# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dfd943f1-b47f-45b4-b2ed-9e216df680aa/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 RbAuO2 / Cmcm (63) / materials id 7472](https://mdr.nims.go.jp/datasets/312bac27-7f16-42d0-b34d-a9b83f6a0df2) ## Fulltext elements: [O, Rb, Au]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, 197.0]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: [3.437024254423266e-02, 1.226786681186499e+00, 1.536175063639190e-01, 5.509196048642314e+03, 2.263063523129589e+01, -1.410961720203700e+01, 8.721265888085294e+03, 2.772635617633190e+04, 8.529189661853147e+01, -1.736939249050174e+03, -1.030604942498133e+02, 0.000000000000000e+00, 8.589887253383382e+05, 1.076013479500850e+01, 4.393888339460901e+03, 4.736692771015204e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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