Geometry optimization status Iteration: 30 Total enthalpy : -14.403801 kcal/mol External pressure term : 0.000000 kcal/mol Total energy : -14.403801 kcal/mol Contributions to total energy (kcal/mol): Non-bond energy : -14.404 van der Waals : -14.234 Long range correction : -0.170 Electrostatic : 0.000 rms force : 1.415E-006 kcal/mol/A max force : 1.415E-006 kcal/mol/A rms stress : 3.145E-006 GPa max stress : 7.704E-006 GPa Cell parameters: a: 11.526183 A b: 11.526183 A c: 11.526183 A alpha: 90.000 deg beta: 90.000 deg gamma: 90.000 deg