/anvil/scratch/x-bwaters/jobs/jobs/700d2069-b85d-44c4-af30-aa03c039f6a1-007/TE_942132986685_007-and-MO_800536961967_004-1750958060/staged_job_files/repository/te/LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc) {"realtime":1.34,"usertime":1.96,"systime":1.27,"memmax":98744,"memavg":0}