# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0e3241c6-f6a7-4133-baeb-59b36a69a3e7/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 YbRbF3 / Pm-3m (221) / materials id 6952](https://mdr.nims.go.jp/datasets/fb47f090-f0b3-4ee8-964d-d88c528e16a9) ## Fulltext elements: [F, Rb, Yb]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: [19.0, 85.47, 173.0]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: [3.296645436638560e+00, 5.028210731745566e-01, 2.309563482466981e-01, -7.216850363685503e+02, 9.260158431169248e+01, 7.624634740068683e+03, 1.151400375501843e+04, 5.958361974945536e+03, 1.255855867822218e+02, 6.440295008409256e+03, -5.320805376804284e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.933306441934002e+01, -2.507761969343690e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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