/scratch.global/bwaters/jobs/6ccfa61c-f0e0-4959-b3fe-ee179435b26f-007/TE_493894422725_004-and-MO_675947402254_000-1750716841/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/6ccfa61c-f0e0-4959-b3fe-ee179435b26f-007/TE_493894422725_004-and-MO_675947402254_000-1750716841/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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