# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0bef1cde-59fe-4a8f-9df3-f2a9225083f7/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 K2ThF6 / P-62m (189) / materials id 14193](https://mdr.nims.go.jp/datasets/6541ba47-4fa4-4de2-a895-1a987c2029b5) ## Fulltext elements: [F, K, Th]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, 232.0]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: [1.145385327464076e+00, 3.533930690827176e-01, 2.131421600620882e-01, 6.235366382427873e+02, 4.330728439128556e+04, 1.542861620046898e+03, 2.423136631680176e+02, 1.565001837268590e+03, 1.034336426855946e+02, 3.560916844465876e+02, -7.861592084770472e+02, 0.000000000000000e+00, 0.000000000000000e+00, 9.360875255570180e+01, 0.000000000000000e+00, 1.483738117931182e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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