Si diamond SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_004 5.430949747562409
Warning: Maximum number of iterations has been exceeded.

C11 =   161.669285 +/-     0.007336 GPa
C12 =    81.592858 +/-     0.005187 GPa
C44 =    60.268290 +/-     0.001834 GPa
B   =   108.285000 +/-     0.004235 GPa