# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/43320b95-283e-4f1d-a598-23db3eadcc07/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 Sr5NbN5 / Pbcm (57) / materials id 10577](https://mdr.nims.go.jp/datasets/b4ee1e6d-3690-4482-98b8-3dba394049a3) ## Fulltext elements: [N, Sr, Nb]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: [14.01, 87.62, 92.91]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: [2.479090621736391e+01, -2.198443323783405e+00, 1.067888987691139e-01, 4.763539506912261e+02, 7.018451757114175e+00, 0.000000000000000e+00, -3.591546628991101e+05, 2.632141193955290e+04, 4.252350757594346e+03, 2.149753886721751e+03, 2.741137803730745e+02, -7.450927697390257e+05, -8.627134755204208e+04, 1.600281132839082e+01, 1.193063202700053e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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