# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a47be82e-fabf-4233-b66e-a10f9bc43ea0/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 FeBr2 / P-3m1 (164) / materials id 22880](https://mdr.nims.go.jp/datasets/718b9d1f-ada6-45ca-b73b-160ccb43d0dc) ## Fulltext elements: [Fe, 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: [55.85, 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: 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: [-1.172484305232850e+03, 2.856337985733007e-01, 1.860526529034284e+01, 0.000000000000000e+00, -5.579304851356436e+05, 7.242114096287307e+01, -2.027537500040400e+04, -3.579653800103674e+05, 0.000000000000000e+00, 1.374140996520871e+06, 1.553750690690333e+03, -1.159803474460429e+04, 2.265663375090866e+06, 0.000000000000000e+00, 4.091871315736871e+06, -7.628736746510143e+03, 5.774950251726839e+05, 8.416956103985144e+05, 0.000000000000000e+00, 1.770474201633297e+07, 4.623738633164863e+02, -1.018607701567907e+05, 0.000000000000000e+00, 0.000000000000000e+00, -1.934267549884160e+06, -6.011600387952384e+01, -8.891183093039741e+04, 9.146457399701402e+05, 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