Si diamond Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000 5.42900004238
Warning: Maximum number of function evaluations has been exceeded.

C11 =   166.372178 +/-     0.007336 GPa
C12 =    65.303774 +/-     0.005187 GPa
C44 =    77.094507 +/-     0.001834 GPa
B   =    98.993242 +/-     0.004235 GPa