# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5f824dfc-6984-4a19-bf0d-caa778b7b49f/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 K2PbO3 / Pnma (62) / materials id 504935](https://mdr.nims.go.jp/datasets/62f11a9e-8a0a-4b66-9dee-df3d78faa517) ## Fulltext elements: [Pb, K, O]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: [207.2, 39.1, 16.0]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: [-4.712757396123300e+01, -3.638394365100856e+02, 6.499373342503112e-01, 3.742989264106047e+02, 8.702085027023972e-01, -3.019133933869861e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.009313121017355e+04, 0.000000000000000e+00, 1.095606305195486e+05, 0.000000000000000e+00, -1.798783365418236e+06, 4.654072115263205e+01, -4.795117782938706e+02, 1.581096585350349e+03, 0.000000000000000e+00, 7.443406538182545e+05, 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