/anvil/scratch/x-bwaters/jobs/jobs/aeb12a3a-cc28-4c27-95ec-642ffb9d481f-007/TE_749274401775_007-and-MO_786012902615_001-1752090912/staged_job_files/repository/te/LatticeConstantCubicEnergy_bcc_Pd__TE_749274401775_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":1.28,"usertime":1.68,"systime":0.78,"memmax":89696,"memavg":0}