Li diamond Sim_LAMMPS_ReaxFF_IslamOstadhosseinBorodin_2015_LiS__SM_058492438145_000 4.472537845373154 Optimization terminated successfully. Current function value: -11.430119 Iterations: 69 Function evaluations: 179 C11 = 48.548987 +/- 0.007336 GPa C12 = 58.295601 +/- 0.005187 GPa C44 = -5.721580 +/- 0.001834 GPa B = 55.046730 +/- 0.004235 GPa