# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/82d0d8be-1075-417e-9273-77eaa2a43aef/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 ThSe2 / Pnma (62) / materials id 7951](https://mdr.nims.go.jp/datasets/76fb901d-9ddb-418f-9a43-dd200cb36964) ## Fulltext elements: [Se, 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: [78.96, 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: [2.992006452252700e+02, 3.147124289285719e+02, 2.558663216137855e+06, -2.765677644745921e+06, -3.059646571496420e+06, 4.955202632191333e+05, 0.000000000000000e+00, 0.000000000000000e+00, 4.257361619823529e+07, 3.858518212508249e+07, 5.360880318363032e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.292783168310650e+07, -1.497578255634556e+05, 0.000000000000000e+00, 0.000000000000000e+00, -7.106031740778064e+06, 2.289362791013276e+07, -9.281872592758888e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.150786093517718e+07, -2.225346145242135e+06, -1.231119310308240e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.600019577042583e+07, 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