# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/91576112-3efd-46dd-a8ec-daefd45c84cd/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 Li3BiS3 / Pna2_1 (33) / materials id 753520](https://mdr.nims.go.jp/datasets/4dc2ad4c-af65-4878-824c-77aba2d62e0e) ## Fulltext elements: [Li, Bi, 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, 209.0, 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: [1.444196789429761e+01, 3.084228638000972e+02, 1.451704888275936e+00, 1.731502488252883e+04, -1.157710184042646e+00, 1.326376942265560e+02, 4.392400839369843e+04, -4.654489467169688e+06, -2.098565946560595e+03, 0.000000000000000e+00, -2.109845912833291e+05, 0.000000000000000e+00, -2.995073502165578e+05, 5.661080030314471e+01, -8.417699743453550e+02, 1.450814894896772e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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