/anvil/scratch/x-bwaters/jobs/jobs/3090bba5-f525-4a2e-93dc-185d8d45ee95-007/TE_895467848279_007-and-MO_568033730744_001-1752181519/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":2.66,"usertime":1.35,"systime":0.63,"memmax":94588,"memavg":0}