B diamond Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 4.413796216249466 Optimization terminated successfully. Current function value: -59.289409 Iterations: 71 Function evaluations: 188 C11 = 435.148399 +/- 0.007336 GPa C12 = 73.855387 +/- 0.005187 GPa C44 = 188.769695 +/- 0.001834 GPa B = 194.286391 +/- 0.004235 GPa