/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner 
/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner
K
bcc
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_K__MO_749732139672_002
5.3340106532e-10