# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8f3f45b2-5b33-499b-99fe-760edb99c053/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 Na2CuAs / Cmcm (63) / materials id 15685](https://mdr.nims.go.jp/datasets/167858cf-2989-4c50-af42-afe6bd3d33e2) ## Fulltext elements: [Na, Cu, As]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: [22.99, 63.55, 74.92]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: [3.728373026986177e+00, 1.402060434096605e+00, 4.725242407329559e+00, 7.578240934943360e-01, 5.974907593337234e-02, 7.213581906413555e+02, 8.371810281195039e+03, 5.562126716358602e+04, -3.340174796925718e+03, 2.233260281370514e+04, 9.205204845073487e+04, 7.671913594029855e+03, -5.811895453063734e+02, 1.328160967185193e+04, -2.521610556126272e+02, 0.000000000000000e+00, 1.752958387030242e+03, 2.274202530775218e+01, 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