/scratch.global/bwaters/jobs/4b0fdba2-87ff-4df5-a4e3-ce1beb0c73a0-007/TE_156715955670_007-and-MO_800509458712_003-1750889959/staged_job_files/repository/te/LatticeConstantCubicEnergy_fcc_Al__TE_156715955670_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.45,"usertime":0.88,"systime":0.40,"memmax":88956,"memavg":0}