/anvil/scratch/x-bwaters/jobs/jobs/683155f7-4b32-45e7-9877-186279900c42-007/TE_440844375214_004-and-MO_355170963718_001-1755771852/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/683155f7-4b32-45e7-9877-186279900c42-007/TE_440844375214_004-and-MO_355170963718_001-1755771852/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":18.05,"usertime":8.84,"systime":6.34,"memmax":312320,"memavg":0}