Enter a species (e.g. Al, Fe): Ga Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_000 Enter hexagonal lattice constants 'a' and 'c' (m): 2.86075560018924e-10, 5.012045721979507e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -8.769863 Iterations: 56 Function evaluations: 137 Finished calculation C11 = 397.72335748435006 GPa C12 = 106.72340692728693 GPa B = 203.72339044630795 GPa