# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/da5273f8-7931-40a0-a3da-e0b418c69765/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 BiF5 / I4/m (87) / materials id 27743](https://mdr.nims.go.jp/datasets/279a010e-49e2-480b-a4b0-199bd322f22b) ## Fulltext elements: [F, 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: [19.0, 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: 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: [1.837195220953216e+00, 2.524521679472413e-01, -1.431995690079545e+05, 1.191393120873086e+04, 7.999383102342711e+02, 1.609624853668694e+01, 0.000000000000000e+00, 0.000000000000000e+00, -6.513122724310317e+03, 5.566144503706139e+02, 4.648358488486313e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.410031271941626e+04, -1.620975043819317e+02, 5.227855535344784e+01, 0.000000000000000e+00, 0.000000000000000e+00, -3.846185252224591e+04, 5.549091222329752e+02, 5.588923943875275e+01, 0.000000000000000e+00, 0.000000000000000e+00, 6.704812539241312e+03, 9.073388627925156e+01, -8.575673109615584e+00, 0.000000000000000e+00, 0.000000000000000e+00, -7.977362664952635e+03, 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