/anvil/scratch/x-bwaters/jobs/jobs/40bc935d-2dd9-4ec7-810e-27fbc37f6785-007/TE_895467848279_007-and-MO_950828638160_001-1751906660/staged_job_files/repository/te/LatticeConstantCubicEnergy_diamond_Ta__TE_895467848279_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":1.93,"usertime":1.06,"systime":0.58,"memmax":101436,"memavg":0}