# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/313d2613-9f6c-4a9f-9963-d6fc8380c232/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 ZrS2 / P-3m1 (164) / materials id 1186](https://mdr.nims.go.jp/datasets/148f5bf0-5b91-4813-9db5-61effa5e12ea) ## Fulltext elements: [S, Zr]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: [32.07, 91.22]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-1.540653309941816e+03, -1.257267292218123e-02, -1.824607471439596e+02, 0.000000000000000e+00, -7.679560454178260e+04, 4.705244967158178e+01, 9.575000119529048e+04, 0.000000000000000e+00, 0.000000000000000e+00, 7.416861565369635e+04, 1.350102073495095e+03, -1.179794789799030e+07, 0.000000000000000e+00, 0.000000000000000e+00, -8.340169032049724e+06, -9.661052928896097e+03, -6.295726063969413e+06, 0.000000000000000e+00, 0.000000000000000e+00, -7.497764727702316e+04, 1.722504550576938e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.152226298297287e+04, -1.945134014579956e+01, -2.817095575292448e+06, 0.000000000000000e+00, 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