# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/482c726b-3361-4dae-8e67-93906fb7677d/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_121 (152) / materials id 634](https://mdr.nims.go.jp/datasets/3a6575f6-4765-4ac4-a23a-443e50859153) ## 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: [-3.353071390038952e+04, 1.313447836631973e+00, 4.809618297263419e+03, 0.000000000000000e+00, -2.404307208186222e+07, 1.417481826097246e+02, 1.999204257131237e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.922936132002615e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.293632346044667e+03, 1.227962768620075e+06, 0.000000000000000e+00, 0.000000000000000e+00, -9.428955611856644e+05, 4.600917722158482e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.667594813894315e+07, -3.388988513526300e+02, -5.627290828171176e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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