# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ea7fb6a9-f1f3-43fb-bfd3-0f57f7e2f47f/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 BiF3 / Pnma (62) / materials id 23237](https://mdr.nims.go.jp/datasets/cc5956c2-b5af-4831-a621-ab763d265697) ## Fulltext elements: [F, Bi]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: [19.0, 209.0]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [7.846729145431500e+00, 1.859882452109052e+00, 1.270779712383464e+03, 3.371688727652308e+03, 4.521812508793651e+03, -1.228274211617655e+03, 8.169398550999204e+05, 0.000000000000000e+00, 6.362809723478921e+02, -1.150054811856640e+04, 5.595793762444868e+03, -1.641644612878760e+07, 0.000000000000000e+00, 4.421777884622255e+03, -6.204330026853189e+03, 9.858692219975079e+02, 2.016225368748343e+06, 0.000000000000000e+00, -5.974977704946805e+03, 1.254293887233544e+03, -2.291239700451753e+03, -1.690972722107146e+07, 0.000000000000000e+00, 4.303480926123453e+03, 9.607097185839158e+02, -1.370860874925860e+03, 1.024332306080233e+07, 0.000000000000000e+00, 4.051864863487369e+03, 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