# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a54eeacd-03b7-4dbb-bd8c-a675d8f6cea5/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 K2HgO2 / I4/mmm (139) / materials id 5860](https://mdr.nims.go.jp/datasets/af894c51-1e8f-4ebc-9783-80047ed67b39) ## Fulltext elements: [O, K, 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, 39.1, 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: [1.227824747698311e+04, 5.976539693782723e-01, 1.412382684904476e-01, 3.938823738235677e+01, 3.064560869109512e+01, -3.462132718605158e+02, 0.000000000000000e+00, 0.000000000000000e+00, 4.715186969142896e+04, 5.163441927912374e+02, -9.467732767571455e+01, 7.573659045702321e+04, 1.375594031225564e+05, 1.694664354056513e+01, 7.794277621295902e+02, 3.822434217652348e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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