++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+++++++++++++++++++++ MINIMIZATION ITER #:    1 ++++++++++++++++++++++
  Energy    =  -16.8903481568 eV
  Max force =    0.0409500446 eV/A
  Max dr    =    0.0423429600 A
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++



Writing final coordinates to min.xyz
Info: Finished writing information to 'restart/gs'.

