/anvil/scratch/x-bwaters/jobs/jobs/33bd55df-4af6-416f-a3f9-d4e8479da5fc-007/TE_041069419266_004-and-MO_961101070310_001-1751907826/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Pb__TE_041069419266_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc
  surf.set_calculator(calc)
/anvil/scratch/x-bwaters/jobs/jobs/33bd55df-4af6-416f-a3f9-d4e8479da5fc-007/TE_041069419266_004-and-MO_961101070310_001-1751907826/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Pb__TE_041069419266_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":13.38,"usertime":10.94,"systime":5.89,"memmax":238932,"memavg":0}