/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',
../../td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_001/runner:229: RuntimeWarning: Maximum number of function evaluations has been exceeded.
  tmpCellVector, tmpEnVacancy = fmin(

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