Cu sc Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 2.3928460627794275 Warning: Maximum number of iterations has been exceeded. C11 = 321.395742 +/- 0.007336 GPa C12 = 24.993434 +/- 0.005187 GPa C44 = -19.951175 +/- 0.001834 GPa B = 123.794203 +/- 0.004235 GPa