# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a78fd624-c4a7-4110-a93a-3b05693841b0/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 TbGaO3 / Pnma (62) / materials id 756290](https://mdr.nims.go.jp/datasets/8350e68f-0552-4cd0-af54-f707c6847dec) ## Fulltext elements: [Tb, Ga, O]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: [158.9, 69.72, 16.0]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: [6.349613060536611e+02, 1.111139985214497e+01, 3.302455315171454e-01, 1.612645405623319e+03, -2.398629229334934e-01, 7.644802778258172e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.409393307014961e+05, 9.151011225497440e+04, 9.389186687210617e+03, 0.000000000000000e+00, -9.675173807186284e+02, 6.022869011489978e+01, -4.225518423842894e+02, 1.982607420177141e+04, 0.000000000000000e+00, -8.973960636033146e+05, 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