{ "denominator_note": "stats.json + figures are SAMPLED from the ordered_only=True default view (358646 entries); every figure below is computed from the collated tensors over ALL 530868 stored entries, ordered or not.", "elements_symbols": [ "H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "Rn", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Cn" ], "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 ], "fraction_without_hydrogen": 0.13850147305921623, "n_atom_rows_occupancy_outside_0_1": 87640, "n_disordered": 172222, "n_elements": 97, "n_entries_ordered_default_view": 358646, "n_entries_stored_all": 530868, "n_entries_without_hydrogen": 73526, "n_ordered": 358646, "natoms_counts_species_rows_note": "natoms counts SPECIES-ROWS: a disordered mixed site contributes one row per species, so several rows can share one frac_pos and max_atoms filters on this count.", "natoms_species_rows_max": 35904, "natoms_species_rows_mean": 303.4490909227906, "natoms_species_rows_median": 200, "natoms_species_rows_min": 1, "occupancy_max": 130.0, "occupancy_min": 9.99999993922529e-09, "sum_species_rows": 161091412 }