# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e29a7dba-745a-4117-99fd-10bd0f4e6751/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 Cd2P3Br / C2/c (15) / materials id 29245](https://mdr.nims.go.jp/datasets/3b6c86c3-649f-4541-8f2b-3c772d746f28) ## Fulltext elements: [P, Br, 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, 79.9, 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: [2.836152738855445e-01, 1.444681865719840e+02, 2.347453467405725e+00, 5.659526301399638e+04, 6.878474141386529e-01, 1.348706737760856e+02, -2.319951904057371e+01, -1.404818811789735e+06, -6.397243748730135e+02, 0.000000000000000e+00, -4.769909412115880e+05, 0.000000000000000e+00, 0.000000000000000e+00, 6.344240558981245e+02, 4.851165265742820e+03, -1.754264396677854e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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