/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":2318.14,"usertime":2973.35,"systime":2826.89,"memmax":81848,"memavg":0}