/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":55.10,"usertime":76.04,"systime":99.43,"memmax":90376,"memavg":0}