# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/75d94c41-05a1-4139-bf19-156b47026148/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 K4PbO3 / Pbca (61) / materials id 21949](https://mdr.nims.go.jp/datasets/3eaf503e-1c3e-4828-a44b-e30d04430e93) ## Fulltext elements: [O, K, Pb]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: [16.0, 39.1, 207.2]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: [-1.764608596852551e+01, -3.299136520596728e+00, -3.689600736371508e-01, 8.661270479255445e+01, 5.848147948272008e+02, 0.000000000000000e+00, 0.000000000000000e+00, 7.437244361052201e+05, 4.954725438324615e+04, -6.443552517003346e+03, -5.438073115554995e+03, -5.941564822238613e+05, -2.096906973406705e+06, 2.400380742840669e+01, -2.415695248522654e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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