# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/26a8e2eb-8809-41ca-82a6-e0b072bcd71d/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 RuS2 / Pa-3 (205) / materials id 2030](https://mdr.nims.go.jp/datasets/64b32548-3ea5-4227-aa04-5eebdd5eef7c) ## Fulltext elements: [S, 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: [32.07, 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: [6.925529296419705e-02, -1.281604329024551e+00, -5.120116849625300e+03, 2.400021149630570e+02, 1.038338710158790e+03, -7.344116623423878e+01, -2.582586280325253e+06, 0.000000000000000e+00, -7.494354076037010e+00, -1.921089121267060e+03, -8.772582569965804e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.122176282544349e+02, -8.653020913654992e+02, -1.312419103760290e+03, 0.000000000000000e+00, 0.000000000000000e+00, 8.869215488920524e+01, 4.172940694808912e+02, 2.762234665674551e+03, 0.000000000000000e+00, 0.000000000000000e+00, -4.845792279332669e+01, -1.500178786994754e+03, 6.952005776209625e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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