/anvil/scratch/x-bwaters/jobs/jobs/21b0ce06-68d7-435e-b5ce-cb781ccd8978-007/TE_617156996345_007-and-MO_138684956898_000-1753722705/staged_job_files/repository/te/LatticeConstantCubicEnergy_diamond_Re__TE_617156996345_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":2.56,"usertime":2.27,"systime":1.13,"memmax":164884,"memavg":0}