/scratch.global/bwaters/jobs/5285c401-d105-449e-9564-e2d16bd85167-007/TE_493894422725_004-and-MO_922363340570_001-1751989409/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)
/scratch.global/bwaters/jobs/5285c401-d105-449e-9564-e2d16bd85167-007/TE_493894422725_004-and-MO_922363340570_001-1751989409/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":29.43,"usertime":25.35,"systime":4.70,"memmax":237116,"memavg":0}