/anvil/scratch/x-bwaters/jobs/jobs/40f29cbd-9e52-4114-96cf-6e786334f42e-007/TE_938495550525_007-and-MO_679329885632_006-1752095277/staged_job_files/repository/te/LatticeConstantCubicEnergy_bcc_Xe__TE_938495550525_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner:122: FutureWarning: Please use atoms.calc = calc
  atoms.set_calculator(calc)
Traceback (most recent call last):
  File "/anvil/scratch/x-bwaters/jobs/jobs/40f29cbd-9e52-4114-96cf-6e786334f42e-007/TE_938495550525_007-and-MO_679329885632_006-1752095277/staged_job_files/repository/te/LatticeConstantCubicEnergy_bcc_Xe__TE_938495550525_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner", line 253, in <module>
    aopt, eopt, info = get_lattice_constant(
  File "/anvil/scratch/x-bwaters/jobs/jobs/40f29cbd-9e52-4114-96cf-6e786334f42e-007/TE_938495550525_007-and-MO_679329885632_006-1752095277/staged_job_files/repository/te/LatticeConstantCubicEnergy_bcc_Xe__TE_938495550525_007/../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner", line 229, in get_lattice_constant
    raise RuntimeError(
RuntimeError: Calculation converged to lattice constant (8.375) for which atoms have the same energy as in isolation. This may indicate the lattice is unstable.
Command exited with non-zero status 1

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