# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c3ff36fa-7d4a-47f5-ae2b-3e5013819a86/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 ZnPbF6 / R-3 (148) / materials id 13610](https://mdr.nims.go.jp/datasets/026cba3c-bf91-4418-9088-c7d9ee22fb8f) ## Fulltext elements: [F, Zn, 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: [19.0, 65.39, 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: [2.980898804334456e+00, 3.441807280810247e-03, 2.693651962557593e-01, 0.000000000000000e+00, -3.819827632802642e+03, 0.000000000000000e+00, -1.159011456771053e+04, -1.187565278604224e+03, 2.870776966931608e+03, 9.087826170068450e+00, 2.122308536973032e+01, 0.000000000000000e+00, -3.566337164317257e+05, 1.721926187157944e+01, -3.208090639722879e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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