/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner 
/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner
Ba
bcc
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ba__MO_676977998912_002
5.02557587624e-10