/anvil/scratch/x-bwaters/jobs/jobs/faa48e4f-584d-437b-a210-4f4dc86e2367-007/TE_865925447546_004-and-MO_870117231765_001-1751989825/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Ta__TE_865925447546_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc
  surf.set_calculator(calc)
/anvil/scratch/x-bwaters/jobs/jobs/faa48e4f-584d-437b-a210-4f4dc86e2367-007/TE_865925447546_004-and-MO_870117231765_001-1751989825/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Ta__TE_865925447546_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":26.33,"usertime":23.40,"systime":5.81,"memmax":583716,"memavg":0}