# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2da78803-5805-42df-9229-03aef5dca087/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 Pr2S3 / I-42d (122) / materials id 32692](https://mdr.nims.go.jp/datasets/a5a7e2de-ac79-4657-b8b4-9a1e3702fcc4) ## Fulltext elements: [Pr, S]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: [140.9, 32.07]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: [-2.698252392455201e+05, -1.033608416743029e+01, -2.850562960290208e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.456338784338726e+05, 4.127577042430159e+05, -6.915332775366795e+06, 0.000000000000000e+00, 0.000000000000000e+00, -6.672458019050067e+04, 8.048923613848906e+06, -3.203340145959251e+07, 0.000000000000000e+00, 0.000000000000000e+00, -4.185583417082278e+05, -1.763266178588896e+07, -9.992827567218535e+06, 0.000000000000000e+00, 0.000000000000000e+00, -3.971369811043716e+05, -9.433885453256497e+06, -1.794066030497451e+07, 0.000000000000000e+00, 0.000000000000000e+00, 3.058863983480067e+04, -9.797903697717123e+05, -2.274688098196595e+07, 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