/anvil/scratch/x-bwaters/jobs/jobs/f413bfc3-9fc1-4ad8-a163-53b579a3c706-007/TE_355871041504_007-and-MO_680820064987_001-1752095033/staged_job_files/repository/te/LatticeConstantCubicEnergy_bcc_Re__TE_355871041504_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.83,"usertime":1.03,"systime":0.38,"memmax":156256,"memavg":0}