/anvil/scratch/x-bwaters/jobs/jobs/3e50fe1e-c0cc-476c-bf17-1d6671e70761-007/TE_129979632673_007-and-MO_723456820410_006-1752093505/staged_job_files/repository/te/LatticeConstantCubicEnergy_sc_Ti__TE_129979632673_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.53,"usertime":0.82,"systime":0.25,"memmax":97688,"memavg":0}