Enter a species (e.g. Al, Fe): Zr Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: Sim_LAMMPS_ADP_SmirnovaStarikov_2017_ZrNb__SM_937902197407_000 Enter hexagonal lattice constants 'a' and 'c' (m): 3.214933028954569e-10, 5.172576733515725e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -12.938568 Iterations: 74 Function evaluations: 190 Finished calculation C11 = 170.1760673480754 GPa C12 = 76.94615613179478 GPa B = 108.02279320388831 GPa