../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Sim_LAMMPS_ADP_WangXuQian_2021_AuRh__SM_066295357485_000 Au 196.96655 fcc 4.080000087618828e-10 0.8 1.5 18 23 8 20