/anvil/scratch/x-bwaters/jobs/jobs/ddb762bb-98aa-4cbf-8d12-d2143715d1c1-007/TE_895467848279_007-and-MO_645806019892_001-1752172494/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":1.84,"usertime":1.57,"systime":0.75,"memmax":164720,"memavg":0}