/anvil/scratch/x-bwaters/jobs/jobs/7139c22c-ce2c-4ed7-91b5-86e1df5eddc5-007/TE_829236286581_004-and-MO_411020944797_001-1751737841/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_bcc_V__TE_829236286581_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc
  surf.set_calculator(calc)
/anvil/scratch/x-bwaters/jobs/jobs/7139c22c-ce2c-4ed7-91b5-86e1df5eddc5-007/TE_829236286581_004-and-MO_411020944797_001-1751737841/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_bcc_V__TE_829236286581_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":7.55,"usertime":5.80,"systime":5.49,"memmax":221272,"memavg":0}