Ne fcc Morse_Shifted_Glyde_1970_Ne__MO_169434419764_004 4.299560785293579 Optimization terminated successfully. Current function value: -0.111624 Iterations: 70 Function evaluations: 182 C11 = 2.922741 +/- 0.007336 GPa C12 = 1.668887 +/- 0.005187 GPa C44 = 1.670618 +/- 0.001834 GPa B = 2.086838 +/- 0.004235 GPa