# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dd142bf2-581d-4b85-9c9e-ef476c23afc6/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 HfPbS3 / Pnma (62) / materials id 22147](https://mdr.nims.go.jp/datasets/9aea53ab-01c1-46fa-aecf-c8c1914cb581) ## Fulltext elements: [S, Hf, Pb]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, 178.5, 207.2]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: [-5.764002772493535e+02, -2.285577942988155e+00, -3.171492634599930e+00, 9.344507899340509e+02, -1.618373887027072e+03, 1.154220883580213e+03, 0.000000000000000e+00, -1.127633659715965e+05, 4.758815939613184e+06, -1.048205340708119e+03, -6.546679779512117e+04, 6.286367417671794e+06, -2.050529596008024e+06, -6.110122495196307e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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