# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/036b12c1-8c23-4a78-9f64-f7f4da295ccd/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 Si3Ru2 / Pbcn (60) / materials id 22192](https://mdr.nims.go.jp/datasets/18f1bc47-67dc-41d2-b667-ff7472790570) ## Fulltext elements: [Si, Ru]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, 101.1]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: [-3.917152031807043e+00, 5.725060350150953e+00, 3.496355002984629e+02, -3.198382151019127e+03, -2.030713181052131e+04, 1.602084143842693e+03, -1.152874273885838e+05, -2.647082224943968e+05, 2.731245978226736e+04, -2.024153000396623e+04, -2.319419622530908e+03, 1.907367731433727e+05, 1.242064266402964e+05, -7.229070714179354e+03, 4.302524486991413e+04, -5.395293819838180e+02, -1.672941088386262e+05, 4.701342869515019e+05, 2.355007189848924e+04, 5.332349773341637e+04, 6.903489088540547e+02, -6.601222174923490e+04, -1.948751285818379e+06, 1.489184551462719e+04, 1.087772625615344e+03, -1.882519824104469e+03, 5.204675452277938e+04, -7.144547415936090e+05, 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