/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner Ar fcc LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_003 5.24850905687e-10