/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner 
/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner
Xe
fcc
LJ_Shifted_Bernardes_1958LowCutoff_Xe__MO_648694198005_004
6.164724573493004e-10
2.471399615633295e-20