# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4ddc655e-be04-4ac4-83e8-39bb9ffd0156/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 Li3SbS3 / P2_1/c (14) / materials id 775806](https://mdr.nims.go.jp/datasets/71e95af6-cd5b-42f3-a104-c9532f88b32a) ## Fulltext elements: [Li, Sb, 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: [6.941, 121.8, 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: [8.725275606449317e+00, 6.500293203449090e+01, -5.329383333149373e-01, 5.576425266906682e+03, -1.756448017736358e+00, -1.637442778695896e+03, 5.971062420183329e+03, 1.602797200513236e+05, 1.656801632193441e+03, 1.051692430008680e+06, -4.660513987231968e+04, 0.000000000000000e+00, -2.885972327218999e+05, -1.476005298787174e+02, -2.943099367310168e+03, 6.819121685752176e+05, 0.000000000000000e+00, 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