/anvil/scratch/x-bwaters/jobs/jobs/01c1c745-dc22-4bc7-a42b-a349ccbee477-007/TE_493894422725_004-and-MO_870117231765_001-1751989894/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/01c1c745-dc22-4bc7-a42b-a349ccbee477-007/TE_493894422725_004-and-MO_870117231765_001-1751989894/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":27.06,"usertime":26.55,"systime":7.65,"memmax":589764,"memavg":0}