/anvil/scratch/x-bwaters/jobs/jobs/4bfcb8b0-eea4-407c-b584-0c2cb474e23e-007/TE_433456892179_007-and-MO_865505436319_001-1751987308/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":2.87,"usertime":1.16,"systime":0.44,"memmax":132152,"memavg":0}