/anvil/scratch/x-bwaters/jobs/jobs/29eda46d-4513-4c4e-947a-85b2daaa931b-007/TE_493894422725_004-and-MO_677715648236_001-1752100391/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/29eda46d-4513-4c4e-947a-85b2daaa931b-007/TE_493894422725_004-and-MO_677715648236_001-1752100391/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":23.21,"usertime":18.40,"systime":8.97,"memmax":241276,"memavg":0}