# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/31b81cf4-70c0-4a3e-9b12-1d09785a046f/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 Rb2SnCl6 / Fm-3m (225) / materials id 23059](https://mdr.nims.go.jp/datasets/30ebe9c1-9488-4b2d-b817-8845a85b33b5) ## Fulltext elements: [Cl, Rb, Sn]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: [35.45, 85.47, 118.7]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: [1.337349726768158e+01, 2.192190137030686e+00, 9.945962811874752e-02, 0.000000000000000e+00, -4.739291562303967e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.334710249700474e+03, 0.000000000000000e+00, -3.181518323342253e+04, 0.000000000000000e+00, 0.000000000000000e+00, 4.002140479083352e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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