U bcc Sim_LAMMPS_ADP_TseplyaevStarikova_2016_UN__SM_474015477315_000 3.3925037756562233 Optimization terminated successfully. Current function value: -10.761809 Iterations: 73 Function evaluations: 194 C11 = 445.698400 +/- 0.007336 GPa C12 = 136.153343 +/- 0.005187 GPa C44 = 136.178849 +/- 0.001834 GPa B = 239.335029 +/- 0.004235 GPa