# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/aa671c54-1e24-4d51-9915-a8deaa4fb968/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 Pr2SO2 / P-3m1 (164) / materials id 3236](https://mdr.nims.go.jp/datasets/05842186-18d6-4522-8dad-c15d5710a881) ## Fulltext elements: [O, S, Pr]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, 140.9]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: [2.310024615734871e+00, 2.254018046033771e+01, 3.047245609193442e-01, 1.327539000858472e+03, 2.051895450506325e+00, 8.784505919170771e+02, -9.541290631376286e+02, 1.605070059021495e+05, 1.145895584353680e+03, 0.000000000000000e+00, 4.625423299023160e+04, 0.000000000000000e+00, 3.684217301261891e+05, 1.604196118148236e+02, 1.140723194683689e+04, 1.023100957387698e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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