# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fd803ed2-dc54-41b0-aacc-1c8e8a76fce0/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 Rb3Ge4Au / Pmmn (59) / materials id 17830](https://mdr.nims.go.jp/datasets/35cc65ed-29c5-4b11-824e-3a054c56f7d1) ## Fulltext elements: [Ge, 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: [72.61, 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: [1.012867609593178e+00, 2.075813287501070e+02, 6.721665944440243e-01, 2.846650626304445e+02, -5.443948202806021e+00, 0.000000000000000e+00, 6.123524688033368e+02, 2.288826513768761e+05, 1.705699484964511e+03, 0.000000000000000e+00, 6.718120427409570e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.479652591287138e+03, -7.651609445299221e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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