/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner 
/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner
W
bcc
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_W__MO_489351836217_002
3.18056891859e-10