{ "C6_duplicate_of_join_coverage": { "n_non_null": 5389, "n_target_present_in_file": 5388, "rate": 0.9998144368157358 }, "cod_id_max": 9017926, "cod_id_min": 1000000, "elements_z": [ 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 86, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 112 ], "formula_matches_counts": { "match": 479927, "mismatch": 50359, "not_checkable_255": 582 }, "n_atom_rows_frac_outside_unit_cell": 69, "n_atom_rows_occupancy_outside_0_1": 87640, "n_deuterium_atom_rows": 102550, "n_elements": 97, "n_entries_with_deuterium": 1480, "n_ordered": 358646, "n_with_duplicate_of": 5389, "nan_rates": { "density": 0.0813705101833224, "r_factor": 0.1429244181227725, "temperature_K": 0.1293183993007678 }, "natoms_max": 35904, "natoms_mean": 303.4490909227906, "natoms_min": 1, "num_structures": 530868, "occupancy_gt1_rows": 87640, "occupancy_gt2_rows": 23687, "occupancy_le0_rows": 0, "occupancy_max": 130.0, "occupancy_min": 9.99999993922529e-09, "out": "/home/gridsan/tperez/workspace/StructureCloud/tmp/cod/hubroot/StructureCloud__COD/preprocessed/all.pt", "size_bytes": 3145707470, "size_gib": 2.929668379947543, "spacegroup_number_absent": 2110, "string_nonempty": { "doi": 483600, "formula_sum": 530387, "mineral_name": 16030, "spacegroup_hm": 530735 }, "sum_atoms_species_rows": 161091412, "z_max": 112, "z_min": 1 }