# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5f53efcf-3793-44aa-871f-d76c2c8dbeb8/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 Re3Se4Br / P2_1/c (14) / materials id 624200](https://mdr.nims.go.jp/datasets/9d643aea-5a4e-4eba-8b16-dde7893d1d97) ## Fulltext elements: [Re, 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: [186.2, 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: [6.923687499129082e+00, 6.529918436642269e+00, 2.781879040748269e+00, -2.318985882931466e+02, -5.623353129258283e+01, 0.000000000000000e+00, 7.023263553343831e+03, -1.599163079361747e+02, -7.957420883980365e+03, -1.375179435987982e+03, -4.001331740198647e+03, 5.712720301003809e+05, -1.296218238002636e+06, -2.117392951978307e+04, 3.277749917445695e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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