# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a4468428-ab30-4242-9060-3ba215b629b8/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 HgI / I4/mmm (139) / materials id 22859](https://mdr.nims.go.jp/datasets/106603ff-e5c1-4aee-997c-d07add81332f) ## Fulltext elements: [I, 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: [126.9, 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: [-4.915751412054404e+01, 1.017164839106050e+01, 4.134294216700981e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.958531048428960e+04, 4.018765618277734e+04, 2.854752902063286e+03, 0.000000000000000e+00, -1.313277339413651e+07, -1.126480191398928e+04, -1.197237728761223e+04, 1.651011932963517e+03, 0.000000000000000e+00, 6.876774536026543e+06, -8.334750211651110e+03, -2.648968170662726e+03, 1.269408584890337e+03, 0.000000000000000e+00, 1.112873388283401e+06, 9.362985315833894e+03, -1.873240985726397e+02, 1.066760869728803e+03, 0.000000000000000e+00, -5.787292647981405e+06, -8.938747890638277e+01, -1.774273438104921e+04, -9.485530415564193e+02, 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