Enter a species (e.g. Al, Fe): U 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): 3.458292328716343e-10, 3.731562277348384e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -10.236098 Iterations: 73 Function evaluations: 189 Finished calculation C11 = 501.03712268948794 GPa C12 = 206.96014348217594 GPa B = 304.98580321794657 GPa