# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8ce28700-cbb9-41b7-85b6-6703f3c81504/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 Hg(AuF4)2 / P4/mcc (124) / materials id 29170](https://mdr.nims.go.jp/datasets/346093ea-cbd9-4801-bc6a-ca599104f029) ## Fulltext elements: [F, Au, 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: [19.0, 197.0, 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: [5.431196449504096e+00, 1.928661505573409e-01, 5.811285202871897e-02, -1.262958023944057e+04, -1.562781074288365e+03, 0.000000000000000e+00, -7.836592895757999e+02, 6.522863131207852e+02, -1.890454539808419e+03, 9.058996073486911e+00, -6.838382818704711e+01, 1.909838215607916e+06, 1.673169635532082e+06, 1.116271711612310e+02, 6.449700156411491e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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