/scratch.global/bwaters/jobs/6ed3c1f4-24e8-4918-8775-e9814383801f-007/TE_440844375214_004-and-MO_463728687265_001-1751747391/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc
  surf.set_calculator(calc)
/scratch.global/bwaters/jobs/6ed3c1f4-24e8-4918-8775-e9814383801f-007/TE_440844375214_004-and-MO_463728687265_001-1751747391/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_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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