Geometry optimization status Iteration: 25 Total enthalpy : -6.349395 kcal/mol External pressure term : 0.000000 kcal/mol Total energy : -6.349395 kcal/mol Contributions to total energy (kcal/mol): Non-bond energy : -6.349 van der Waals : -6.293 Long range correction : -0.057 Electrostatic : 0.000 rms force : 0.000E+000 kcal/mol/A max force : 0.000E+000 kcal/mol/A rms stress : 1.492E-005 GPa max stress : 3.654E-005 GPa Cell parameters: a: 7.467432 A b: 7.467432 A c: 7.467432 A alpha: 90.000 deg beta: 90.000 deg gamma: 90.000 deg