# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/753e08c3-7fd5-45ee-8a51-b430e40d55c5/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 K2BeF4 / Pnma (62) / materials id 5185](https://mdr.nims.go.jp/datasets/fb89d8b8-3232-4a4f-afbe-e68ddf1c99f2) ## Fulltext elements: [Be, F, K]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: [9.012, 19.0, 39.1]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: [0.000000000000000e+00, -7.286520887977391e-02, 2.424053113060485e+01, 1.290954594889501e+00, 8.813606123842367e-02, 6.645990068492368e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.286627673484121e-01, 1.151762656567637e+02, 2.289053374725262e+01, -7.235376689557457e+02, -7.097278723058947e+05, -5.323192072782286e+04, 0.000000000000000e+00, 3.437565847644461e+02, 5.289223815539227e+03, 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