../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001 O 15.9994 bcc 5.162896990776062e-10 0.5 1.5 30 23 8 20