# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7a91ae28-58ef-4fa6-afcb-f56aff832945/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 NaBH4 / F-43m (216) / materials id 976181](https://mdr.nims.go.jp/datasets/840aec6f-c253-4e77-abf8-e974e9010f85) ## Fulltext elements: [Na, B, H]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: [22.99, 10.81, 1.008]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: [-4.840646679255592e+02, -5.526100500422143e-01, 2.314042694951671e-02, 4.849145115141487e+03, 7.016904313178830e-04, 2.655338128076026e-03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.168842325604405e+03, 1.196580000265629e+02, 0.000000000000000e+00, -6.303997096613949e+00, -6.883847392925341e+00, -2.972676981106962e+00, 7.159667359492728e+00, 0.000000000000000e+00, 6.523044993577748e+04, 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