# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/61c39649-8f8b-4d1c-8dd4-1a34d1d40763/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 K2SiF6 / P6_3mc (186) / materials id 13002](https://mdr.nims.go.jp/datasets/200c8bc9-1ef6-4ec6-89a7-9abd507fe782) ## Fulltext elements: [F, Si, 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, 28.09, 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: [4.069112772805961e-01, -2.749964877506424e-02, -3.980171665459529e-01, 0.000000000000000e+00, 1.263718075615843e+02, 2.163997441712331e+02, 6.045938249407966e+01, 1.010820653071966e+01, 1.924097229556398e+03, 6.715791493090348e-01, -6.378023987245818e+02, 0.000000000000000e+00, 6.717115894768712e+02, -1.946121531363423e+03, 4.267657945662514e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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