# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/10349b65-0d45-4e67-8746-845a0713ef3d/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 BaF2 / Fm-3m (225) / materials id 1029](https://mdr.nims.go.jp/datasets/0d86c1c3-d4a3-41ef-9047-4ee885cfb550) ## Fulltext elements: [F, 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, 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: 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: [7.625753312127028e+00, 1.285990093268596e+00, 5.114771518585592e+04, -2.542848099600121e+04, -5.877302374397004e+02, 3.071493559980000e+02, 0.000000000000000e+00, 0.000000000000000e+00, -4.875364004350509e+04, -6.682063732410826e+03, 1.903101895679768e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.342408304226849e+05, 6.847313962624376e+04, 1.320541808436014e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.277031912744200e+04, 4.323098208717548e+03, 5.155869846532433e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.354847713133877e+04, 3.740917257005474e+03, -1.066123795241141e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.883772200973867e+04, 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