/scratch.global/bwaters/jobs/fd0d50a5-b285-4c23-ae39-ea90bbb2ef86-007/TE_259881166173_007-and-MO_786012902615_001-1752090917/staged_job_files/repository/te/LatticeConstantCubicEnergy_sc_Pd__TE_259881166173_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":1.87,"usertime":1.39,"systime":1.07,"memmax":88432,"memavg":0}