/anvil/scratch/x-bwaters/jobs/jobs/06879511-e04c-425d-912d-6c829fac23e4-007/TE_829236286581_004-and-MO_944449444863_001-1751989074/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_bcc_V__TE_829236286581_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc
  surf.set_calculator(calc)
/anvil/scratch/x-bwaters/jobs/jobs/06879511-e04c-425d-912d-6c829fac23e4-007/TE_829236286581_004-and-MO_944449444863_001-1751989074/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_bcc_V__TE_829236286581_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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