Nb fcc Sim_LAMMPS_ADP_SmirnovaStarikov_2017_ZrNb__SM_937902197407_000 4.105145111680031
Warning: Maximum number of iterations has been exceeded.

C11 =   172.847245 +/-     0.007336 GPa
C12 =   239.381213 +/-     0.005187 GPa
C44 =    69.370554 +/-     0.001834 GPa
B   =   217.203224 +/-     0.004235 GPa