/anvil/scratch/x-bwaters/jobs/jobs/d26d69de-0c28-4521-9b49-3c220d3b48b5-007/TE_493894422725_004-and-MO_820335782779_001-1751997122/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/d26d69de-0c28-4521-9b49-3c220d3b48b5-007/TE_493894422725_004-and-MO_820335782779_001-1751997122/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":21.42,"usertime":19.17,"systime":5.62,"memmax":269940,"memavg":0}