# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d24611be-a7bb-450a-893a-01bdfadeac71/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 CuSe2Br / P2_1/c (14) / materials id 29567](https://mdr.nims.go.jp/datasets/e39e83d4-d44f-42d0-8934-4bb7b2154cd7) ## Fulltext elements: [Cu, Se, Br]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, 78.96, 79.9]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: 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: [1.152379580851553e+03, 3.731556165364660e-01, -9.679641806984083e-01, 2.964033606282757e-01, 9.196696393087475e+01, -1.680485168544984e+02, 0.000000000000000e+00, 3.029562129232001e+06, 8.590799696853188e+05, 2.722282726086060e+03, -4.813953709375706e+02, -1.412956805891833e+03, 1.757983002567234e+05, -1.867519407150182e+02, 6.918660180703932e+05, 1.698491812213778e+06, 4.869882881375878e+02, -8.024297263526042e+05, 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