/anvil/scratch/x-bwaters/jobs/jobs/be734790-37cf-475c-93e3-ccf78325c93a-007/TE_493894422725_004-and-MO_737567242631_001-1750964124/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/be734790-37cf-475c-93e3-ccf78325c93a-007/TE_493894422725_004-and-MO_737567242631_001-1750964124/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":39.13,"usertime":7.04,"systime":4.34,"memmax":215664,"memavg":0}