/scratch.global/bwaters/jobs/87a73cbd-a464-4523-8830-cf63583f7e25-007/TE_201065028814_007-and-MO_675947402254_000-1750715090/staged_job_files/repository/te/LatticeConstantCubicEnergy_bcc_Al__TE_201065028814_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":19.39,"usertime":17.25,"systime":0.45,"memmax":137064,"memavg":0}