/scratch.global/bwaters/jobs/d266e077-c037-4c49-8158-6a5b0fb697c9-007/TE_433456892179_007-and-MO_870117231765_001-1751986103/staged_job_files/repository/te/LatticeConstantCubicEnergy_diamond_Pd__TE_433456892179_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":9.16,"usertime":8.30,"systime":1.25,"memmax":797936,"memavg":0}