Geometry optimization status

Iteration:   125

Total enthalpy                  : 3588.744906 kcal/mol
  External pressure term        : 0.000000 kcal/mol

Total energy                    :        3588.744906 kcal/mol

Contributions to total energy (kcal/mol):
  Valence energy (diag. terms)  :        3416.614
    Bond                        :         163.691
    Angle                       :        2859.857
    Torsion                     :         277.760
    Inversion                   :         115.306
  Non-bond energy               :         172.131
    van der Waals               :         173.899
    Long range correction       :          -1.768
    Electrostatic               :           0.000
 
rms force  : 8.093E-004 kcal/mol/A     
max force  : 2.171E-003 kcal/mol/A
rms stress : 1.497E-004 GPa     
max stress : 3.020E-004 GPa
       
Cell parameters:    a:  36.755928 A    b:  36.755928 A    c:   5.939327 A   
                alpha:  90.000 deg  beta:  90.000 deg gamma: 120.000 deg