/scratch.global/bwaters/jobs/9a6df813-924e-4a08-a966-65b32bed23d1-007/TE_508718593349_007-and-MO_699137396381_006-1752094147/staged_job_files/repository/te/LatticeConstantCubicEnergy_diamond_Pb__TE_508718593349_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.25,"usertime":2.58,"systime":0.71,"memmax":95916,"memavg":0}