/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner 
/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner
K
bcc
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_K__MO_749732139672_004
5.334010653197766e-10
1.338139471475096e-19