# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b8cea5ea-99a8-4460-a790-afdc6802ee56/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 FeSi2 / Cmce (64) / materials id 1714](https://mdr.nims.go.jp/datasets/fdb9faa7-524a-4556-bd66-3e7b8f0137c9) ## Fulltext elements: [Si, Fe]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: [28.09, 55.85]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: [7.840333554110146e+00, 2.673654724100215e+00, 2.171816503503824e+01, -1.306669264128413e+02, 9.140569078628672e+03, 5.271439822646391e+02, 2.006540859283693e+04, -4.937147329726306e+05, -8.761604676644114e+03, 6.858015752530998e+03, 2.411143953832853e+03, -7.615435266922067e+04, 1.291717523222163e+05, 2.373840487015187e+03, -2.928235826097216e+03, -1.045052201295661e+03, -7.369977228247112e+04, 5.972019103228413e+05, 5.553574642635949e+03, 3.338134140964888e+03, 7.866466930410180e+02, 1.695408560244817e+04, -5.000973011835022e+05, 1.448224758132864e+02, 2.122755615058909e+03, 4.255534840220724e+01, 6.738116929325988e+04, 1.649747124415836e+05, 9.129704004715209e+02, 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