/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_002/runner LJ_Shifted_Bernardes_1958HighCutoff_Kr__MO_923895531627_003 Kr 83.798 bcc 4.50510298461e-10 0.8 1.5 18 23 8 20