# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/26ab2a6e-6243-4fed-9ef3-e317a2ad7aa1/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 / Cmc2_1 (36) / materials id 22756](https://mdr.nims.go.jp/datasets/e80c146a-6e18-4d6e-a300-eeef08ebd7c1) ## 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: [1.578692353396506e+00, 1.263183149022170e+00, 5.157427674998927e-01, -1.187347059884475e+02, -2.567822706020483e+02, 1.377751131072886e+01, -1.972348738849913e+05, -1.387701178631230e+05, 3.594593948021784e+03, -3.453306026479358e+03, -4.446111312545109e+02, -6.034856773035733e+05, -3.624980276026087e+06, 3.229132782248725e+01, 4.543173439184463e+05, 5.664531627203694e+04, 0.000000000000000e+00, 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