/anvil/scratch/x-bwaters/jobs/jobs/947c8486-4de1-440c-9a79-b20ec55e30c8-007/TE_508718593349_007-and-MO_961101070310_001-1751906314/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":2.35,"usertime":1.93,"systime":1.01,"memmax":114216,"memavg":0}