/anvil/scratch/x-bwaters/jobs/jobs/9a70d88a-bc30-4151-aae6-f60e813eeb6e-007/TE_942132986685_007-and-MO_820335782779_001-1751988487/staged_job_files/repository/te/LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.25,"usertime":1.28,"systime":0.77,"memmax":197876,"memavg":0}