# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2f4350c1-be97-41d9-af09-5a75dd343847/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 Cs2PtF6 / Fm-3m (225) / materials id 9262](https://mdr.nims.go.jp/datasets/93251f80-3f9b-4ec5-ac35-1e3d56200600) ## Fulltext elements: [F, Cs, Pt]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: [19.0, 132.9, 195.1]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: [4.404954084476180e-02, -1.849368841862705e+00, 1.158810519188378e-02, 0.000000000000000e+00, 4.107779021425381e+02, 0.000000000000000e+00, 1.344289928783406e+02, 4.120865956170098e+02, 1.438103260222440e+01, 5.426988718402689e+04, -2.277603172528891e+02, 0.000000000000000e+00, 0.000000000000000e+00, 5.429851293839795e-01, 9.868153787242305e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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