/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_001/runner Pair_Lennard_Jones_Shifted_Bernardes_HighCutoff_Xe__MO_796748253903_002 Xe 131.293 diamond 9.92360654473 0.8 1.5 18 23 8 20