/scratch/08773/bwaters/jobs/jobs/0fc49aa2-3127-4eca-92fb-e089b3a29a16-007/TE_391269283003_007-and-MO_330233188199_001-1755727816/staged_job_files/repository/te/LatticeConstantCubicEnergy_sc_V__TE_391269283003_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":3.90,"usertime":1.83,"systime":0.77,"memmax":136692,"memavg":0}