/anvil/scratch/x-bwaters/jobs/jobs/913f0094-9bd5-4b80-bdb7-34843dd2c599-007/TE_689904280697_004-and-MO_318213562153_001-1755850374/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc surf.set_calculator(calc) /anvil/scratch/x-bwaters/jobs/jobs/913f0094-9bd5-4b80-bdb7-34843dd2c599-007/TE_689904280697_004-and-MO_318213562153_001-1755850374/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_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":30.08,"usertime":10.54,"systime":4.25,"memmax":202384,"memavg":0}