/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner Ne fcc LJ_Shifted_Bernardes_1958MedCutoff_Ne__MO_160637895352_003 4.229680836200714e-10 4.132174335043411e-21