Al sc Sim_LAMMPS_AGNI_BotuBatraChapman_2017_Al__SM_666183636896_000 2.25 Warning: Maximum number of function evaluations has been exceeded. C11 = 0.000000 +/- 0.007336 GPa C12 = 0.000000 +/- 0.005187 GPa C44 = 0.000000 +/- 0.001834 GPa B = 0.000000 +/- 0.004235 GPa