/anvil/scratch/x-bwaters/jobs/jobs/38e1114e-4864-4f21-8332-a1f132ead920-007/TE_942132986685_007-and-MO_832600236922_006-1751987732/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":1.83,"usertime":1.17,"systime":0.68,"memmax":111468,"memavg":0}