# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3aba0319-5bd4-4348-b897-069696af0299/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 BaHfN2 / P4/nmm (129) / materials id 10322](https://mdr.nims.go.jp/datasets/b698d8a6-0e00-4f86-ae89-cbfba59da84f) ## Fulltext elements: [N, Ba, Hf]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, 137.3, 178.5]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: [1.828859396730433e+02, -4.653800075887853e+00, -7.964562351809468e-02, -1.678450800074737e+03, 2.006892452586890e+02, 6.937690405087599e+01, -5.790306465824945e+05, -2.963926501144270e+06, -3.395975004665346e+03, -2.164920328252292e+03, -3.293762152016823e+03, 0.000000000000000e+00, 3.765892662872697e+06, 3.295578864638634e+01, 4.464142064203764e+04, 4.338592953813193e+03, 0.000000000000000e+00, 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