# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d4c1da01-6039-473b-99db-ed1f5e39cd7f/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 Si5Ir3 / P2_1/c (14) / materials id 2084](https://mdr.nims.go.jp/datasets/fd174aa6-9276-4564-a5e1-9f5a95246fa5) ## Fulltext elements: [Si, Ir]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, 192.2]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: [1.495815223400053e+01, -8.698492437940063e+00, -2.692441900996792e+02, -9.782981162402568e+04, -4.917598190635721e+04, 3.332476890093335e+03, -9.162271409066214e+04, 1.530838749981666e+06, -2.201376700511700e+05, -3.634521022260637e+04, 5.836273775755777e+03, -2.759512275639945e+05, 1.963663057174331e+06, -1.542270012954639e+05, 4.576130900210761e+05, -2.472648839365788e+03, -1.771908298200228e+06, 1.436320919849398e+07, 1.422032084392575e+05, 1.065069967133440e+05, 9.418847920634316e+03, -1.206137640514287e+06, 8.733881839319888e+05, -7.181686887506448e+04, -8.520222799054787e+03, -2.620988013071818e+03, 1.382037107764642e+06, -9.853199303339211e+06, 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