/scratch.global/bwaters/jobs/87a73cbd-a464-4523-8830-cf63583f7e25-007/TE_768298472381_007-and-MO_675947402254_000-1750715007/staged_job_files/repository/te/LatticeConstantCubicEnergy_diamond_Mn__TE_768298472381_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc
  atoms.set_calculator(calc)

{"realtime":19.33,"usertime":18.75,"systime":1.02,"memmax":139708,"memavg":0}