# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0f2231ae-db4e-4c9f-aac1-e0252ee07b26/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 RbTlO2 / R-3m (166) / materials id 8176](https://mdr.nims.go.jp/datasets/e8686c4b-96a8-44ef-8a8b-1b9ed4b013a6) ## Fulltext elements: [O, Rb, Tl]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, 85.47, 204.4]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: [1.919447876943201e+00, 2.603080719398723e-01, 3.227015160438153e-02, 4.291584928129796e+01, 2.149340696394528e+02, 1.203786685154756e+02, 1.054818341654811e+04, 1.439393901059386e+04, 1.452771848069124e+02, 1.212636300145346e+03, 2.010258197546254e+02, 5.916354953241927e+04, 0.000000000000000e+00, 9.200002295600802e+00, 5.657857761627983e+04, -3.766750798223914e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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