# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/168fe55d-0161-45fd-a78c-fae34dca70d2/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 RbHF2 / I4/mcm (140) / materials id 29764](https://mdr.nims.go.jp/datasets/73d5f8b5-b7c6-436a-bbf8-8564a85eb2e2) ## Fulltext elements: [H, F, Rb]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: [1.008, 19.0, 85.47]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: [7.590265277467425e+01, -2.178245879441167e-02, 2.108389097002996e+01, 2.045125731258700e-01, 3.685670285142818e+00, 8.694368239372349e+01, 0.000000000000000e+00, -5.965180743422423e+03, 0.000000000000000e+00, -5.708795949240421e-02, 7.810133599156511e+02, 9.381831854636207e-01, -7.974012030931597e+01, 0.000000000000000e+00, 4.617219525590906e+05, 0.000000000000000e+00, 9.706864614899092e+01, -1.558987102689304e+02, 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