/scratch.global/bwaters/jobs/08032e2c-43dc-426f-b460-ea0ff2a95513-007/TE_689904280697_004-and-MO_266134052596_001-1755852662/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) /scratch.global/bwaters/jobs/08032e2c-43dc-426f-b460-ea0ff2a95513-007/TE_689904280697_004-and-MO_266134052596_001-1755852662/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":17.18,"usertime":14.15,"systime":2.84,"memmax":176452,"memavg":0}