/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner 
/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner
Kr
fcc
LJ_Shifted_Bernardes_1958LowCutoff_Kr__MO_995724792024_003
5.653579071164131e-10
1.730298147993087e-20