/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001 Au 196.96655 bcc 3.298109486699104e-10 0.8 1.5 18 23 8 20