/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner Ba bcc Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ba__MO_229241184339_002 5.03446111083e-10