/scratch.global/bwaters/jobs/0591eff8-0d3a-42d6-95b0-d7f1a34eab02-007/TE_607611816448_007-and-MO_679329885632_006-1752095271/staged_job_files/repository/te/LatticeConstantCubicEnergy_sc_U__TE_607611816448_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.67,"usertime":1.00,"systime":0.56,"memmax":105180,"memavg":0}