# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a1c4d037-5bad-47e1-8e46-94fd9e7cc495/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 K2MgF4 / I4/mmm (139) / materials id 31212](https://mdr.nims.go.jp/datasets/7be75a71-077d-48ec-be71-02394bb25119) ## Fulltext elements: [F, Mg, K]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, 24.31, 39.1]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: [1.332214712384181e+00, -1.730912109080709e-04, 1.290662124455180e+00, -1.994188310653906e+03, 6.235382011587608e+00, 6.023008996610114e+02, 2.524574410295402e+02, 5.749199105110823e+00, 3.232711442412439e+03, 2.138776980283609e+00, 1.507638317638206e+02, -3.687161794638768e+04, 6.744986521271719e+02, 2.967900669362016e+02, 6.068717347488947e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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