# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6f8104be-ff3e-4fad-a3d6-058556819686/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 TaAgO3 / R-3c (167) / materials id 9890](https://mdr.nims.go.jp/datasets/0f272d35-15bf-4ec6-8e77-7178bef1d58e) ## Fulltext elements: [O, Ag, 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, 107.9, 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: [8.193863010921840e+00, 1.386436112578212e-01, 3.209178416312466e-01, 3.861404232987459e+03, 7.975044006793124e+01, 1.014137795064393e+02, 1.340220239641759e+04, -2.202481802320801e+03, -8.441030137693753e+01, 1.238061551547036e+02, -4.299445622399607e+01, -6.101950250099878e+06, -2.327886045905275e+04, 2.695347386309881e+01, 7.636708813307979e+03, 4.467922678116011e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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