# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cd07979e-91cc-474a-a493-58fc5cb22c2b/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 SrHgO2 / R-3m (166) / materials id 28688](https://mdr.nims.go.jp/datasets/f8f9610e-24b4-4e42-8b64-3887faed66b6) ## Fulltext elements: [O, Sr, Hg]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, 87.62, 200.6]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: [3.170604219211775e+00, 1.084493489011513e-01, 1.069248087115115e-01, 5.926442142626084e+02, -1.148383358403146e+02, -2.262020637415972e+02, 2.699366831641680e+04, 3.307431965824406e+03, -1.306322875041424e+02, 5.997636303574249e+01, -1.353581292814387e+02, -1.026837800131122e+05, 1.053563306402750e+06, 1.616512504317699e+01, -1.855670476588007e+05, 1.155433034582278e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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