/scratch.global/bwaters/jobs/20504fee-6b96-4fa3-a8a5-e926fe122f0a-007/TE_484165392257_007-and-MO_411020944797_001-1751736883/staged_job_files/repository/te/LatticeConstantCubicEnergy_diamond_V__TE_484165392257_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.23,"usertime":1.56,"systime":0.94,"memmax":114884,"memavg":0}