/anvil/scratch/x-bwaters/jobs/jobs/e4831bd8-1db4-4980-80f9-df00f61cac49-007/TE_871491775328_007-and-MO_559016907324_001-1752181952/staged_job_files/repository/te/LatticeConstantCubicEnergy_diamond_Au__TE_871491775328_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.73,"usertime":1.01,"systime":0.52,"memmax":89540,"memavg":0}