/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner Ar fcc LJ_Shifted_Bernardes_1958HighCutoff_Ar__MO_242741380554_003 5.24417297542e-10