/scratch/08773/bwaters/jobs/jobs/0fc49aa2-3127-4eca-92fb-e089b3a29a16-007/TE_048121835380_007-and-MO_330233188199_001-1755727807/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":5.24,"usertime":1.89,"systime":0.43,"memmax":133792,"memavg":0}