Si fcc SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_004 4.146581918001175
Warning: Maximum number of iterations has been exceeded.

C11 =   738.819912 +/-     0.007336 GPa
C12 =   780.249387 +/-     0.005187 GPa
C44 =    93.358337 +/-     0.001834 GPa
B   =   766.439562 +/-     0.004235 GPa