# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/23c2babe-e51c-497a-9c86-4886f4fc489b/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 BaSiF6 / R-3m (166) / materials id 5588](https://mdr.nims.go.jp/datasets/8f614acb-d241-4c72-b3e7-394e5f83fbc1) ## Fulltext elements: [F, Si, Ba]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, 28.09, 137.3]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: [2.647296673373072e-01, 1.932743025885514e-02, 1.028497717717118e+00, 0.000000000000000e+00, -9.368187358425597e+01, 0.000000000000000e+00, 5.678935958045730e+01, 8.226611822160674e+00, 1.510403282243697e+03, 5.638119757964477e-01, 6.727492000882099e+02, 0.000000000000000e+00, -3.119902160126510e+01, 1.587498515526727e+03, -6.145084261926594e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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