# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f537b298-1f98-40b2-bdd2-837a6906a531/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 ThBrN / P4/nmm (129) / materials id 28066](https://mdr.nims.go.jp/datasets/f25e8d34-ee54-48a3-88f2-3d21c9ab540d) ## Fulltext elements: [N, Br, Th]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, 79.9, 232.0]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: [-3.249273589014651e+01, 2.223358409965184e+01, -5.006406672682846e-02, 4.782702998161504e+01, 2.887380346788436e+01, 2.623045226905389e+02, 9.164079464431078e+04, 3.408818233078188e+05, 7.298042764383719e+02, 0.000000000000000e+00, 2.246471554690001e+04, 0.000000000000000e+00, 0.000000000000000e+00, 2.436821517442869e+01, -2.523186386890914e+03, -2.272841299215478e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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