# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ea496631-cadb-4415-87c6-c92e98e454a0/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 KPrF4 / Pnma (62) / materials id 18040](https://mdr.nims.go.jp/datasets/f1331e3a-ba16-4ed3-ae58-65a6fba66e71) ## Fulltext elements: [F, K, Pr]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, 140.9]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: [6.425736610724655e+00, 3.051418786519861e-01, 4.323754249511644e-01, 1.391902849019251e+02, 1.729175176475603e+04, 4.814265145973395e+04, -2.344634523275187e+03, 1.023695569194094e+04, 6.782128048262785e+03, 1.504316386922297e+03, 4.118098291621872e+02, -1.743995107726567e+05, 0.000000000000000e+00, -1.119930916979033e+02, 0.000000000000000e+00, 1.586507660470027e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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