# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ff05cb52-a33b-40e8-83f0-ddc6c3ae2ea3/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 NbGaO4 / C2/m (12) / materials id 7601](https://mdr.nims.go.jp/datasets/f17750f9-c2c1-46ca-af93-639c84aa081b) ## Fulltext elements: [O, Ga, 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, 69.72, 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: [2.293542921403328e+00, -6.756488296783615e-01, 1.351137154104739e+00, -7.814772857372358e+00, 3.308466654989869e+02, -1.188572559660967e+02, 5.958472972195111e+02, 2.750544722101820e+03, 3.531614390838652e+03, 3.574298083613734e+01, 1.392012190276228e+02, 4.725021249052372e+03, -1.223653298423919e+04, 4.805938550765122e+01, -4.871127728709889e+04, 9.546462744343821e+04, -1.077989265048892e+06, -5.164107966539842e+05, 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