# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2b67ed48-df81-4752-ae9b-e20ce0e2a24d/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 SrBeF4 / P2_1/c (14) / materials id 9726](https://mdr.nims.go.jp/datasets/4e912f92-2592-4494-9a0a-b17fb159d706) ## Fulltext elements: [Be, F, Sr]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, 87.62]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: [2.560894686250356e+02, -1.975557351380017e-01, 3.402068521859992e+01, 3.203673492049686e+00, 2.497902819618205e-01, 3.588203881107639e+04, 0.000000000000000e+00, -1.341414666961975e+04, 0.000000000000000e+00, 1.177520969286643e+00, 1.224542855300698e+03, 1.038128464441685e+02, -8.022538435821540e+02, 4.856101705612568e+06, 3.695623795686872e+04, 0.000000000000000e+00, 1.846543729308509e+02, -5.692206694104858e+01, 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