/scratch.global/bwaters/jobs/153b292d-a121-4aa5-a6cc-cbd6a79254ca-007/TE_547378225948_007-and-MO_944449444863_001-1751983400/staged_job_files/repository/te/LatticeConstantCubicEnergy_fcc_V__TE_547378225948_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.70,"usertime":1.29,"systime":0.46,"memmax":105764,"memavg":0}