# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e50bc55e-a966-4414-bffe-1ba4522d60c2/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 RbGe / P-43n (218) / materials id 1888](https://mdr.nims.go.jp/datasets/2376fe3f-a340-49b3-a6a1-57e3b08253fd) ## Fulltext elements: [Ge, Rb]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]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [1.457966893120877e+00, 2.274812592926608e+02, 1.822338863698481e+03, 3.882948316866265e+02, 8.538988887898501e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.257481269654772e+02, -3.834063260315447e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.691936356887645e+02, 1.818422879625333e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.654964859337359e+02, -5.134161132207412e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -9.964805297812181e+02, 2.982177510940150e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.314500633958922e+02, 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