# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ef6e3627-6888-4c99-89e2-22da8498a2ce/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 Rb2PtF6 / P-3m1 (164) / materials id 8192](https://mdr.nims.go.jp/datasets/cd8ce370-6969-4e26-b3db-390577893846) ## Fulltext elements: [F, Rb, 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, 85.47, 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: [1.342123649826952e+00, 2.653747334502243e+00, 1.305498499693135e-01, 1.623707072758234e+03, 1.867617301260574e+02, 0.000000000000000e+00, 8.161520398929669e+02, 1.756908990841031e+03, 1.123146460246345e+02, -4.045009590958572e+03, -4.323721585426076e+02, 0.000000000000000e+00, 0.000000000000000e+00, 5.525461016050725e+00, 1.353001789422959e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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