# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/519c7eb2-4d25-42e7-ac37-6abd316e4888/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 Sm2S3 / I-42d (122) / materials id 32645](https://mdr.nims.go.jp/datasets/534380f7-1c84-43b5-a8a8-2ddf27de84f8) ## Fulltext elements: [S, Sm]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, 150.4]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: [3.957558883711531e+01, -5.719452543858996e+00, -6.188288227839653e+04, 6.150062106468235e+05, -1.890149751800015e+06, 1.007266679420353e+05, 0.000000000000000e+00, 0.000000000000000e+00, -2.617412647597955e+07, 2.908924465267923e+06, -2.167061772955704e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.615894237357975e+06, -6.435738466533930e+06, -6.210694181600256e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.029625518598269e+05, -3.799509535565462e+06, -2.540076543890316e+04, 0.000000000000000e+00, 0.000000000000000e+00, -7.424325741219289e+06, -2.819681357909224e+06, -5.781541041685998e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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