# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9309eb82-7bb8-425b-80e7-655c06e52bf5/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 RbLuO2 / R-3m (166) / materials id 7480](https://mdr.nims.go.jp/datasets/79a41d56-634a-40aa-978f-eaf271947ddb) ## Fulltext elements: [O, Rb, Lu]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, 175.0]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: [1.167148577367201e+00, 4.979660483206782e-01, 4.455499928563637e-02, 2.799946343160959e+01, 5.106598622833717e+02, 6.455925966912251e+01, 3.718300586831422e+03, 3.229642645685969e+04, 2.202500220042099e+02, 2.745303855866428e+03, -1.753379523285391e+02, 8.323731672602797e+03, 0.000000000000000e+00, 9.337382733075607e+00, 2.891963388141680e+04, 3.550106162105564e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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