# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cf4337d6-c275-4177-8d5a-84ef6869b7b5/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 KGe / P-43n (218) / materials id 2146](https://mdr.nims.go.jp/datasets/7799b42d-4578-42ca-b87f-215bd9891761) ## Fulltext elements: [K, Ge]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: [39.1, 72.61]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: [-5.303704452790985e+00, 1.505932214804225e+02, 1.863687910382880e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.356248486070665e+07, 3.268675283438186e+05, 3.833471617195375e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.145214230181483e+06, 3.264781091718972e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.966332579953425e+05, 5.949818523273802e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.768943187217054e+06, 6.131542825742168e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.551529271600549e+04, -9.381496992487880e+02, 0.000000000000000e+00, 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