# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3dbb759e-b54f-4eb1-a476-558e9a1cbbd0/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 ZnIn2O4 / Fd-3m (227) / materials id 756297](https://mdr.nims.go.jp/datasets/f2e35313-3ca0-4216-bc0c-6eb22e449527) ## Fulltext elements: [Zn, In, 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: [65.39, 114.8, 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: [7.524403809797733e+02, 6.216221586738766e+01, 2.439727509482047e-02, 1.323550168814105e+01, 2.397832755642413e-02, 1.525674130974491e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.717155461255689e+04, 0.000000000000000e+00, 4.590674979641884e+03, 0.000000000000000e+00, 3.829545305577659e+03, 2.483928687622877e+00, -9.252860532051066e+00, -6.138263821466591e+03, 5.312351549254474e+04, 7.228696370111795e+01, 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