# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7a92c779-64f9-4b63-bf59-d88a0de2a555/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for TlPd3O4 / Fm-3m (225) / materials id 5478](https://mdr.nims.go.jp/datasets/a75c43b3-15ee-4705-b674-8061b57792b4) ## Fulltext elements: [O, Pd, Tl]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [16.0, 106.4, 204.4]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [7.801105744893350e-01, 1.175972096308879e-01, 2.941112016193253e-02, -3.109838565496912e+01, 3.978513997357399e-01, 0.000000000000000e+00, 1.217163460496326e+03, 3.866573909315110e+01, 1.700541540782827e+02, 6.600256519707960e+00, 3.895448295795550e+00, -2.037236699699886e+03, -6.477226555654440e+03, -9.862178443703721e-01, 7.682608365772930e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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