# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e5219330-aad1-4e40-a362-44be319424b1/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 K2PtF6 / P-3m1 (164) / materials id 3821](https://mdr.nims.go.jp/datasets/60464942-d9d8-41d6-868f-96bec14ccbb6) ## Fulltext elements: [F, K, 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, 39.1, 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: [1.667863501226982e+00, 1.860183080763556e+00, 1.592855989463735e-01, 7.381518399369872e+02, 1.133747544263236e+02, 0.000000000000000e+00, 8.422885936655126e+02, -1.285585412045992e+03, 1.300701868664160e+02, -1.927979767094340e+03, -7.090058035435788e+02, 0.000000000000000e+00, 4.709179997394138e+05, 6.358745995513874e+00, -1.435550090658828e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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