# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/15ae5c2b-7a24-4e15-b51d-816edc6f1bb5/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 NbFeSb / F-43m (216) / materials id 9437](https://mdr.nims.go.jp/datasets/df2910b6-50b7-4d6c-a881-7b9c7b8e16e2) ## Fulltext elements: [Fe, Nb, Sb]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: [55.85, 92.91, 121.8]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: [7.083425509119963e+02, 2.853400606776667e-01, 8.574193242700859e-01, -1.133523981829850e+03, 3.249200603216107e+00, 3.684421073392151e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.269527547548361e+02, 3.777604660431168e+02, 0.000000000000000e+00, -4.173811225889980e+02, 2.060759857803113e+02, 4.853908901563489e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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