/anvil/scratch/x-bwaters/jobs/jobs/e4831bd8-1db4-4980-80f9-df00f61cac49-007/TE_725597583582_007-and-MO_559016907324_001-1752181954/staged_job_files/repository/te/LatticeConstantCubicEnergy_bcc_Au__TE_725597583582_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.69,"usertime":1.02,"systime":0.83,"memmax":89200,"memavg":0}