/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner Ne fcc LJ_Shifted_Bernardes_1958LowCutoff_Ne__MO_466741694288_003 4.2440566197e-10