C diamond Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 3.44976848364
Warning: Maximum number of function evaluations has been exceeded.

C11 =  1069.450036 +/-     0.007336 GPa
C12 =   225.118318 +/-     0.005187 GPa
C44 =   601.994164 +/-     0.001834 GPa
B   =   506.562224 +/-     0.004235 GPa