../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Tersoff_LAMMPS_DawLawsonBauschlicher_2011pot2_ZrB__MO_728716510644_000 Zr 91.224 diamond 6.53697656840086e-10 0.8 1.5 18 23 8 20