/anvil/scratch/x-bwaters/jobs/jobs/08639154-21cc-4dfc-acbf-b55c7d8d9743-007/TE_493894422725_004-and-MO_803527979660_001-1750960585/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/08639154-21cc-4dfc-acbf-b55c7d8d9743-007/TE_493894422725_004-and-MO_803527979660_001-1750960585/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":30.97,"usertime":19.87,"systime":7.19,"memmax":360036,"memavg":0}