/scratch/08773/bwaters/jobs/jobs/452807ba-bb33-4a0f-9295-b76597d09649-007/TE_493894422725_004-and-MO_267721408934_006-1755733750/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/08773/bwaters/jobs/jobs/452807ba-bb33-4a0f-9295-b76597d09649-007/TE_493894422725_004-and-MO_267721408934_006-1755733750/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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