/scratch.global/bwaters/jobs/153b292d-a121-4aa5-a6cc-cbd6a79254ca-007/TE_048121835380_007-and-MO_944449444863_001-1751983395/staged_job_files/repository/te/LatticeConstantCubicEnergy_bcc_V__TE_048121835380_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.93,"usertime":1.36,"systime":0.81,"memmax":115856,"memavg":0}