/anvil/scratch/x-bwaters/jobs/jobs/e4831bd8-1db4-4980-80f9-df00f61cac49-007/VC_710586816390_003-and-MO_559016907324_001-1752182006/staged_job_files/repository/vc/ForcesNumerDeriv__VC_710586816390_003/runner:395: FutureWarning: Please use atoms.calc = calc
  atoms.set_calculator(calc)
/anvil/scratch/x-bwaters/jobs/jobs/e4831bd8-1db4-4980-80f9-df00f61cac49-007/VC_710586816390_003-and-MO_559016907324_001-1752182006/staged_job_files/repository/vc/ForcesNumerDeriv__VC_710586816390_003/runner:441: FutureWarning: Please use atoms.calc = calc
  atoms.set_calculator(calc)

{"realtime":6.98,"usertime":5.95,"systime":0.81,"memmax":99660,"memavg":0}