# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/de4ed9ee-4574-49da-9242-15ba4d705495/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 Ge3Bi2O9 / P6_3/m (176) / materials id 29218](https://mdr.nims.go.jp/datasets/87f53c1c-792f-4912-b612-40a92d7e9d0c) ## Fulltext elements: [O, Ge, Bi]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, 72.61, 209.0]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: [7.718954770052731e+00, -7.414237282142985e-02, -6.016178931779944e-01, -6.468430749583315e+01, 1.396725223597660e+03, -1.196543385498747e+04, -9.519380970183962e+03, 1.485436444980752e+03, 2.149137024712117e+04, 4.617804892195452e+00, 1.283908855860527e+02, 3.355514116378045e+03, 4.933090035889280e+05, -2.933173790745655e+02, 8.516594284459350e+05, 0.000000000000000e+00, 1.086501574162288e+07, 0.000000000000000e+00, 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