# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6ba33ff9-70fc-4362-afec-ec0802e1c33c/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 TaSbRu / F-43m (216) / materials id 31454](https://mdr.nims.go.jp/datasets/ba81e27e-c781-4da0-88cf-2716f0299bfb) ## Fulltext elements: [Ru, Sb, Ta]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: [101.1, 121.8, 180.9]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: [-1.183844837090852e+04, 1.750064971569151e+00, 1.258772154229211e+00, 4.588116086926370e+03, 2.261131472337041e+00, -2.686498352617385e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.075129938871112e+03, 1.525901523374524e+03, 0.000000000000000e+00, 2.454278827743604e+04, 1.320543596928952e+03, -7.922134893930152e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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