/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner 
/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner
K
bcc
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_K__MO_836927321152_002
5.20070469379e-10