# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4ad931dd-a61c-4508-896a-07becaee1c37/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 ThS2 / Pnma (62) / materials id 1146](https://mdr.nims.go.jp/datasets/f35ed9e0-ac97-4513-892b-45a4731b8094) ## 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: [2.414223945417407e+02, 1.513155759621133e+02, -1.923511730268987e+05, -1.103301627832995e+06, 9.172570932513563e+05, 6.831007606739686e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.284304010449664e+07, 4.219119331470634e+06, 3.656256430038940e+05, 0.000000000000000e+00, 0.000000000000000e+00, -1.014922449817424e+07, -7.687028337435480e+06, 1.273660521802875e+05, 0.000000000000000e+00, 0.000000000000000e+00, -3.836007433583456e+06, 4.047121945256972e+06, -1.229082669130536e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.768426758120172e+06, -5.252905183301975e+05, -4.150650980240588e+04, 0.000000000000000e+00, 0.000000000000000e+00, 7.968200380419252e+06, 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