/anvil/scratch/x-bwaters/jobs/jobs/ad656bbd-7b68-4147-8441-160a8fac0a64-007/VC_651200051721_002-and-MO_993644691224_001-1751905670/staged_job_files/repository/vc/SpeciesSupportedAsStated__VC_651200051721_002/runner:229: FutureWarning: Please use atoms.calc = calc
  atoms.set_calculator(calc)

{"realtime":2.29,"usertime":2.24,"systime":0.39,"memmax":104596,"memavg":0}