# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c5508bdf-78c4-457c-903a-d1654f37a5ea/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 Ta2Pt3S8 / Pbam (55) / materials id 560046](https://mdr.nims.go.jp/datasets/716c2925-55c6-4b8e-a349-690acefd6fdc) ## Fulltext elements: [Ta, Pt, S]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: [180.9, 195.1, 32.07]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: [1.446504563210990e+02, -1.150268593090954e+00, 5.806126958480655e-01, -2.536280273311811e+02, 2.273273977698741e-01, 9.923115991340966e-01, 0.000000000000000e+00, -5.857605194984666e+05, 1.090425403159202e+06, 3.290002261051695e+03, -4.583666167885753e+02, 5.357836715523727e+06, -2.019961478593908e+03, 1.162576318197892e+02, 1.111247804594709e+03, 8.774366883746905e+03, 0.000000000000000e+00, -3.348650265632173e+05, 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