/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_001/runner Pair_Lennard_Jones_Shifted_Bernardes_HighCutoff_Ar__MO_242741380554_002 Ar 39.948 diamond 8.47745285183 0.8 1.5 18 23 8 20