# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/570864a4-b9c2-4ca3-ba9c-04ed6b22da15/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 GeSe / Pnma (62) / materials id 700](https://mdr.nims.go.jp/datasets/b72a4efe-50d3-4601-82e8-0073673866ad) ## Fulltext elements: [Ge, Se]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: [72.61, 78.96]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: [-2.837453218305461e+02, 9.166750047275633e+00, -5.648959497464860e+03, 0.000000000000000e+00, -9.333017163162868e+05, -4.499221680988176e+03, 4.559753582620207e+06, 0.000000000000000e+00, 0.000000000000000e+00, 1.555926187725271e+06, 2.847594333538307e+04, -9.850443953477768e+06, 0.000000000000000e+00, 0.000000000000000e+00, -4.437719602324141e+06, 9.687374309215747e+04, 2.916308840482149e+06, 0.000000000000000e+00, 0.000000000000000e+00, -2.365379016388415e+07, -1.130705345658883e+03, 2.641352700478762e+05, 0.000000000000000e+00, -8.840264655737752e+07, 2.644318571250700e+06, 1.957688463571531e+03, -1.960644145882798e+07, 0.000000000000000e+00, 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