/anvil/scratch/x-bwaters/jobs/jobs/e74f5a5f-6c3a-4b26-8c37-db6df29b57c1-007/TE_048121835380_007-and-MO_411020944797_001-1751736887/staged_job_files/repository/te/LatticeConstantCubicEnergy_bcc_V__TE_048121835380_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.57,"usertime":1.65,"systime":1.09,"memmax":113948,"memavg":0}