# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ae5c527e-928c-4b9b-8e35-70c932acb2d0/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 CuRhO2 / R-3m (166) / materials id 14116](https://mdr.nims.go.jp/datasets/bf927e3c-42d1-4d78-9e84-d52ded21ba80) ## Fulltext elements: [O, Cu, Rh]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, 63.55, 102.9]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: [3.550421796356976e-01, 3.303427117909299e-02, 4.764832398526762e-02, -1.487397234885174e+00, -2.516724029575445e+01, -1.199711983316754e+01, 5.425763223617657e+02, -1.973889549167271e+01, 4.413565746706114e+00, 4.100976029245936e+00, -3.405328623538431e-01, 3.180169842219846e+02, 2.076875550232365e+03, 2.678211840382608e+00, -3.750774525676590e+03, 2.600541657886381e+02, -1.115460813792259e+02, 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