/scratch.global/bwaters/jobs/105ece7a-1131-4eb7-ae55-6e77f8b3e0f8-007/TE_547110175880_007-and-MO_894868634445_001-1751984927/staged_job_files/repository/te/LatticeConstantCubicEnergy_diamond_Mg__TE_547110175880_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc
  atoms.set_calculator(calc)

{"realtime":1.99,"usertime":1.08,"systime":0.37,"memmax":94636,"memavg":0}