/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_MedCutoff_Kr__MO_984281096460_002
5.63442888111e-10