/disk2/worker/repository/td/SurfaceTest__TD_955413365818_002/runner 
/disk2/worker/repository/td/SurfaceTest__TD_955413365818_002/runner
Ne
fcc
Pair_Lennard_Jones_Shifted_Bernardes_MedCutoff_Ne__MO_160637895352_002
4.2296808362e-10