/scratch.global/bwaters/jobs/263d360b-363d-413f-8786-f5d6fc3f2fe0-007/TE_188192567838_007-and-MO_870117231765_001-1751986219/staged_job_files/repository/te/LatticeConstantCubicEnergy_diamond_Ag__TE_188192567838_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":9.74,"usertime":8.16,"systime":1.40,"memmax":796284,"memavg":0}