/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner Kr fcc LJ_Shifted_Bernardes_1958MedCutoff_Kr__MO_984281096460_004 5.634428912401205e-10 1.865841502278781e-20