/anvil/scratch/x-bwaters/jobs/jobs/8e56a9fd-86ac-42fb-8a83-d65deef36b1b-007/TE_440844375214_004-and-MO_557267801129_001-1752185431/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc
  surf.set_calculator(calc)
/anvil/scratch/x-bwaters/jobs/jobs/8e56a9fd-86ac-42fb-8a83-d65deef36b1b-007/TE_440844375214_004-and-MO_557267801129_001-1752185431/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_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":13.35,"usertime":9.85,"systime":5.09,"memmax":216808,"memavg":0}