# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/81a0e6da-61b6-486c-8934-ab161114529d/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 TbOF / R-3m (166) / materials id 14093](https://mdr.nims.go.jp/datasets/5717aea2-1ebf-4939-80bd-e9a82fedfbd8) ## Fulltext elements: [O, F, Tb]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: [16.0, 19.0, 158.9]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: [1.176891688555755e+00, 1.683008383657347e+00, -4.937214516543422e-02, 9.313048871571689e-01, -1.533039617293958e-01, 3.514193506511309e+02, -1.007434248199895e+03, -4.563754093900116e+03, 7.902009867560467e+02, 3.755909606469656e+02, -2.454766009814205e+01, -1.953237098486941e+03, 8.296618461116004e+02, 7.147299241893288e+01, 8.320098612379262e+02, -1.670028992905186e+03, 4.132073772912655e+02, -8.625969555472790e+01, 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