/disk2/worker/repository/td/SurfaceTest__TD_955413365818_002/runner 
/disk2/worker/repository/td/SurfaceTest__TD_955413365818_002/runner
Kr
fcc
Pair_Lennard_Jones_Shifted_Bernardes_LowCutoff_Kr__MO_995724792024_002
5.65357904881e-10