/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner Xe fcc LJ_Shifted_Bernardes_1958HighCutoff_Xe__MO_796748253903_003 6.13876706362e-10