# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a2763263-ec38-47fb-a6f9-265d75c8e35d/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 LaSb5O12 / R-3m (166) / materials id 31419](https://mdr.nims.go.jp/datasets/74b85479-34bc-4ed7-ab66-c57249311073) ## Fulltext elements: [O, Sb, La]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, 121.8, 138.9]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: [1.776945679327639e+00, 1.670884868352300e-01, -4.185278676077150e-02, 8.051099822116321e+01, 6.434398682645073e+02, 0.000000000000000e+00, 1.387765144454491e+03, 1.565777296934215e+02, -8.848926367844574e+02, 1.056698643212795e+01, 1.107066817221047e+02, 2.858754129794346e+03, 1.132141378278874e+05, 5.297285352680652e+02, 9.390263431903756e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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