# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f9d9eabe-6aff-47a0-871f-e72f928ce141/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 / Pnnm (58) / materials id 1522](https://mdr.nims.go.jp/datasets/4e57ca44-a7ed-49ae-872f-c8b094ce76cc) ## 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: [3.315825342419889e-04, 2.888607475542122e-02, -3.321974283324920e+03, 1.431661921129418e+03, 1.214319270019141e+03, 1.992465466035787e+02, 1.425976390988811e+06, 0.000000000000000e+00, -4.022652548458992e+02, -2.021351291776105e+03, -1.760959658373809e+03, 3.092959328992018e+06, 0.000000000000000e+00, 1.638576777844713e+01, -1.943135522348036e+02, -1.948370254697978e+03, 4.403317782415510e+05, 0.000000000000000e+00, 3.975691045880666e+02, -1.518001001358769e+02, 1.492499324740640e+03, 1.403563546174848e+06, 0.000000000000000e+00, 1.599121069273035e+02, 4.881630923662250e+02, 1.199466142096770e+01, 2.000598911436734e+06, 0.000000000000000e+00, 5.677032919743564e+01, 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