/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner Ar fcc LJ_Shifted_Bernardes_1958LowCutoff_Ar__MO_720819638419_003 5.266347639262677e-10 1.28530726599484e-20