/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_001/runner Pair_Lennard_Jones_Shifted_Bernardes_LowCutoff_Kr__MO_995724792024_002 Kr 83.798 diamond 9.15664300323 0.8 1.5 18 23 8 20