/scratch.global/bwaters/jobs/5d1fcb81-a12d-4430-aace-33b76de456b9-007/TE_433456892179_007-and-MO_532072268679_001-1751736773/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":2.97,"usertime":1.15,"systime":0.70,"memmax":138884,"memavg":0}