/anvil/scratch/x-bwaters/jobs/jobs/0eee09fa-6821-46d2-9060-0103953af8fa-007/TE_493894422725_004-and-MO_466808877130_001-1753726114/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/0eee09fa-6821-46d2-9060-0103953af8fa-007/TE_493894422725_004-and-MO_466808877130_001-1753726114/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":16.51,"usertime":11.15,"systime":6.51,"memmax":341668,"memavg":0}