Enter a species (e.g. Al, Fe): Al Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 Enter hexagonal lattice constants 'a' and 'c' (m): 2.819111997752582e-10, 4.94448169109484e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -6.664427 Iterations: 70 Function evaluations: 181 Finished calculation C11 = 100.74942735640577 GPa C12 = 48.668641238287876 GPa B = 66.0289032776605 GPa