Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_003
Computed model cutoff of 8.31899999413643 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fe

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.553322219848636, total energy = -16.629628036154898

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.553322219848633, total energy = -16.629628036154873

Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.553322196006775, total energy = -16.62962803615483

Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5533222442027226, total energy = -16.62962803615487

Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5533222243189844, total energy = -16.62962803615495

Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.553322212025525, total energy = -16.629628036154905

Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5533222418278463, total energy = -16.629628036154884

Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.553322203923017, total energy = -16.62962803615488

Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.553322219848634, total energy = -16.62962803615488

Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.553322253166698, total energy = -16.629628036154855

Attempting to perform relaxation using initial lattice constant guess of a = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.553322219848633, total energy = -16.62962803615487

Attempting to perform relaxation using initial lattice constant guess of a = 2.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.5533222086727614, total energy = -16.62962803615487

Attempting to perform relaxation using initial lattice constant guess of a = 2.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.553322196006775, total energy = -16.629628036154823

Attempting to perform relaxation using initial lattice constant guess of a = 2.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5533222248777747, total energy = -16.62962803615486

Attempting to perform relaxation using initial lattice constant guess of a = 2.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.55332224369049, total energy = -16.629628036154852

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.553322196006775, total energy = -16.629628036154827

Attempting to perform relaxation using initial lattice constant guess of a = 3.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.553322224318981, total energy = -16.629628036154937

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5533222313970327, total energy = -16.629628036154855

Attempting to perform relaxation using initial lattice constant guess of a = 3.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5533222132362416, total energy = -16.62962803615491

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5533222248777734, total energy = -16.62962803615486

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5533222757279854, total energy = -16.629628036154827

Attempting to perform relaxation using initial lattice constant guess of a = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5533222409430865, total energy = -16.629628036154887

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.553322203923017, total energy = -16.629628036154887

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.553322232654315, total energy = -16.62962803615488

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5533222168683993, total energy = -16.629628036154877

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.553322232421489, total energy = -16.62962803615487

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5533222321886533, total energy = -16.629628036154894

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5533222216181457, total energy = -16.629628036154884

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.553322216391094, total energy = -16.629628036154852

Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.553322196006773, total energy = -16.62962803615482

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.553322208672763, total energy = -16.629628036154884

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.5533222120255186, total energy = -16.629628036154884

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.553322196006775, total energy = -16.629628036154823

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.553322243591533, total energy = -16.629628036154898

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.553322224877773, total energy = -16.62962803615486

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5533221907913703, total energy = -16.629628036154823

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5533222436904865, total energy = -16.629628036154855

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.5533222243539058, total energy = -16.629628036154887

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5533222472818977, total energy = -16.62962803615487

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.553322238859252, total energy = -16.629628036154873

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.5533222243189737, total energy = -16.629628036154905

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5533222392201393, total energy = -16.629628036154884

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5533222313970327, total energy = -16.62962803615485

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.553322275727985, total energy = -16.62962803615482

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.5533222132362354, total energy = -16.629628036154877

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.553322228544849, total energy = -16.62962803615487

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.55332222487777, total energy = -16.629628036154873

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5533222313970327, total energy = -16.629628036154855

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.553322240523992, total energy = -16.629628036154887

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.629628
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.5533222086727547, total energy = -16.629628036154855

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7250000000000156 Angstroms and c = -1.1839200423452283 Angstroms; the model cutoff was estimated to be 8.31899999413643 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7375000000000078 Angstroms and c = -1.2043324568684086 Angstroms; the model cutoff was estimated to be 8.31899999413643 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.75 Angstroms and c = -1.224744871391589 Angstroms; the model cutoff was estimated to be 8.31899999413643 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7624999999999922 Angstroms and c = -1.2451572859147695 Angstroms; the model cutoff was estimated to be 8.31899999413643 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 7.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7750000000000234 Angstroms and c = -1.2655697004380135 Angstroms; the model cutoff was estimated to be 8.31899999413643 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 7.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7875000000000156 Angstroms and c = -1.285982114961194 Angstroms; the model cutoff was estimated to be 8.31899999413643 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8000000000000078 Angstroms and c = -1.3063945294843744 Angstroms; the model cutoff was estimated to be 8.31899999413643 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8125 Angstroms and c = -1.3268069440075547 Angstroms; the model cutoff was estimated to be 8.31899999413643 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8249999999999922 Angstroms and c = -1.3472193585307353 Angstroms; the model cutoff was estimated to be 8.31899999413643 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8375000000000234 Angstroms and c = -1.3676317730539793 Angstroms; the model cutoff was estimated to be 8.31899999413643 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.55332222] Angstroms and c = 3.3356461858611635 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.629631
         Iterations: 77
         Function evaluations: 159
Results for this minimization:
  a = 2.5530588402424748, c = 4.170415796633845, total energy = -16.629630868699294

Attempting to perform relaxation using initial lattice constant guess of a = [2.55332222] Angstroms and c = 3.5441240724774863 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.629631
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.5530588638982046, c = 4.170415784258486, total energy = -16.629630868699316

Attempting to perform relaxation using initial lattice constant guess of a = [2.55332222] Angstroms and c = 3.752601959093809 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.629631
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.553058858641289, c = 4.17041570018875, total energy = -16.629630868699298

Attempting to perform relaxation using initial lattice constant guess of a = [2.55332222] Angstroms and c = 3.961079845710132 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.629631
         Iterations: 65
         Function evaluations: 141
Results for this minimization:
  a = 2.553058845414278, c = 4.170415744155352, total energy = -16.629630868699294

Attempting to perform relaxation using initial lattice constant guess of a = [2.55332222] Angstroms and c = 4.169557732326455 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.629631
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.5530588781325703, c = 4.170415743229227, total energy = -16.6296308686993

Attempting to perform relaxation using initial lattice constant guess of a = [2.55332222] Angstroms and c = 4.378035618942778 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.629631
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.5530588666934535, c = 4.170415776257766, total energy = -16.62963086869934

Attempting to perform relaxation using initial lattice constant guess of a = [2.55332222] Angstroms and c = 4.5865135055591 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.629631
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.553058890581621, c = 4.170415741305517, total energy = -16.62963086869927

Attempting to perform relaxation using initial lattice constant guess of a = [2.55332222] Angstroms and c = 4.794991392175423 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.629631
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.553058828104752, c = 4.17041578338584, total energy = -16.629630868699294

Attempting to perform relaxation using initial lattice constant guess of a = [2.55332222] Angstroms and c = 5.003469278791746 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.629631
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.553058875177421, c = 4.170415729921281, total energy = -16.629630868699316

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 Finished with optimization
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 Final lattice Constants:
   a = 2.5530588666934535 Angstroms, c = 4.170415776257766 Angstroms, c/a = 1.633498

 Total energy: -16.62963086869934 eV

 Cohesive energy: -4.157407717174835 eV/atom

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