Enter a species (e.g. Al, Fe): N Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: Sim_LAMMPS_ADP_TseplyaevStarikova_2016_UN__SM_474015477315_000 Enter hexagonal lattice constants 'a' and 'c' (m): 2.218691496640313e-10, 3.76707360426915e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -14.326101 Iterations: 76 Function evaluations: 193 Finished calculation C11 = 2611.7026367019084 GPa C12 = 1382.2265884995215 GPa B = 1792.0519379003172 GPa