/scratch.global/bwaters/jobs/20504fee-6b96-4fa3-a8a5-e926fe122f0a-007/TE_163040983284_005-and-MO_411020944797_001-1751736887/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_V__TE_163040983284_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:181: FutureWarning: Please use atoms.calc = calc
  atoms.set_calculator(calc)
/scratch.global/bwaters/jobs/20504fee-6b96-4fa3-a8a5-e926fe122f0a-007/TE_163040983284_005-and-MO_411020944797_001-1751736887/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_V__TE_163040983284_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:334: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
  for init_guess_c in np.arange(
/scratch.global/bwaters/jobs/20504fee-6b96-4fa3-a8a5-e926fe122f0a-007/TE_163040983284_005-and-MO_411020944797_001-1751736887/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_V__TE_163040983284_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:134: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
  return math.sqrt(hrDist * hrDist + vDist * vDist)
/scratch.global/bwaters/jobs/20504fee-6b96-4fa3-a8a5-e926fe122f0a-007/TE_163040983284_005-and-MO_411020944797_001-1751736887/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_V__TE_163040983284_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:420: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
  float(minLatticeConstants[1] / minLatticeConstants[0]),
/scratch.global/bwaters/jobs/20504fee-6b96-4fa3-a8a5-e926fe122f0a-007/TE_163040983284_005-and-MO_411020944797_001-1751736887/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_V__TE_163040983284_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:429: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
  float(minLatticeConstants[0]),
/scratch.global/bwaters/jobs/20504fee-6b96-4fa3-a8a5-e926fe122f0a-007/TE_163040983284_005-and-MO_411020944797_001-1751736887/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_V__TE_163040983284_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:430: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
  float(minLatticeConstants[1]),

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