# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/059921a3-95c2-4312-b752-9d7b62cd9206/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 CuI / P-3m1 (164) / materials id 570081](https://mdr.nims.go.jp/datasets/b9d4bf6f-7322-4f3e-83db-aab4d9803367) ## Fulltext elements: [Cu, I]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: [63.55, 126.9]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-8.352744977855249e-02, 4.475225342512009e-01, 2.400561244433728e+02, -4.395218632465690e+03, 7.031970617925379e+03, 2.972459386137105e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.517430931525994e+04, -2.342212085202132e+04, -2.035063200522806e+03, 0.000000000000000e+00, 0.000000000000000e+00, -2.600874786487356e+04, -2.372572605448059e+04, 4.401678968221782e+03, 0.000000000000000e+00, 0.000000000000000e+00, -2.863540110752630e+03, -2.036958277865590e+03, 1.261178334023857e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.763928463909511e+03, 1.046353701959710e+03, 9.278526328348064e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.277473061547102e+04, 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