/anvil/scratch/x-bwaters/jobs/jobs/9b759bb5-334b-4f4b-91cd-6c0016ca3026-007/TE_431593503111_004-and-MO_657255834688_001-1752173529/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/9b759bb5-334b-4f4b-91cd-6c0016ca3026-007/TE_431593503111_004-and-MO_657255834688_001-1752173529/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":25.12,"usertime":17.57,"systime":5.28,"memmax":275776,"memavg":0}