# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f70c6a7b-af62-4516-94ad-d855e7850ceb/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 Y2SO2 / P-3m1 (164) / materials id 12894](https://mdr.nims.go.jp/datasets/fc09f17e-73f5-434a-bbcb-17197b032df6) ## Fulltext elements: [O, S, Y]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: [16.0, 32.07, 88.91]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: [1.377315651537634e+00, 6.137431431734639e+00, 1.070452655532809e-01, 2.082436052903768e+02, 6.427786291848990e-01, 2.448960718182643e+02, 3.948863963361896e+02, -1.307327069946081e+04, 3.850137064468815e+02, 2.227763428161619e+05, 1.044260837272587e+04, 0.000000000000000e+00, 1.697230352618780e+04, 6.102178628109218e+01, 3.527960199189741e+02, 2.638270416057036e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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