# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6222f873-1dbb-4125-8163-ea3c44a3b5e4/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 TiSnPt / F-43m (216) / materials id 30847](https://mdr.nims.go.jp/datasets/0327bb7f-ceb9-471d-9003-127a418f749f) ## Fulltext elements: [Ti, Sn, Pt]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: [47.88, 118.7, 195.1]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: [-5.820437224418281e+03, 1.231803961625865e+00, 7.023450164861954e-01, -8.898614939095223e+03, 1.725524352228001e+00, -1.893561169548146e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 9.789514623112688e+02, -4.833760672321670e+03, 0.000000000000000e+00, 1.377081998414297e+04, 1.319854221233386e+03, 1.393795890392291e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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