/anvil/scratch/x-bwaters/jobs/jobs/e3fe3a5c-cd0e-4410-984b-ef9c4250c6f9-007/TE_493894422725_004-and-MO_650279905230_006-1752174631/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/e3fe3a5c-cd0e-4410-984b-ef9c4250c6f9-007/TE_493894422725_004-and-MO_650279905230_006-1752174631/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":9.69,"usertime":6.57,"systime":5.69,"memmax":221396,"memavg":0}