/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner 
/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner
Kr
fcc
LJ_Shifted_Bernardes_1958HighCutoff_Kr__MO_923895531627_003
5.62977388501e-10