/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner Ne fcc LJ_Shifted_Bernardes_1958MedCutoff_Ne__MO_160637895352_003 4.2296808362e-10