# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/870a45b0-1e47-4744-92e8-0408b7a3e5a2/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 HgF2 / Fm-3m (225) / materials id 8177](https://mdr.nims.go.jp/datasets/ad8f336d-54d0-4cec-ba34-b070dcc0a4ed) ## Fulltext elements: [F, 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, 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: 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: [1.647832823077660e+00, 6.091246179431079e-01, 4.962214605755432e+02, -3.557105695480273e+03, 3.450083739540033e+02, 1.232331791376672e+02, 0.000000000000000e+00, 0.000000000000000e+00, 9.057048075473635e+03, -5.497788413804141e+02, 1.312074465438198e+02, 0.000000000000000e+00, 0.000000000000000e+00, -4.528524101399266e+03, -5.477475192418890e+03, 8.916077122125478e+01, 0.000000000000000e+00, 0.000000000000000e+00, -1.083161709038963e+03, 8.039388509437812e+02, 1.057245364511764e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.217529167231028e+03, 3.250417065087504e+02, -1.597326252788095e+02, 0.000000000000000e+00, 0.000000000000000e+00, -7.446869313888601e+03, 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