/scratch.global/bwaters/jobs/dcf25482-2b71-472b-b759-7262f9e4af2f-007/TE_652085158810_007-and-MO_748534961139_006-1752093314/staged_job_files/repository/te/LatticeConstantCubicEnergy_fcc_Ti__TE_652085158810_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":3.63,"usertime":1.37,"systime":0.46,"memmax":115408,"memavg":0}