# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2a9c2219-983d-42ea-96f5-0b13660b3d95/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 FeS2 / Pa-3 (205) / materials id 226](https://mdr.nims.go.jp/datasets/bddc3cac-ebc0-4d65-af3e-25626e57a947) ## Fulltext elements: [S, 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: [32.07, 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: [-3.298933803928664e-01, -2.003305935664206e+00, 1.315400064857935e+04, 2.754212704215331e+02, 8.398274994718073e+02, 9.501239868486260e+01, 3.559379843250971e+06, 0.000000000000000e+00, -1.152743053243523e+02, -1.610807477319365e+03, 1.083012740653679e+02, 4.495909336395560e+07, 0.000000000000000e+00, 9.007741059712407e+01, -6.536040641714413e+02, -1.745312305154888e+03, 0.000000000000000e+00, 0.000000000000000e+00, 4.740134977757144e+01, 2.651929740244962e+02, 7.239152353395817e+02, 9.242649874951860e+06, 0.000000000000000e+00, 8.483487467066535e+00, -2.304465102975075e+03, 4.937522798922050e+01, 4.302077076933524e+06, 0.000000000000000e+00, -5.125023102849229e+01, 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