B fcc Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 3.849792450666428
Warning: Maximum number of iterations has been exceeded.

C11 =   572.918017 +/-     0.007336 GPa
C12 =   645.477534 +/-     0.005187 GPa
C44 =    28.005996 +/-     0.001834 GPa
B   =   621.291028 +/-     0.004235 GPa