Enter a species (e.g. Al, Fe): Zn Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_002 Enter hexagonal lattice constants 'a' and 'c' (m): 2.700186163329738e-10, 4.398343191085117e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -2.659748 Iterations: 74 Function evaluations: 194 Finished calculation C11 = 446.3578303950631 GPa C12 = 190.89515582423465 GPa B = 276.04938068117747 GPa