b 6.24246000\n_cell_length_c 6.69860000\n_cell_angle_alpha 118.73857000\n_cell_angle_beta 111.01860000\n_cell_angle_gamma 90.27372000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.46657238\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21596967 0.28590747 0.16967954 1\n C C1 1 0.55021181 0.88870661 0.00357411 1\n C C2 1 0.77073913 0.65298866 0.21827281 1\n C C3 1 0.70092424 1.08643893 0.65176060 1\n C C4 1 0.25285098 0.53823582 0.20214003 1\n C C5 1 0.46427529 0.30157357 0.41520272 1\n C C6 1 0.80005462 0.90467111 0.24891020 1\n C C7 1 0.56443110 0.13424390 0.01794419 1\n C C8 1 0.45103388 0.05592370 0.40052732 1\n C C9 1 0.69934856 0.53900576 0.65143108 1\n C C10 1 0.31299007 0.65221908 0.76651080 1\n C C11 1 0.31458745 0.10319289 0.76660130 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.41051000\n_cell_length_b 3.58558000\n_cell_length_c 9.26091000\n_cell_angle_alpha 82.61607000\n_cell_angle_beta 67.09724000\n_cell_angle_gamma 70.08635000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.32326371\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17207840 0.75935361 0.76446823 1\n C C1 1 0.66722325 0.53080795 0.51080573 1\n C C2 1 0.81846570 0.48168782 0.76048714 1\n C C3 1 0.34567278 -0.09219563 0.59976023 1\n C C4 1 0.55721422 0.19689667 1.02701382 1\n C C5 1 0.90761484 0.26612995 0.10396927 1\n C C6 1 0.59976633 0.40969367 0.26291229 1\n C C7 1 0.15473351 0.33232429 0.58627602 1\n C C8 1 0.84730010 0.12611790 0.85909948 1\n C C9 1 -0.04695982 0.47208206 0.34008490 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47374000\n_cell_length_b 4.80378000\n_cell_length_c 4.80370000\n_cell_angle_alpha 61.94168000\n_cell_angle_beta 104.93906000\n_cell_angle_gamma 75.10256000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 43.61788287\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.49792865 0.55497602 0.29208381 1\n C C1 1 0.49880598 0.74172092 0.47938749 1\n C C2 1 0.83223127 0.47142294 0.87562356 1\n C C3 1 0.83125950 0.65859583 0.06245288 1\n C C4 1 -0.50120130 1.24168581 -0.02053832 1\n C C5 1 0.83236533 0.97144676 0.37573368 1\n C C6 1 -0.16861500 1.15864229 0.56256092 1\n C C7 1 0.49805136 0.05498265 0.79219548 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.33961000\n_cell_length_b 3.63444000\n_cell_length_c 4.03057000\n_cell_angle_alpha 68.30714000\n_cell_angle_beta 81.20323000\n_cell_angle_gamma 95.72560000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 44.26661463\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.35735011 0.57447261 0.79110168 1\n C C1 1 0.66202090 0.84640297 0.48297693 1\n C C2 1 0.85465716 0.63378512 0.29007379 1\n C C3 1 0.66236711 0.22772355 0.48342737 1\n C C4 1 1.16464996 0.78671562 0.98424841 1\n C C5 1 0.35674146 0.19277224 0.79093663 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46946000\n_cell_length_b 3.78391000\n_cell_length_c 5.68728000\n_cell_angle_alpha 89.99134000\n_cell_angle_beta 64.05737000\n_cell_angle_gamma 89.97912000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.78805854\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62255609 0.72345794 0.61516246 1\n C C1 1 0.62232705 0.32263671 0.61522520 1\n C C2 1 0.28416026 0.82914985 0.45551717 1\n C C3 1 0.41188020 0.02301407 0.82254243 1\n C C4 1 0.55341888 0.33627006 0.18111461 1\n C C5 1 0.73549236 1.02281169 0.99550099 1\n C C6 1 0.55373914 0.70892609 0.18100199 1\n C C7 1 0.28395672 0.21665878 0.45559915 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44617000\n_cell_length_b 5.64223000\n_cell_length_c 8.84582000\n_cell_angle_alpha 116.23030000\n_cell_angle_beta 97.60468000\n_cell_angle_gamma 88.96805000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 108.44080881\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.64619400 0.31573201 0.38252996 1\n C C1 1 0.69129775 0.13577280 0.44911770 1\n C C2 1 -0.02791800 0.26405913 1.01629082 1\n C C3 1 0.19442825 -0.00576640 0.44382262 1\n C C4 1 0.38837714 0.43517132 0.83958653 1\n C C5 1 0.04367693 -0.14611086 0.11748968 1\n C C6 1 0.24917530 0.87149489 0.56109569 1\n C C7 1 0.52136016 0.94421868 0.07960629 1\n C C8 1 0.82333526 0.67345083 0.71197832 1\n C C9 1 0.77839830 0.82497024 0.62090385 1\n C C10 1 0.47589040 0.12353316 0.01232185 1\n C C11 1 0.10728402 0.75722002 0.24323196 1\n C C12 1 0.91765467 0.38812269 0.89947296 1\n C C13 1 0.05997091 0.50101062 0.21789141 1\n C C14 1 1.12382362 0.40601775 0.34452997 1\n C C15 1 0.34315220 0.58769392 0.74895348 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.60712000\n_cell_length_b 3.60894000\n_cell_length_c 8.52551000\n_cell_angle_alpha 67.15227000\n_cell_angle_beta 105.93660000\n_cell_angle_gamma 124.49311000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 84.07672939\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.37778059 0.33476625 0.78903196 1\n C C1 1 0.86861612 0.50049697 0.57476937 1\n C C2 1 0.95106820 0.65875503 0.00229294 1\n C C3 1 0.48752474 0.01836133 0.21499135 1\n C C4 1 0.74458294 0.12631941 0.07506145 1\n C C5 1 0.60014663 0.74756416 0.86492908 1\n C C6 1 0.79112111 0.41987257 0.28927311 1\n C C7 1 0.28018517 0.56641867 0.36505212 1\n C C8 1 0.67966178 0.69197776 0.63887404 1\n C C9 1 0.32841961 0.77979549 0.50195863 1\n C C10 1 0.41090617 0.93876442 -0.07090091 1\n C C11 1 0.99873806 0.87159249 0.13948724 1\n C C12 1 0.90199507 0.10455903 0.71506881 1\n C C13 1 0.53458882 0.31189443 0.42946491 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.27534000\n_cell_length_b 5.42608000\n_cell_length_c 5.81101000\n_cell_angle_alpha 62.46910000\n_cell_angle_beta 75.59424000\n_cell_angle_gamma 58.49738000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 101.91755690\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92953585 -0.06366488 0.58739562 1\n C C1 1 0.12777129 0.24202670 0.88777844 1\n C C2 1 0.45523002 0.24280325 0.88862391 1\n C C3 1 0.89101297 0.80340620 0.45297879 1\n C C4 1 0.84257251 0.52272570 0.16982133 1\n C C5 1 0.20457965 0.65755581 0.31483816 1\n C C6 1 0.25838998 0.93502283 0.58750130 1\n C C7 1 0.56364473 0.80255729 0.45212204 1\n C C8 1 0.76041194 0.11090337 0.75278904 1\n C C9 1 0.48285815 0.38653158 1.02701719 1\n C C10 1 0.17662370 0.52063543 0.17286406 1\n C C11 1 0.53598966 0.65800418 0.31461018 1\n C C12 1 0.81432410 0.38707397 1.02668896 1\n C C13 1 0.08927595 0.10959638 0.75288540 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48438000\n_cell_length_b 5.01249000\n_cell_length_c 4.04871000\n_cell_angle_alpha 113.83584000\n_cell_angle_beta 101.03898000\n_cell_angle_gamma 85.57526000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.26466089\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.97833773 0.86983252 1.05641012 1\n C C1 1 0.29811151 0.67931683 0.57136077 1\n C C2 1 0.11476417 0.15324237 0.38708227 1\n C C3 1 0.79835071 0.86992422 0.66674104 1\n C C4 1 1.16740705 0.39508698 0.23906772 1\n C C5 1 0.66717585 0.15365949 0.61853359 1\n C C6 1 0.47811531 0.67952322 0.96123193 1\n C C7 1 0.61496916 0.39551868 1.00855557 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43201000\n_cell_length_b 5.79004000\n_cell_length_c 5.70108000\n_cell_angle_alpha 66.93943000\n_cell_angle_beta 101.11340000\n_cell_angle_gamma 99.61189000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 72.10627550\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.04933567 0.87439751 0.49554019 1\n C C1 1 0.45068012 0.07470738 0.09568063 1\n C C2 1 0.24610553 0.47426022 0.29542665 1\n C C3 1 0.51643781 -0.06016784 0.36197259 1\n C C4 1 0.84880582 0.27448960 0.69562020 1\n C C5 1 0.31364441 0.33953827 0.56177984 1\n C C6 1 0.71216108 0.53964411 0.16170449 1\n C C7 1 0.91642035 0.13995318 0.96194819 1\n C C8 1 0.64666316 0.67426487 0.89538607 1\n C C9 1 0.11388414 0.73972281 0.76181325 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48301000\n_cell_length_b 4.26565000\n_cell_length_c 5.56596000\n_cell_angle_alpha 104.91729000\n_cell_angle_beta 89.98839000\n_cell_angle_gamma 89.99146000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 56.96590857\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.92300697 1.00765571 0.41088464 1\n C C1 1 0.42317040 0.12724498 0.30008446 1\n C C2 1 -0.07743779 0.22839989 0.67669767 1\n C C3 1 0.92232756 0.54655271 0.05925103 1\n C C4 1 0.42249701 0.49494944 0.42367565 1\n C C5 1 0.92257611 0.17881063 0.93616154 1\n C C6 1 0.42230875 0.66600284 0.94823551 1\n C C7 1 0.42264405 1.03180790 1.01658289 1\n C C8 1 0.42247476 0.44466450 0.68293965 1\n C C9 1 -0.07752904 0.64182131 0.34302015 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.51110000\n_cell_length_b 5.42175000\n_cell_length_c 4.93270000\n_cell_angle_alpha 55.00229000\n_cell_angle_beta 59.45315000\n_cell_angle_gamma 62.42451000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.95807486\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60499886 0.50231589 0.80601399 1\n C C1 1 0.37146913 0.69885839 0.34078016 1\n C C2 1 0.71200896 1.01896794 0.68114038 1\n C C3 1 0.34525263 0.01901600 1.04745385 1\n C C4 1 0.63003085 0.18222878 0.09939913 1\n C C5 1 0.26407730 0.18232242 0.46587648 1\n C C6 1 -0.03050757 0.50261632 0.43872966 1\n C C7 1 0.00670154 0.69849956 0.70793226 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45665000\n_cell_length_b 3.66048000\n_cell_length_c 6.37685000\n_cell_angle_alpha 75.03830000\n_cell_angle_beta 90.03357000\n_cell_angle_gamma 109.63901000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.94264086\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55791758 0.28273962 0.56239100 1\n C C1 1 0.33491716 0.83481151 0.61527957 1\n C C2 1 0.28482693 0.73045654 0.24144015 1\n C C3 1 -0.16308778 0.83446521 0.13680757 1\n C C4 1 0.55524950 0.27711225 0.81357098 1\n C C5 1 0.78100599 0.72534171 0.76082417 1\n C C6 1 -0.06568841 0.03288541 0.90010909 1\n C C7 1 1.18112893 0.52728076 0.47687178 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.70147000\n_cell_length_b 4.68645000\n_cell_length_c 4.75737000\n_cell_angle_alpha 67.73930000\n_cell_angle_beta 71.84369000\n_cell_angle_gamma 74.69948000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 52.23205595\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.53482521 0.32314619 0.58541919 1\n C C1 1 0.82363133 0.12940401 0.10215994 1\n C C2 1 0.69441373 0.83159024 0.26461549 1\n C C3 1 1.03794119 0.15256735 0.75671696 1\n C C4 1 0.75040743 0.34766339 0.23899523 1\n C C5 1 0.42753611 0.66921890 0.56162357 1\n C C6 1 0.88067914 0.64493165 0.07710254 1\n C C7 1 0.14577316 0.80760568 0.77951658 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48687000\n_cell_length_b 4.30337000\n_cell_length_c 4.30369000\n_cell_angle_alpha 131.79284000\n_cell_angle_beta 73.22065000\n_cell_angle_gamma 106.76465000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.57777850\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.76176760 0.74412417 0.15683875 1\n C C1 1 0.42866416 0.41081018 0.49015656 1\n C C2 1 0.59544770 0.82759352 0.57362789 1\n C C3 1 -0.07123185 0.16089469 0.24026170 1\n C C4 1 0.26188009 0.49421814 0.90692417 1\n C C5 1 0.09534351 1.07747601 0.82352094 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43389000\n_cell_length_b 5.38250000\n_cell_length_c 4.97635000\n_cell_angle_alpha 108.31001000\n_cell_angle_beta 102.48044000\n_cell_angle_gamma 101.46648000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.87405426\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.54427887 0.98675750 1.00192024 1\n C C1 1 0.54431631 0.48672695 0.50181934 1\n C C2 1 1.04379854 0.40290005 0.58471552 1\n C C3 1 1.04539584 0.23814718 0.75325253 1\n C C4 1 0.54491010 0.15434218 0.83602308 1\n C C5 1 0.54249934 0.65128614 0.33301947 1\n C C6 1 1.04345370 0.90254126 1.08414709 1\n C C7 1 0.04296400 0.73506264 0.25021503 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48242000\n_cell_length_b 3.74832000\n_cell_length_c 3.84201000\n_cell_angle_alpha 89.97740000\n_cell_angle_beta 89.97612000\n_cell_angle_gamma 89.99236000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.74953007\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60196530 1.07146919 0.38090318 1\n C C1 1 0.10198053 0.30734012 0.79132479 1\n C C2 1 0.60188211 0.80376291 0.08591637 1\n C C3 1 0.10186185 0.30719896 0.38076107 1\n C C4 1 0.60203545 0.07168438 0.79148611 1\n C C5 1 1.10188057 0.57513045 0.08581588 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43114000\n_cell_length_b 3.89989000\n_cell_length_c 4.72394000\n_cell_angle_alpha 95.81408000\n_cell_angle_beta 105.86617000\n_cell_angle_gamma 90.84058000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 42.81856264\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42371269 0.72711700 0.90352275 1\n C C1 1 0.64359708 0.28014238 0.34652585 1\n C C2 1 0.31058728 0.94707747 0.68009806 1\n C C3 1 -0.02217672 0.61509424 1.01415921 1\n C C4 1 0.08948648 0.39216515 0.23588938 1\n C C5 1 0.75672249 0.06018192 0.56995054 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47300000\n_cell_length_b 7.82619000\n_cell_length_c 5.74053000\n_cell_angle_alpha 54.33115000\n_cell_angle_beta 64.47547000\n_cell_angle_gamma 89.95566000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 76.54924368\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.52871398 0.43101283 0.63926303 1\n C C1 1 0.61115381 0.42281762 1.05674773 1\n C C2 1 0.92282095 0.10720840 0.74428088 1\n C C3 1 0.56266138 0.74591873 0.10455630 1\n C C4 1 -0.04252549 0.42247022 0.21023959 1\n C C5 1 0.95808629 0.92229440 0.70976872 1\n C C6 1 0.61165264 0.92248765 0.55639638 1\n C C7 1 0.87529024 -0.06978774 0.29241960 1\n C C8 1 0.92324773 0.60724530 0.24450362 1\n C C9 1 0.56174565 0.24592954 0.60484295 1\n C C10 1 0.52887408 0.93081189 0.13881802 1\n C C11 1 -0.12482266 0.43057155 0.79279609 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45424000\n_cell_length_b 3.95528000\n_cell_length_c 10.53631000\n_cell_angle_alpha 85.51052000\n_cell_angle_beta 83.46290000\n_cell_angle_gamma 57.58884000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C14\n_cell_volume 85.76606479\n_cell_formula_units_Z 14\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.28706066 0.36393232 0.14812533 1\n C C1 1 0.65159817 0.64887350 0.90161087 1\n C C2 1 0.49190536 0.11182713 0.26808188 1\n C C3 1 0.64339658 -0.00374472 0.68090998 1\n C C4 1 0.44289299 0.61511631 0.39545695 1\n C C5 1 0.38852201 0.36543456 0.90092039 1\n C C6 1 0.27430071 0.96849676 0.47859199 1\n C C7 1 0.54421004 0.61722527 0.14826511 1\n C C8 1 0.55721527 0.01134415 0.81778797 1\n C C9 1 1.23705044 0.85345859 0.26832091 1\n C C10 1 0.34003483 -0.13058586 0.02831721 1\n C C11 1 0.18986313 0.98103270 0.61552281 1\n C C12 1 0.18006678 0.33110029 0.39490347 1\n C C13 1 0.59475834 0.12728940 0.02805742 1", + "input": "C14", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47383000\n_cell_length_b 7.25034000\n_cell_length_c 5.43449000\n_cell_angle_alpha 104.76644000\n_cell_angle_beta 90.31020000\n_cell_angle_gamma 97.73241000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 93.31706657\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78031368 0.34550396 0.10244129 1\n C C1 1 1.14684603 0.87579818 0.82423837 1\n C C2 1 -0.19618723 0.42439812 0.87212450 1\n C C3 1 0.40317728 0.64046246 0.21675176 1\n C C4 1 0.11942117 0.98108374 0.42082496 1\n C C5 1 0.67920542 0.99659706 -0.16434773 1\n C C6 1 0.95456212 0.74833795 0.34400312 1\n C C7 1 0.70120663 0.13371235 0.09360727 1\n C C8 1 0.27042692 0.30928577 0.45354033 1\n C C9 1 0.76068651 0.28840285 0.60595392 1\n C C10 1 0.19091875 0.11397502 0.24525105 1\n C C11 1 0.35784264 0.67565823 0.74156027 1\n C C12 1 0.89637384 0.71286287 0.60821548 1\n C C13 1 0.35197768 0.55263177 0.91741638 1\n C C14 1 0.31691037 0.42938900 0.25468389 1\n C C15 1 0.67251700 0.06269747 0.58674684 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.46362000\n_cell_length_b 3.39330000\n_cell_length_c 5.28604000\n_cell_angle_alpha 86.64710000\n_cell_angle_beta 89.97263000\n_cell_angle_gamma 68.72739000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 41.09862581\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.19656406 0.78779216 0.52300181 1\n C C1 1 0.96819436 0.24119205 0.45190757 1\n C C2 1 0.37526973 0.42799868 0.32521602 1\n C C3 1 0.34153268 0.49583635 0.05017755 1\n C C4 1 0.79055310 0.59927498 0.64828123 1\n C C5 1 -0.17583114 0.53016428 0.92346002 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44783000\n_cell_length_b 5.87586000\n_cell_length_c 6.13235000\n_cell_angle_alpha 87.92024000\n_cell_angle_beta 89.91002000\n_cell_angle_gamma 114.58210000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 80.14181343\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.16543967 0.64887101 0.11987356 1\n C C1 1 -0.01337487 -0.02714722 0.90435298 1\n C C2 1 0.46920354 0.95055234 0.43588560 1\n C C3 1 -0.07883133 0.40265504 0.17904048 1\n C C4 1 0.21446784 0.69598046 0.53049485 1\n C C5 1 1.29875582 0.28019346 0.25835392 1\n C C6 1 0.59498366 0.57603059 0.56156687 1\n C C7 1 0.33020708 0.31174120 0.53239223 1\n C C8 1 0.82151901 0.80543589 0.10418497 1\n C C9 1 0.68681718 0.16827019 0.59626337 1\n C C10 1 0.56569739 1.05133317 0.81805600 1\n C C11 1 0.01383892 0.99453995 0.29581097 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48125000\n_cell_length_b 3.68927000\n_cell_length_c 4.21577000\n_cell_angle_alpha 104.76561000\n_cell_angle_beta 90.01122000\n_cell_angle_gamma 109.64832000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.98728394\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.07406979 0.57826002 0.82851920 1\n C C1 1 0.39489174 0.21887979 0.12640121 1\n C C2 1 -0.12424387 0.18057331 0.90400856 1\n C C3 1 0.65241076 0.73536383 0.69770461 1\n C C4 1 0.19773703 0.82079805 0.20142076 1\n C C5 1 0.61949196 0.66434600 0.33257095 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.23976000\n_cell_length_b 3.58937000\n_cell_length_c 4.38619000\n_cell_angle_alpha 92.13908000\n_cell_angle_beta 65.56862000\n_cell_angle_gamma 72.67619000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 57.01805453\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50996599 0.05194585 0.09868163 1\n C C1 1 0.69705450 0.33921315 0.63028651 1\n C C2 1 0.19416866 -0.18825466 0.65199632 1\n C C3 1 0.82502352 0.04987998 0.78976003 1\n C C4 1 0.51065186 0.80896226 0.34355101 1\n C C5 1 0.82698754 0.49663277 0.33692782 1\n C C6 1 0.19205313 0.36488441 1.10653622 1\n C C7 1 0.32110440 0.52606464 0.81489726 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48111000\n_cell_length_b 3.68834000\n_cell_length_c 4.21679000\n_cell_angle_alpha 75.16079000\n_cell_angle_beta 89.99994000\n_cell_angle_gamma 70.36817000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.97604357\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.63673690 0.92624129 1.04052984 1\n C C1 1 0.38053993 0.44165218 0.46932454 1\n C C2 1 0.86109071 0.48066049 0.24693508 1\n C C3 1 0.60485598 -0.00408188 0.67560671 1\n C C4 1 0.18283142 0.83965570 0.54451004 1\n C C5 1 0.05814246 0.08352191 0.17122929 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48052000\n_cell_length_b 5.03941000\n_cell_length_c 5.04101000\n_cell_angle_alpha 65.63274000\n_cell_angle_beta 89.98714000\n_cell_angle_gamma 89.99607000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 57.40107239\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.42946764 -0.01760559 0.33133947 1\n C C1 1 0.42989710 0.21598457 0.83956642 1\n C C2 1 0.92947958 0.76276823 0.81842728 1\n C C3 1 0.42954766 0.29880907 0.11299086 1\n C C4 1 0.42961808 0.49120791 0.56462166 1\n C C5 1 0.92959211 0.55367483 0.37205294 1\n C C6 1 0.92949402 0.46959711 0.11069530 1\n C C7 1 -0.07043698 0.88079961 0.22931882 1\n C C8 1 0.92985935 1.02304267 0.90288571 1\n C C9 1 0.42946645 0.76549370 0.64749285 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42848000\n_cell_length_b 4.15714000\n_cell_length_c 6.24986000\n_cell_angle_alpha 105.49659000\n_cell_angle_beta 78.80962000\n_cell_angle_gamma 90.02939000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 59.55789605\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.32339213 0.45386468 0.17629293 1\n C C1 1 0.12689771 0.92999389 0.58506318 1\n C C2 1 0.02626065 0.82253692 0.78591889 1\n C C3 1 0.47415186 0.78113957 -0.11284558 1\n C C4 1 0.79469786 -0.02472229 0.24286789 1\n C C5 1 0.35129988 0.78404912 0.13045141 1\n C C6 1 0.67786015 -0.02729507 0.48453007 1\n C C7 1 0.80911614 0.30955229 0.20331831 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43144000\n_cell_length_b 6.44690000\n_cell_length_c 4.82489000\n_cell_angle_alpha 83.64088000\n_cell_angle_beta 59.65521000\n_cell_angle_gamma 79.18733000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 64.09971445\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.32306650 0.07827268 -0.01041978 1\n C C1 1 -0.00386517 0.03870147 0.33882937 1\n C C2 1 0.30276672 0.13509707 0.48415042 1\n C C3 1 0.69374942 0.47453852 0.42536425 1\n C C4 1 0.61098796 0.69895492 0.39573068 1\n C C5 1 0.23453349 0.36704622 0.43911030 1\n C C6 1 -0.03032609 0.09643658 0.83315539 1\n C C7 1 1.06856036 0.80582804 0.38340137 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44166000\n_cell_length_b 6.50936000\n_cell_length_c 5.55705000\n_cell_angle_alpha 115.20456000\n_cell_angle_beta 98.17373000\n_cell_angle_gamma 86.47819000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 79.10110504\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.80194507 0.30990230 0.41587478 1\n C C1 1 0.65382582 0.71433742 0.34450447 1\n C C2 1 0.18624333 -0.13824359 0.04075425 1\n C C3 1 0.04405003 0.39937107 -0.01510137 1\n C C4 1 0.86990484 0.10232880 0.45911810 1\n C C5 1 0.27069224 0.39978414 0.38886629 1\n C C6 1 0.44790628 0.10167798 0.61893833 1\n C C7 1 0.58882297 0.87539006 0.65196848 1\n C C8 1 0.12818111 0.85980042 0.79504731 1\n C C9 1 0.15424047 0.56777862 0.27081049 1\n C C10 1 0.72457685 -0.12225509 0.19952013 1\n C C11 1 0.51433640 0.30866635 0.86951204 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48699000\n_cell_length_b 4.05900000\n_cell_length_c 4.69776000\n_cell_angle_alpha 74.00620000\n_cell_angle_beta 89.99651000\n_cell_angle_gamma 89.98402000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.58678965\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.83186675 0.64070730 0.52748081 1\n C C1 1 0.33131583 0.10782618 0.57119634 1\n C C2 1 0.83161676 0.67372228 0.99380521 1\n C C3 1 0.33179018 0.44794351 0.98878299 1\n C C4 1 0.33196464 0.43951214 0.64247048 1\n C C5 1 0.33146908 0.09945297 0.22494971 1\n C C6 1 0.83141164 0.90660255 0.68612461 1\n C C7 1 -0.16836238 0.87392067 0.22001045 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.43478000\n_cell_length_b 3.43793000\n_cell_length_c 4.18220000\n_cell_angle_alpha 79.68595000\n_cell_angle_beta 100.26694000\n_cell_angle_gamma 86.83972000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 47.61601459\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.22334149 0.85039257 0.46793823 1\n C C1 1 0.79087962 0.31531171 -0.11127005 1\n C C2 1 0.54728290 0.55872355 0.27771064 1\n C C3 1 0.88501567 0.22105275 0.26725011 1\n C C4 1 0.25589080 0.32905410 0.46809438 1\n C C5 1 0.45353185 0.65245873 0.90006069 1\n C C6 1 0.56182133 1.02418105 0.69943074 1\n C C7 1 1.08214012 0.54418795 0.69924326 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43242000\n_cell_length_b 4.42191000\n_cell_length_c 5.88658000\n_cell_angle_alpha 71.64641000\n_cell_angle_beta 83.03127000\n_cell_angle_gamma 99.11725000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 58.33692721\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.21534333 0.90206058 0.59062677 1\n C C1 1 0.21521300 0.40171275 0.09087593 1\n C C2 1 0.71466203 0.15064028 0.84175896 1\n C C3 1 0.21587259 0.06842806 0.75670091 1\n C C4 1 0.21586185 0.56841124 0.25672275 1\n C C5 1 0.71519129 0.31700776 0.00783309 1\n C C6 1 0.71532162 0.81735559 0.50758394 1\n C C7 1 0.71467277 0.65065710 0.34173712 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48155000\n_cell_length_b 3.66455000\n_cell_length_c 5.57301000\n_cell_angle_alpha 109.23205000\n_cell_angle_beta 102.89406000\n_cell_angle_gamma 90.00508000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.49537046\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.09964753 0.66883980 0.26305494 1\n C C1 1 0.36463952 0.19626589 0.79575013 1\n C C2 1 0.59950603 0.42941602 0.26290211 1\n C C3 1 0.48306232 0.05629015 0.03819452 1\n C C4 1 0.75152748 0.58425806 0.57163381 1\n C C5 1 -0.13538235 0.43494682 0.79578201 1\n C C6 1 0.98308633 0.81674849 1.03800732 1\n C C7 1 0.25147263 -0.17734304 0.57157366 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.45315000\n_cell_length_b 3.40300000\n_cell_length_c 5.34759000\n_cell_angle_alpha 81.96984000\n_cell_angle_beta 97.61671000\n_cell_angle_gamma 87.82055000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.57228693\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15545666 0.42267518 0.02066764 1\n C C1 1 0.34127272 0.20452418 0.82320713 1\n C C2 1 0.65403634 0.43124463 0.68186633 1\n C C3 1 0.87569881 -0.03679188 0.41810264 1\n C C4 1 0.84267147 0.19646337 0.16200970 1\n C C5 1 0.62593420 0.90961113 -0.00086262 1\n C C6 1 -0.02005664 0.07490596 0.67334886 1\n C C7 1 0.62014471 0.66636808 0.42571166 1\n C C8 1 0.87115477 0.71843730 0.84369260 1\n C C9 1 0.51672396 0.55413485 0.17014348 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.53480000\n_cell_length_b 3.34094000\n_cell_length_c 5.37609000\n_cell_angle_alpha 85.74328000\n_cell_angle_beta 92.18242000\n_cell_angle_gamma 104.15090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 61.37979295\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.00118446 0.60212694 0.19969131 1\n C C1 1 0.05756136 -0.13064558 0.38015796 1\n C C2 1 0.72902854 0.87242729 0.54011451 1\n C C3 1 0.81641491 0.16072498 0.75376344 1\n C C4 1 0.54293057 0.43251418 0.62037310 1\n C C5 1 0.60239822 0.34288874 0.16464528 1\n C C6 1 0.51143364 1.04130723 0.95696180 1\n C C7 1 0.45337238 0.13173738 0.41365423 1\n C C8 1 0.23827180 0.31285337 0.82504367 1\n C C9 1 0.32653726 0.60138746 0.03796590 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.30936000\n_cell_length_b 3.30181000\n_cell_length_c 5.18235000\n_cell_angle_alpha 65.27219000\n_cell_angle_beta 95.94563000\n_cell_angle_gamma 79.68347000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 49.58322227\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.17580075 0.60808305 1.05472284 1\n C C1 1 0.40467127 0.68912745 0.51301720 1\n C C2 1 0.08482508 0.54196281 0.34005445 1\n C C3 1 0.62373987 0.31199529 0.79829664 1\n C C4 1 0.50349485 0.28258745 0.05430929 1\n C C5 1 0.72154051 0.90553238 0.33928826 1\n C C6 1 0.95106169 0.98456803 0.79910991 1\n C C7 1 0.04139398 0.05137075 0.51322912 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48051000\n_cell_length_b 3.68711000\n_cell_length_c 4.21783000\n_cell_angle_alpha 104.94206000\n_cell_angle_beta 89.89329000\n_cell_angle_gamma 109.59657000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 34.96063132\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.86632699 0.69789452 0.05074308 1\n C C1 1 0.44487410 0.85505717 0.92000219 1\n C C2 1 -0.01498632 0.94215769 0.42399992 1\n C C3 1 0.40707697 0.78592920 0.55504165 1\n C C4 1 0.18724288 0.34014430 0.34844207 1\n C C5 1 0.66757140 0.30054942 0.12647039 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47852000\n_cell_length_b 4.28715000\n_cell_length_c 6.77813000\n_cell_angle_alpha 102.16647000\n_cell_angle_beta 111.43466000\n_cell_angle_gamma 90.00031000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 65.30049031\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.22366341 0.39985722 0.16759902 1\n C C1 1 0.30773172 0.76158691 0.25164319 1\n C C2 1 0.80777176 0.26157087 0.25167625 1\n C C3 1 0.72362064 0.89982409 0.16754352 1\n C C4 1 0.55885502 0.84519619 0.50257894 1\n C C5 1 0.14229678 1.03928715 0.58595053 1\n C C6 1 0.47275594 0.81539325 -0.08341303 1\n C C7 1 0.88958579 0.62095150 0.83317401 1\n C C8 1 1.05933905 0.34517832 0.50263688 1\n C C9 1 0.38959172 1.12093963 0.83317448 1\n C C10 1 0.97291275 0.31541934 0.91658301 1\n C C11 1 0.64276611 0.53931494 0.58596879 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.43028000\n_cell_length_b 4.16728000\n_cell_length_c 6.42332000\n_cell_angle_alpha 91.23905000\n_cell_angle_beta 100.85881000\n_cell_angle_gamma 90.01177000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 63.87282190\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.62313855 0.46531208 0.70192456 1\n C C1 1 0.26950180 0.92183923 0.99006858 1\n C C2 1 0.13194126 0.30970615 0.71932783 1\n C C3 1 0.60442675 0.81097773 0.66064132 1\n C C4 1 1.15190487 -0.03696398 0.75781243 1\n C C5 1 0.93547419 0.86119851 0.32073199 1\n C C6 1 0.48837539 0.84175236 0.42711579 1\n C C7 1 0.82275099 0.90299272 0.09708088 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44630000\n_cell_length_b 5.79715000\n_cell_length_c 6.23390000\n_cell_angle_alpha 62.26554000\n_cell_angle_beta 93.76187000\n_cell_angle_gamma 98.21584000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 77.44666425\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.65631646 0.95096888 0.59499730 1\n C C1 1 0.84853820 0.77807864 0.14719936 1\n C C2 1 0.28407949 0.63357464 0.14721211 1\n C C3 1 0.15260496 0.38741068 0.59544802 1\n C C4 1 -0.36426069 0.20486383 0.36987964 1\n C C5 1 0.63536027 0.42813346 0.92289978 1\n C C6 1 0.15333070 0.83730523 0.69737250 1\n C C7 1 0.65587420 0.39920327 0.69742609 1\n C C8 1 0.18135464 0.35926019 0.37006783 1\n C C9 1 0.97291960 0.00958259 1.14673275 1\n C C10 1 0.53691015 0.15399250 1.14669827 1\n C C11 1 0.18127252 0.58339149 0.92297125 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.50249000\n_cell_length_b 5.15187000\n_cell_length_c 7.85245000\n_cell_angle_alpha 76.18300000\n_cell_angle_beta 90.00294000\n_cell_angle_gamma 103.97977000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C16\n_cell_volume 95.21782431\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.77858416 0.39093264 0.19783710 1\n C C1 1 0.53869655 0.91139384 0.61539680 1\n C C2 1 0.49182190 0.81982298 0.43680784 1\n C C3 1 1.16817141 0.17747985 0.79716981 1\n C C4 1 -0.58072094 0.67381498 0.76203687 1\n C C5 1 0.96162357 0.76149237 0.16779645 1\n C C6 1 1.11532693 0.06652836 0.62682615 1\n C C7 1 0.03798959 0.91195481 0.32256165 1\n C C8 1 0.20590766 0.24567938 0.28731174 1\n C C9 1 1.22431243 0.28919334 0.46383972 1\n C C10 1 0.30642503 0.45930920 0.69398766 1\n C C11 1 0.34419885 0.52438607 0.51346193 1\n C C12 1 0.64723224 0.13605799 0.92010952 1\n C C13 1 0.78761632 0.41047830 0.00574287 1\n C C14 1 0.38056109 0.59809329 0.94874972 1\n C C15 1 0.49543681 0.83004301 1.05149239 1", + "input": "C16", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48731000\n_cell_length_b 3.51709000\n_cell_length_c 4.30458000\n_cell_angle_alpha 114.09939000\n_cell_angle_beta 106.75609000\n_cell_angle_gamma 90.02336000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 32.61315661\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.55325211 0.38575752 0.84511731 1\n C C1 1 0.88663384 0.71914366 0.51179703 1\n C C2 1 0.38671213 0.96930053 0.51171166 1\n C C3 1 0.21993918 1.05244710 0.17845544 1\n C C4 1 0.72002506 0.30261095 0.17837353 1\n C C5 1 0.05333040 0.63591438 0.84503194 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45073000\n_cell_length_b 6.35941000\n_cell_length_c 8.99593000\n_cell_angle_alpha 121.85359000\n_cell_angle_beta 98.26955000\n_cell_angle_gamma 89.06785000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C20\n_cell_volume 117.55340324\n_cell_formula_units_Z 20\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.50074227 0.78543175 0.73893902 1\n C C1 1 0.35477772 0.85805700 0.22697834 1\n C C2 1 0.44119088 0.30214620 0.55557879 1\n C C3 1 0.37108606 0.72213921 0.31933617 1\n C C4 1 0.99931789 0.07144677 0.67190291 1\n C C5 1 0.97011344 0.96840013 1.03370975 1\n C C6 1 0.80516511 0.36207435 0.99596436 1\n C C7 1 0.89206598 0.68240794 0.37708604 1\n C C8 1 0.51917988 0.99986300 0.71016358 1\n C C9 1 0.32469272 0.14282569 0.35253880 1\n C C10 1 0.50483916 0.13540988 1.10600572 1\n C C11 1 0.70807341 0.54516344 0.94205460 1\n C C12 1 0.35288839 0.31357857 1.04978392 1\n C C13 1 0.12323128 0.53215043 0.83649989 1\n C C14 1 1.03869832 0.77718353 0.83623480 1\n C C15 1 0.77101870 0.24182745 0.30662322 1\n C C16 1 0.42726355 0.54851366 0.55753098 1\n C C17 1 -0.12061643 0.52125227 0.44907970 1\n C C18 1 0.82576830 0.80068067 1.10874775 1\n C C19 1 0.99619757 0.29139384 0.64963066 1", + "input": "C20", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.37613000\n_cell_length_b 4.60337000\n_cell_length_c 4.07938000\n_cell_angle_alpha 51.36215000\n_cell_angle_beta 79.74349000\n_cell_angle_gamma 66.45568000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 45.17357177\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.60621356 0.85428548 0.66213528 1\n C C1 1 0.41042168 0.48594661 0.50585767 1\n C C2 1 0.26249433 0.21835712 0.93312513 1\n C C3 1 0.77804907 0.19109053 0.48286929 1\n C C4 1 0.92540475 0.45894524 1.05552875 1\n C C5 1 0.58197083 0.82282409 0.32666794 1\n C C6 1 0.03966420 0.67608406 0.18608791 1\n C C7 1 0.14823059 0.00126527 0.80258255 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45667000\n_cell_length_b 3.65845000\n_cell_length_c 6.80559000\n_cell_angle_alpha 83.62848000\n_cell_angle_beta 111.17678000\n_cell_angle_gamma 70.39047000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 51.81603933\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.44127498 0.19128682 0.69672432 1\n C C1 1 0.73644098 0.74492209 0.26921110 1\n C C2 1 0.48515349 0.74540267 1.01848367 1\n C C3 1 0.46001702 0.19176216 0.21722362 1\n C C4 1 0.77801428 -0.01220240 0.93209866 1\n C C5 1 0.76154630 0.29815780 0.07162014 1\n C C6 1 0.78321536 0.29890319 0.59237210 1\n C C7 1 0.44548129 0.50163637 0.35653250 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.48429000\n_cell_length_b 3.82447000\n_cell_length_c 5.98238000\n_cell_angle_alpha 68.27389000\n_cell_angle_beta 102.03049000\n_cell_angle_gamma 71.01565000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 46.29878264\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.38812176 0.19807811 1.01201167 1\n C C1 1 0.34616865 0.61448988 0.34001128 1\n C C2 1 -0.08609074 0.92350490 0.78903955 1\n C C3 1 1.00741385 0.12668316 0.17722271 1\n C C4 1 0.57515446 0.43569818 0.62625098 1\n C C5 1 0.06946224 0.55214242 0.73240474 1\n C C6 1 0.85186087 0.49804564 0.23385753 1\n C C7 1 0.53320135 0.85210995 -0.04574941 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.34866000\n_cell_length_b 2.46587000\n_cell_length_c 6.11350000\n_cell_angle_alpha 79.04009000\n_cell_angle_beta 121.44713000\n_cell_angle_gamma 110.87276000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 40.23989592\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.90444722 0.71969572 0.68782114 1\n C C1 1 0.25495154 0.09879333 0.28876276 1\n C C2 1 0.43509113 0.28843386 0.08499696 1\n C C3 1 0.55281330 0.68421082 0.41377047 1\n C C4 1 1.08126172 0.24600909 0.81135748 1\n C C5 1 0.73329418 0.87442118 0.20996189 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42420000\n_cell_length_b 7.56460000\n_cell_length_c 8.97448000\n_cell_angle_alpha 68.82772000\n_cell_angle_beta 90.19076000\n_cell_angle_gamma 80.77144000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C22\n_cell_volume 151.14372860\n_cell_formula_units_Z 22\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.02678848 0.76547169 0.65951842 1\n C C1 1 0.13614955 0.55323739 0.73394983 1\n C C2 1 0.67826775 0.47838999 0.24691188 1\n C C3 1 0.43844246 -0.03920811 0.89784880 1\n C C4 1 0.98679923 0.86117349 0.91337217 1\n C C5 1 0.47682616 0.86133438 0.61351942 1\n C C6 1 0.37357723 0.06229507 0.53386223 1\n C C7 1 0.48148040 0.86734150 0.23467894 1\n C C8 1 0.38124700 0.06442974 0.21168511 1\n C C9 1 0.67941721 0.46171805 0.53275662 1\n C C10 1 0.33871507 0.16100224 0.87482385 1\n C C11 1 0.72356899 0.36808468 0.41748336 1\n C C12 1 0.83072864 0.16412956 0.18713096 1\n C C13 1 0.79111612 0.25627873 0.87193978 1\n C C14 1 0.68011326 0.47113248 0.83542009 1\n C C15 1 0.72856706 0.36979976 0.13961949 1\n C C16 1 0.16477257 0.49218803 0.59428122 1\n C C17 1 0.02775972 0.77756548 0.23105274 1\n C C18 1 0.82348766 0.16015479 0.49140808 1\n C C19 1 1.09165057 0.64896492 0.99753487 1\n C C20 1 0.64766582 0.53342968 0.98083727 1\n C C21 1 0.11365405 0.60739705 0.18868248 1", + "input": "C22", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.42289000\n_cell_length_b 5.59364000\n_cell_length_c 5.34795000\n_cell_angle_alpha 88.30498000\n_cell_angle_beta 90.00282000\n_cell_angle_gamma 76.85569000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 70.54803112\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 -0.04392390 0.70301576 0.76329757 1\n C C1 1 0.47301550 0.67211815 0.88930635 1\n C C2 1 0.54536514 0.53523953 0.13519238 1\n C C3 1 0.13516878 0.36357756 0.14295105 1\n C C4 1 0.20945116 0.22303676 0.90789131 1\n C C5 1 0.47099008 0.67602404 0.37123676 1\n C C6 1 0.95471748 0.70563132 0.49589537 1\n C C7 1 0.72412922 1.19699887 0.51550697 1\n C C8 1 0.72554616 0.19406307 0.78355068 1\n C C9 1 0.20688799 0.22829763 0.38972607 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.45639000\n_cell_length_b 2.53436000\n_cell_length_c 6.91819000\n_cell_angle_alpha 80.49202000\n_cell_angle_beta 69.22254000\n_cell_angle_gamma 90.72006000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 39.59578723\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.78312216 0.83939185 0.66512044 1\n C C1 1 1.01385349 0.95353945 0.43448925 1\n C C2 1 0.17590284 0.78280216 0.77171485 1\n C C3 1 0.11672207 0.50123789 0.33084478 1\n C C4 1 0.95340711 0.66794177 0.99354287 1\n C C5 1 0.34639333 0.61317077 0.10025560 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.82078000\n_cell_length_b 4.18732000\n_cell_length_c 4.81947000\n_cell_angle_alpha 74.85909000\n_cell_angle_beta 116.97274000\n_cell_angle_gamma 125.17141000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C12\n_cell_volume 70.87461468\n_cell_formula_units_Z 12\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.20624056 0.43051801 0.82085377 1\n C C1 1 -0.08987803 0.20753575 0.50522343 1\n C C2 1 -0.02439260 0.81903009 0.24492403 1\n C C3 1 0.52174903 0.43059438 0.50537635 1\n C C4 1 0.09461024 0.20731523 0.32082748 1\n C C5 1 0.70618766 0.43062451 0.32077367 1\n C C6 1 0.47620393 0.81903103 0.74549125 1\n C C7 1 0.63994857 0.81908921 0.57999341 1\n C C8 1 0.41017052 1.20741618 1.00531141 1\n C C9 1 0.14058899 0.81908008 0.08063591 1\n C C10 1 0.59476385 0.20741731 0.82090379 1\n C C11 1 1.02190636 0.43070884 1.00545730 1", + "input": "C12", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.49166000\n_cell_length_b 4.35122000\n_cell_length_c 3.59539000\n_cell_angle_alpha 84.28779000\n_cell_angle_beta 69.65748000\n_cell_angle_gamma 73.36434000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C6\n_cell_volume 35.01941857\n_cell_formula_units_Z 6\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.10383866 0.12469869 0.56030435 1\n C C1 1 0.47318549 0.12483157 0.81928399 1\n C C2 1 0.18588387 0.33032103 0.18990641 1\n C C3 1 0.57892372 0.54292472 0.18999265 1\n C C4 1 0.66107097 0.74852553 0.81909658 1\n C C5 1 0.29099819 0.74856396 0.56024272 1", + "input": "C6", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.66932000\n_cell_length_b 4.23018000\n_cell_length_c 4.86252000\n_cell_angle_alpha 89.87719000\n_cell_angle_beta 67.22295000\n_cell_angle_gamma 92.66224000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 69.49805993\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 0.15794680 0.34204145 0.55912397 1\n C C1 1 1.09428896 0.83822057 0.83306134 1\n C C2 1 0.61756364 0.41681393 0.06467540 1\n C C3 1 1.06681145 0.83393641 0.33853876 1\n C C4 1 0.09861910 0.99153375 0.58206330 1\n C C5 1 -0.02800799 0.48351057 0.36022463 1\n C C6 1 0.22528703 0.34630063 0.05457969 1\n C C7 1 0.57888922 0.41292628 0.35082104 1\n C C8 1 0.03698293 0.48760742 0.85662377 1\n C C9 1 0.13421175 -0.00464551 1.07432099 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.95858000\n_cell_length_b 4.57232000\n_cell_length_c 5.94643000\n_cell_angle_alpha 69.72855000\n_cell_angle_beta 74.52121000\n_cell_angle_gamma 74.11090000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C10\n_cell_volume 71.24394235\n_cell_formula_units_Z 10\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.03312878 0.70238656 0.81160377 1\n C C1 1 0.78500668 0.56611538 0.05356273 1\n C C2 1 0.68843355 0.27201352 0.15762304 1\n C C3 1 0.23014911 0.57978276 0.61300200 1\n C C4 1 0.24312192 0.25856390 0.59909031 1\n C C5 1 0.03812475 1.02699582 0.79870282 1\n C C6 1 0.44011982 0.13594056 0.40033931 1\n C C7 1 0.43523364 0.81097064 0.41320076 1\n C C8 1 0.65895345 0.78141565 0.18299676 1\n C C9 1 0.81550910 1.05620421 0.02881191 1", + "input": "C10", + "instruction": "Generate a CIF file." + }, + { + "output": "# generated using pymatgen\ndata_C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.22816000\n_cell_length_b 3.48427000\n_cell_length_c 4.85888000\n_cell_angle_alpha 66.06654000\n_cell_angle_beta 89.97164000\n_cell_angle_gamma 52.54883000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural C\n_chemical_formula_sum C8\n_cell_volume 48.85933845\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n C C0 1 1.07152160 -0.06150734 0.69050030 1\n C C1 1 0.33268464 0.09782664 0.64174707 1\n C C2 1 0.65138191 0.78343605 -0.02372113 1\n C C3 1 0.56897975 -0.05639199 0.42720320 1\n C C4 1 0.98970079 0.78400413 0.47624445 1\n C C5 1 0.41506027 0.93798715 0.19072370 1\n C C6 1 0.91252104 0.94299764 -0.07265600 1\n C C7 1 -0.00554961 1.09726153 0.14179341 1", + "input": "C8", + "instruction": "Generate a CIF file." + }, + { + "output": "", + "input": "#N/A", + "instruction": "Generate a CIF file." + }, + { + "output": "", + "input": "#N/A", + "instruction": "Generate a CIF file." + } +] \ No newline at end of file