# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e1ef8048-1e3b-48cb-b08f-46aa2999a09c/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 Li3BS3 / Pnma (62) / materials id 5614](https://mdr.nims.go.jp/datasets/ed433527-acdb-4e4b-9b84-f7cd4fcdb69c) ## Fulltext elements: [Li, B, 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, 10.81, 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: [1.554315804804991e+01, 3.177857696107974e+00, -2.420588996587273e-01, -2.892123248738148e+05, -6.760872603062759e-02, 3.281492889565765e-01, 2.019087536814996e+05, 1.644493454891630e+05, -1.334148968079384e+04, -1.749964975243057e+04, 4.111709842820074e+02, 0.000000000000000e+00, -3.458861445938806e+01, -3.185477843941017e+01, -2.903201007886341e+02, 3.405623374182917e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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