/anvil/scratch/x-bwaters/jobs/jobs/3e50fe1e-c0cc-476c-bf17-1d6671e70761-007/TE_302148205183_007-and-MO_723456820410_006-1752093501/staged_job_files/repository/te/LatticeConstantCubicEnergy_diamond_Ti__TE_302148205183_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":3.32,"usertime":0.97,"systime":0.22,"memmax":98600,"memavg":0}