# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1525f578-aa25-46aa-9eac-d9e6d014c097/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 Cd2P3Cl / C2/c (15) / materials id 29246](https://mdr.nims.go.jp/datasets/43b51c53-b5c0-4542-8832-ce996f3dccee) ## Fulltext elements: [P, Cl, Cd]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: [30.97, 35.45, 112.4]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: [4.784224172156828e-01, 3.480218603428685e+02, 2.312546125276056e+00, 1.536210498851559e+05, 4.073746986823402e-01, -1.381873849901738e+02, -5.695732895872401e+01, -3.500873057693234e+05, -8.654187519666859e+02, 0.000000000000000e+00, 1.071494496575861e+07, 0.000000000000000e+00, 3.814472406721860e+06, 5.388589858852838e+02, 2.642254511636695e+03, 1.127293351977726e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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