/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner Ar fcc Morse_SigmoidalSmoothed_Jelinek_1972_Ar__MO_071460865933_002 5.26229940355e-10