Cu diamond Sim_LAMMPS_Polymorphic_Zhou_2004_CuTa__SM_453737875254_000 5.190524995326996
Warning: Maximum number of iterations has been exceeded.

C11 = -913456.711087 +/-     0.007336 GPa
C12 =   111.674440 +/-     0.005187 GPa
C44 = -685113.513514 +/-     0.001834 GPa
B   = -304411.120736 +/-     0.004235 GPa