# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f6b92cd6-dbf6-4f3d-a9ac-fbefc0f611f8/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 CsBeF3 / Pnma (62) / materials id 12262](https://mdr.nims.go.jp/datasets/b104f2b1-b47e-4231-8cab-175030138e15) ## Fulltext elements: [Be, F, Cs]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, 132.9]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: [1.121744334622025e+00, -3.085942283693585e-02, 3.050823181922368e+01, 9.858909620091191e-01, -1.870337985562225e+00, -7.039562644602712e+04, -1.725138472943622e+04, -2.127048515442442e+01, 0.000000000000000e+00, 4.448071265035788e-01, -3.809895160336374e+02, 2.149302717971680e+00, -7.179540407307113e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.676579547706141e+02, 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