/anvil/scratch/x-bwaters/jobs/jobs/9332e8ed-18aa-42b8-818d-0e3ea1f9ae7c-007/TE_440844375214_004-and-MO_426403318662_001-1753726247/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc
  surf.set_calculator(calc)
/anvil/scratch/x-bwaters/jobs/jobs/9332e8ed-18aa-42b8-818d-0e3ea1f9ae7c-007/TE_440844375214_004-and-MO_426403318662_001-1753726247/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_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":21.25,"usertime":10.67,"systime":10.19,"memmax":318068,"memavg":0}