/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner Xe fcc LJ_Shifted_Bernardes_1958MedCutoff_Xe__MO_849320763277_004 6.143842980265625e-10 2.667215763819933e-20