# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7159bb44-1c41-47d1-bea8-79afbde6d56b/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 Th2S5 / Pbcn (60) / materials id 1666](https://mdr.nims.go.jp/datasets/82f64424-0db4-4aca-89d9-9e3a1cfd5029) ## Fulltext elements: [S, Th]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, 232.0]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: [3.287232343057184e+01, 4.807872339832488e+01, -1.251904982395552e+06, -5.629429779814674e+03, -1.234430706083434e+04, 8.707423063380842e+05, 0.000000000000000e+00, 0.000000000000000e+00, -3.768815685146809e+03, 1.400481118266564e+06, 3.520905189839697e+06, 0.000000000000000e+00, 0.000000000000000e+00, -2.638907416736876e+03, 2.673419469688209e+05, -1.138717725424394e+06, 0.000000000000000e+00, 0.000000000000000e+00, -1.736390952682767e+03, -8.780894194899042e+05, 6.161767249840286e+05, 0.000000000000000e+00, 0.000000000000000e+00, 2.209588947982134e+03, 8.800713705865842e+04, 8.587823755127944e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.548156600792200e+03, 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