/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner 
/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner
W
bcc
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_W__MO_646516726498_004
3.153576523065567e-10
1.413729970711572e-18