# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c89249ed-4182-41bc-8c09-a98e7b09284f/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 GaF3 / R-3c (167) / materials id 588](https://mdr.nims.go.jp/datasets/a27d67c4-aef9-4eec-8ce2-3d760e2e386a) ## Fulltext elements: [F, Ga]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: [19.0, 69.72]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: [2.541620024523085e+00, -1.711115694017455e-01, -1.728034507976760e+03, 2.428591148156629e+02, 3.640907149187716e+01, 1.157104115981205e+00, 1.407223246672228e+05, 0.000000000000000e+00, -2.948453201516949e+03, -3.238305248542084e+03, 1.058246286868858e+02, 1.593074181294759e+06, 0.000000000000000e+00, 2.578943119132613e+03, 6.956086942287585e+02, 1.885116770145925e+00, 1.254585383855294e+05, 0.000000000000000e+00, -5.123736153479809e+03, 6.211220245830566e+02, 2.876482580108564e+01, -1.176053355205591e+06, 0.000000000000000e+00, 2.123775573743564e+03, 1.973169927099062e+02, -1.494237550495099e+00, -6.779465289053237e+03, 0.000000000000000e+00, 1.995490493421441e+03, 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