/scratch.global/bwaters/jobs/96ff8349-63f5-44bc-a63d-61328abb3892-007/TE_749274401775_007-and-MO_993644691224_001-1751905634/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":2.22,"usertime":0.70,"systime":0.30,"memmax":91696,"memavg":0}