/scratch/08773/bwaters/jobs/jobs/1356b79d-fee5-4159-8d7b-874dd6703771-007/TE_104905757100_007-and-MO_404563086984_001-1753725152/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":3.80,"usertime":1.76,"systime":0.29,"memmax":139856,"memavg":0}