/anvil/scratch/x-bwaters/jobs/jobs/1d7c1d1b-4db7-43b6-ad15-8c4938562ac1-007/TE_493894422725_004-and-MO_807997826449_001-1752096723/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)
/anvil/scratch/x-bwaters/jobs/jobs/1d7c1d1b-4db7-43b6-ad15-8c4938562ac1-007/TE_493894422725_004-and-MO_807997826449_001-1752096723/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()

{"realtime":10.88,"usertime":6.92,"systime":5.46,"memmax":207116,"memavg":0}