Element = Lattice = Model = Element: Au
Lattice: hcp
Model: EAM_Dynamo_Ackland_1987_Au__MO_754413982908_001
Computed model cutoff of 4.994081611186287 Angstroms
Computed isolated atomic energy of 0.0 eV for species Au

==============================================================================
==============================================================================
 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: -15.119052
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.8918431345373428, total energy = -15.119051855951184

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: -15.119052
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.8918431287398563, total energy = -15.119051855951195

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: -15.119052
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.891843144199811, total energy = -15.11905185595118

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: -15.119052
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8918431148573354, total energy = -15.119051855951179

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: -15.119052
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8918431339785484, total energy = -15.119051855951202

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: -15.119052
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8918431188911216, total energy = -15.11905185595119

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: -15.119052
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8918431288795547, total energy = -15.119051855951197

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: -15.119052
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.891843128600158, total energy = -15.119051855951199

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: -15.119052
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.891843139659616, total energy = -15.119051855951195

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: -15.119052
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8918431341648114, total energy = -15.119051855951174

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: -15.119052
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8918431287398567, total energy = -15.119051855951207

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: -15.119052
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.89184312368743, total energy = -15.119051855951184

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: -15.119052
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.8918431291822344, total energy = -15.1190518559512

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: -15.119052
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.89184312839061, total energy = -15.119051855951188

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: -15.119052
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.8918431396363307, total energy = -15.119051855951199

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: -15.119052
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8918431498110295, total energy = -15.11905185595117

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: -15.119052
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.8918431130936364, total energy = -15.119051855951193

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: -15.119052
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.8918431187048554, total energy = -15.119051855951195

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: -15.119052
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.891843113442883, total energy = -15.119051855951186

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: -15.119052
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8918431343976407, total energy = -15.119051855951179

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: -15.119052
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8918431283906094, total energy = -15.119051855951197

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: -15.119052
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.891843124432488, total energy = -15.119051855951174

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: -15.119052
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8918431289494038, total energy = -15.11905185595119

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: -15.119052
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.891843128576873, total energy = -15.119051855951193

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: -15.119052
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8918431345373383, total energy = -15.119051855951186

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: -15.119052
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8918431327212613, total energy = -15.119051855951177

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: -15.119052
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8918431401019893, total energy = -15.11905185595119

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: -15.119052
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8918431075289845, total energy = -15.119051855951191

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 5.175000000000001, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.0875, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.225, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.11875, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.0, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 3.77788804351269 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 4.014006046232233 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 4.250124048951777 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 4.48624205167132 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 4.7223600543908635 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 4.9584780571104075 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 5.194596059829951 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 5.4307140625494945 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 5.666832065269038 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


==============================================================================
==============================================================================
 Finished with optimization
==============================================================================
==============================================================================

 Final lattice Constants:
   a = [2.89184313] Angstroms, c = [4.72236005] Angstroms, c/a = 1.632993

 Total energy: -15.119051855951207 eV

 Cohesive energy: -3.779762963987802 eV/atom

==============================================================================
==============================================================================