# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/26362dd7-1056-492d-b0c7-e653404e6bb6/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 Nd2HgO4 / C2/m (12) / materials id 11691](https://mdr.nims.go.jp/datasets/675ef974-443c-4918-9e7d-36a1f57e4101) ## Fulltext elements: [O, Nd, 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, 144.2, 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: [1.617637403516026e+01, 2.987420085001172e+00, 2.856728192464493e-01, 4.857376845126959e+03, 1.937474513844211e+02, 1.857999720978374e+01, -2.409483960138901e+04, 1.460004893244769e+04, 9.574021946600252e+02, -1.541466607750547e+02, -2.614925584834495e+03, 4.055068871369689e+06, 3.671996775426821e+05, 6.746390736352546e+01, -8.861501865169173e+04, 2.964718213689546e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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