/anvil/scratch/x-bwaters/jobs/jobs/a9884a14-0d49-4be2-9ce5-8394dd423c1a-007/TE_493894422725_004-and-MO_769582363439_006-1752096995/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/a9884a14-0d49-4be2-9ce5-8394dd423c1a-007/TE_493894422725_004-and-MO_769582363439_006-1752096995/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":6.17,"usertime":5.97,"systime":8.13,"memmax":226944,"memavg":0}