/anvil/scratch/x-bwaters/jobs/jobs/1e4016bf-0a6a-46b9-ae4a-d740e60e337f-007/TE_508718593349_007-and-MO_870117231765_001-1751986188/staged_job_files/repository/te/LatticeConstantCubicEnergy_diamond_Pb__TE_508718593349_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":6.39,"usertime":4.81,"systime":1.28,"memmax":796292,"memavg":0}