/scratch.global/bwaters/jobs/10f19458-1325-4883-a8c7-f2d24ef219b8-007/TE_069649486058_004-and-MO_504158228467_001-1753725836/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ag__TE_069649486058_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc surf.set_calculator(calc) /scratch.global/bwaters/jobs/10f19458-1325-4883-a8c7-f2d24ef219b8-007/TE_069649486058_004-and-MO_504158228467_001-1753725836/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ag__TE_069649486058_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":9.20,"usertime":7.64,"systime":4.78,"memmax":220524,"memavg":0}