Enter a species (e.g. Al, Fe): Si Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000 Enter hexagonal lattice constants 'a' and 'c' (m): 2.272684303308741e-10, 3.769428365122386e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -11.165064 Iterations: 73 Function evaluations: 190 Finished calculation C11 = 1320.2173949305584 GPa C12 = 347.7219902948347 GPa B = 671.8871251734092 GPa