Ne bcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 1.2767931595444681 Optimization terminated successfully. Current function value: -0.058061 Iterations: 84 Function evaluations: 224 C11 = 31.703248 +/- 0.007336 GPa C12 = 38.708078 +/- 0.005187 GPa C44 = 38.750760 +/- 0.001834 GPa B = 36.373135 +/- 0.004235 GPa