/scratch.global/bwaters/jobs/596597d4-3f6f-48fe-a8d8-dc75c29bb1fe-007/TE_493894422725_004-and-MO_942420706858_006-1751989278/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Fe__TE_493894422725_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc
  surf.set_calculator(calc)
/scratch.global/bwaters/jobs/596597d4-3f6f-48fe-a8d8-dc75c29bb1fe-007/TE_493894422725_004-and-MO_942420706858_006-1751989278/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Fe__TE_493894422725_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:128: FutureWarning: Please use len(self) or, if your atoms are distributed, self.get_global_number_of_atoms.
  num_atoms = surf.get_number_of_atoms()

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