/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner Cs bcc Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cs__MO_256406354561_002 6.25258497894e-10