# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c1243904-e9a2-482e-b252-53cef76e901f/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 Ga2HgO4 / Fd-3m (227) / materials id 755239](https://mdr.nims.go.jp/datasets/8c246f9d-3433-4e9c-a8db-98e9b82f240d) ## Fulltext elements: [Ga, Hg, 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: [69.72, 200.6, 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: [9.410974918945801e+00, 6.436474166161167e+00, 8.150935223460720e-03, 6.805307004303478e+02, 7.391940214562277e-02, 1.619599907986540e-01, -4.774031894962832e+03, 0.000000000000000e+00, -2.194697784611768e+01, 0.000000000000000e+00, 7.190111121626343e+03, 0.000000000000000e+00, 1.253314350877463e+04, 6.444128071800961e-01, -3.743855171339948e+00, 6.958996103561224e+00, 0.000000000000000e+00, 2.403811472952463e+04, 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