Si bcc Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000 2.587695002555847
Warning: Maximum number of iterations has been exceeded.

C11 =   479.293261 +/-     0.007336 GPa
C12 =   525.228007 +/-     0.005187 GPa
C44 =   573.730945 +/-     0.001834 GPa
B   =   509.916425 +/-     0.004235 GPa