/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_001/runner Pair_Lennard_Jones_Shifted_Bernardes_MedCutoff_Xe__MO_849320763277_002 Xe 131.293 diamond 9.93435788155 0.8 1.5 18 23 8 20