/anvil/scratch/x-bwaters/jobs/jobs/14dd7fdb-c150-4634-baa4-44179e723a04-007/TE_942132986685_007-and-MO_593762436933_001-1752180141/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":2.26,"usertime":1.55,"systime":0.26,"memmax":97404,"memavg":0}