Enter a species (e.g. Al, Fe): Nb 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): 2.901207425850182e-10, 4.730150186809249e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -14.626214 Iterations: 72 Function evaluations: 190 Finished calculation C11 = 287.4056287408818 GPa C12 = 186.4315048354052 GPa B = 220.08954613723074 GPa