/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner 
/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner
Fe
bcc
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_002
2.86883023381e-10