# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/60c54048-744a-4ddd-b3ee-5ca66e2cb244/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 RbSi / P-43n (218) / materials id 1074](https://mdr.nims.go.jp/datasets/cf015083-1dec-47f8-b1d2-4754810ab8ae) ## Fulltext elements: [Si, 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: [28.09, 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: [8.204106592062759e-01, 1.434938797926614e+02, 7.720068432823504e+02, 1.255502121901377e+02, -1.402134378605312e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.096990703612590e+02, -1.758342339241605e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.160921556945751e+02, 1.071313087655437e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.963196612121748e+02, -2.240738187777822e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.115740795573664e+02, 4.766175283899324e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -9.281074025070930e+01, 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