O diamond Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000 4.043487459421158 C11 = 601.442813 +/- 0.007336 GPa C12 = 193.466630 +/- 0.005187 GPa C44 = 155.173014 +/- 0.001834 GPa B = 329.458691 +/- 0.004235 GPa