../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Sim_LAMMPS_ADP_WangXuQian_2021_AuRh__SM_066295357485_000 Au 196.96655 bcc 3.256378963589668e-10 0.5 1.5 30 23 8 20