# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f6fe4528-5d14-4835-bd01-55e2d0279e8c/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 Rb3CuO2 / P2_1/c (14) / materials id 28568](https://mdr.nims.go.jp/datasets/36d50d12-27b4-4f47-8893-233599469f04) ## Fulltext elements: [Rb, Cu, O]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: [85.47, 63.55, 16.0]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: [1.476380158332834e+02, 1.817185405372810e+01, 1.034997583700200e+00, 0.000000000000000e+00, 3.964315695017207e-02, 2.208579543857699e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.452297475806969e+05, 5.119447824699554e+05, -1.950955163959364e+05, 0.000000000000000e+00, 7.007379203522836e+02, -4.538968587173441e+02, -1.897513338925085e+02, 7.775399863535463e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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