/anvil/scratch/x-bwaters/jobs/jobs/35c0ccb9-6b71-43f7-9a42-ed980cccdd64-007/TE_104905757100_007-and-MO_939388497041_000-1756423911/staged_job_files/repository/te/LatticeConstantCubicEnergy_fcc_Be__TE_104905757100_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":1.80,"usertime":3.61,"systime":1.01,"memmax":91748,"memavg":0}