# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e3b0371a-5c27-46de-be41-c4d297fd2220/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 Na5NbO5 / C2/c (15) / materials id 5477](https://mdr.nims.go.jp/datasets/5e644735-b6f8-4d73-840e-9794e1bbaac2) ## Fulltext elements: [O, Na, Nb]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, 92.91]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: [1.020556171752558e+00, 4.166703200125111e-02, 3.761073440356844e-01, 6.531479404055194e+00, 7.105466086352536e+01, 0.000000000000000e+00, -3.281638305710348e+04, 5.362415239313913e+02, 3.740076557351967e+02, 1.293106099967055e+02, -4.968851962604151e+02, -9.813035925161415e+03, -9.044996475254059e+04, 2.380688478509572e+01, 2.442167791804758e+04, 0.000000000000000e+00, 5.985057084279037e+04, 1.869251693598638e+06, 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