# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/81c304d9-22b9-45aa-9a92-2960da684b2c/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 TbNbO4 / C2/c (15) / materials id 12647](https://mdr.nims.go.jp/datasets/724afd68-b663-44f1-a216-264ba58d9df2) ## Fulltext elements: [O, Nb, Tb]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, 92.91, 158.9]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: [1.364271973977584e+01, 3.918974424994810e-01, 6.262470164143863e-01, 3.929901969790470e+02, 2.514200703692970e+03, 3.791529238467414e+03, 5.620987321147073e+02, 2.884561036533872e+03, 4.859126285125035e+03, 3.226465259078178e+01, 4.166823070403061e+02, 3.112912773175502e+04, 5.013856325799802e+05, 3.396436382878025e+02, 2.606845915315468e+06, 1.184156457956655e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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