# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c56dd085-03b4-4d38-a4aa-d80c230e9102/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 HgS / P3_221 (154) / materials id 9252](https://mdr.nims.go.jp/datasets/83daab06-c1f3-4219-9de2-992666c1ae29) ## Fulltext elements: [S, 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: [32.07, 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: [9.482691331992592e+03, 2.774084213808374e+00, 9.628713227791632e+03, 0.000000000000000e+00, -1.500483091782240e+07, 1.635030489090167e+02, 4.307432884774781e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.089252447273085e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.525784543830599e+03, -1.701067073947040e+06, 0.000000000000000e+00, 0.000000000000000e+00, 1.163592642631760e+07, 5.899304759247025e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.190355543943867e+07, -1.686173947064882e+02, -1.228170444343983e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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