# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dcf6f31e-6d2b-4bd0-8b96-e749af7fd806/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 Zn3(PS4)2 / P-4n2 (118) / materials id 30311](https://mdr.nims.go.jp/datasets/67b2925f-555e-4f72-b6ef-daf3c5e04901) ## Fulltext elements: [P, S, Zn]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: [30.97, 32.07, 65.39]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: 6type_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: [0, 2] 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]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [0.000000000000000e+00, 4.313401103580356e-01, 1.062326101795679e+02, 2.893927511998058e+01, -1.332188430551620e-01, -1.384921294764151e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.248629193957002e+01, 4.304255162917759e+04, 2.362160208232994e+04, -9.060943956087189e+02, 0.000000000000000e+00, 3.435492500279381e+05, 0.000000000000000e+00, 8.234867525030178e+05, 2.141049574570972e+05, 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