/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner 
/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner
K
bcc
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_K__MO_202712315930_002
5.22235117108e-10