/usr/local/lib/python3.8/dist-packages/ase/atoms.py:967: VisibleDeprecationWarning: Use get_global_number_of_atoms() instead
  warnings.warn('Use get_global_number_of_atoms() instead',

{"realtime":35.36,"usertime":46.40,"systime":56.96,"memmax":88780,"memavg":0}