Enter a species (e.g. Al, Fe): Cu Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 Enter hexagonal lattice constants 'a' and 'c' (m): 2.55610150057753e-10, 4.162378150671354e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -7.064356 Iterations: 71 Function evaluations: 188 Finished calculation C11 = 220.08622176632875 GPa C12 = 91.03742255454598 GPa B = 134.05368895847357 GPa