# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/07a0f60f-b9da-46f8-8351-a1ce4b2e19d7/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 NaTa3O8 / Ibam (72) / materials id 14532](https://mdr.nims.go.jp/datasets/3543f344-a56d-49b0-8cf6-e53379515db3) ## Fulltext elements: [O, Na, 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: [16.0, 22.99, 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: [-1.443761208466563e-01, 7.366569857329945e-01, 1.439012454490171e+00, 1.284561328169757e+03, -1.570665070110212e+03, 1.383921130088413e+02, -7.739633552653951e+02, 2.023008913553537e+04, 2.257871258561152e+03, 3.333005080242127e+02, 1.789084763193084e+03, 2.603311261778581e+06, -3.956811892657035e+06, 1.474258952685481e+02, 4.273638783336896e+04, -1.972109856810191e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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