Xe diamond LJ_Shifted_Bernardes_1958LowCutoff_Xe__MO_648694198005_004 9.984503790736198 Optimization terminated successfully. Current function value: -0.451501 Iterations: 1064 Function evaluations: 3164 C11 = 0.515221 +/- 0.007336 GPa C12 = 0.667012 +/- 0.005187 GPa C44 = -0.173124 +/- 0.001834 GPa B = 0.616415 +/- 0.004235 GPa