/anvil/scratch/x-bwaters/jobs/jobs/3f08e587-1229-4aaf-970c-b0a388955278-007/TE_431593503111_004-and-MO_763197941039_001-1752097150/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Cr__TE_431593503111_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc
  surf.set_calculator(calc)
/anvil/scratch/x-bwaters/jobs/jobs/3f08e587-1229-4aaf-970c-b0a388955278-007/TE_431593503111_004-and-MO_763197941039_001-1752097150/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Cr__TE_431593503111_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":22.95,"usertime":19.94,"systime":7.19,"memmax":271648,"memavg":0}