/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner Ne fcc LJ_Shifted_Bernardes_1958HighCutoff_Ne__MO_966254629593_003 4.22618636489e-10