/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_001/runner Pair_Lennard_Jones_Shifted_Bernardes_MedCutoff_Kr__MO_984281096460_002 Kr 83.798 bcc 4.5094974488 0.8 1.5 18 23 8 20