# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9a8d235e-393b-4ab9-9a6c-4fce51d83655/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 Ca7GeN6 / Pbcn (60) / materials id 570555](https://mdr.nims.go.jp/datasets/355dbefc-c36d-4954-87f9-77383d104204) ## Fulltext elements: [Ca, Ge, N]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: [40.08, 72.61, 14.01]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: [5.050284994754705e+01, 1.437397628402346e+01, 1.195677574418784e+00, 0.000000000000000e+00, -1.106519951824280e-02, -1.654321999402150e+01, -8.545985828022698e+04, -2.887191803957489e+06, 1.136184229202365e+04, -6.328979069237052e+04, 1.216144777644856e+04, 0.000000000000000e+00, 5.006738586345048e+02, -5.401775492195712e+02, -1.182662831052442e+03, -2.902514704731510e+04, 0.000000000000000e+00, 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