/scratch.global/bwaters/jobs/cb58bfbc-0a09-4593-945d-eb98d34489ba-007/TE_431593503111_004-and-MO_675947402254_000-1750716051/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)
/scratch.global/bwaters/jobs/cb58bfbc-0a09-4593-945d-eb98d34489ba-007/TE_431593503111_004-and-MO_675947402254_000-1750716051/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":79.17,"usertime":76.72,"systime":6.75,"memmax":201444,"memavg":0}