B bcc Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 2.726100683212281 Optimization terminated successfully. Current function value: -5.559405 Iterations: 1064 Function evaluations: 3170 C11 = 26347.954336 +/- 0.007336 GPa C12 = 26292.357998 +/- 0.005187 GPa C44 = 23.962143 +/- 0.001834 GPa B = 26310.890111 +/- 0.004235 GPa