# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6089f02b-9d41-465a-a2a1-bd6c54e0c5f1/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 Sb2PbO6 / P-31m (162) / materials id 20727](https://mdr.nims.go.jp/datasets/7f607578-10ff-46e3-b827-afe3f1d3098f) ## Fulltext elements: [O, Sb, 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: [16.0, 121.8, 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: [5.566642282230577e-01, 8.859648307739315e-02, 3.580960597230086e-01, -9.453086361560699e+00, -1.841294004949148e+04, 0.000000000000000e+00, 4.260501529246290e+03, 9.382829076121253e+01, 1.093082943805730e+04, 5.073676512347040e+00, -2.700889390791608e+01, 2.575691567295311e+03, -5.889144438246781e+04, 7.843160680009878e+02, 0.000000000000000e+00, 0.000000000000000e+00, -5.948416354360271e+05, 0.000000000000000e+00, 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