/scratch.global/bwaters/jobs/96ff8349-63f5-44bc-a63d-61328abb3892-007/TE_259881166173_007-and-MO_993644691224_001-1751905638/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":2.11,"usertime":1.03,"systime":0.44,"memmax":91788,"memavg":0}