/scratch.global/bwaters/jobs/4b0fdba2-87ff-4df5-a4e3-ce1beb0c73a0-007/TE_586085652256_007-and-MO_800509458712_003-1750889957/staged_job_files/repository/te/LatticeConstantCubicEnergy_diamond_Al__TE_586085652256_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.95,"usertime":0.75,"systime":0.29,"memmax":91532,"memavg":0}