Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
Computed model cutoff of 7.286399921774879 Angstroms
Computed isolated atomic energy of 0.14309541392577432 eV for species Al

==============================================================================
==============================================================================
 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: -12.850898
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.8674346208572423, total energy = -12.850898167705353

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: -12.850898
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8674346180865533, total energy = -12.850898167705346

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: -12.850898
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8674346210900694, total energy = -12.850898167705338

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: -12.850898
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8674346265848794, total energy = -12.850898167705354

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: -12.850898
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8674346268177073, total energy = -12.850898167705346

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: -12.850898
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.867434643575691, total energy = -12.850898167705331

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: -12.850898
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8674346200423324, total energy = -12.85089816770534

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: -12.850898
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.867434635933023, total energy = -12.85089816770534

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: -12.850898
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.867434626817706, total energy = -12.850898167705349

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: -12.850898
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8674346103332953, total energy = -12.850898167705337

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: -12.850898
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.867434618034167, total energy = -12.850898167705335

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: -12.850898
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8674346309620873, total energy = -12.85089816770533

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: -12.850898
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8674346210900694, total energy = -12.850898167705335

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: -12.850898
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8674345916835593, total energy = -12.850898167705328

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: -12.850898
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.867434619669803, total energy = -12.850898167705335

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: -12.850898
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8674346163868902, total energy = -12.850898167705346

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: -12.850898
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.867434626817703, total energy = -12.850898167705353

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: -12.850898
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8674346196930856, total energy = -12.850898167705346

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: -12.850898
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.8674346633255476, total energy = -12.850898167705324

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: -12.850898
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8674346185056487, total energy = -12.850898167705337

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: -12.850898
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8674346206942563, total energy = -12.850898167705331

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: -12.850898
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.867434633150695, total energy = -12.850898167705326

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: -12.850898
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8674346305197105, total energy = -12.850898167705333

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: -12.850898
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8674346275394753, total energy = -12.850898167705349

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: -12.850898
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.867434626817702, total energy = -12.850898167705347

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: -12.850898
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.867434630170466, total energy = -12.850898167705331

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: -12.850898
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.867434615083037, total energy = -12.850898167705324

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: -12.850898
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8674346200423315, total energy = -12.850898167705335

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: -12.850898
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8674346463754734, total energy = -12.850898167705326

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: -12.850898
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8674346465617404, total energy = -12.850898167705337

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: -12.850898
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.867434605304153, total energy = -12.850898167705331

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: -12.850898
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8674346536397906, total energy = -12.850898167705337

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: -12.850898
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8674346171319485, total energy = -12.850898167705335

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: -12.850898
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.867434614570808, total energy = -12.850898167705349

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: -12.850898
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.867434592172502, total energy = -12.850898167705324

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: -12.850898
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8674346268177047, total energy = -12.85089816770534

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: -12.850898
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.867434626456813, total energy = -12.850898167705333

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: -12.850898
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.8674346374173183, total energy = -12.850898167705335

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: -12.850898
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8674346249550533, total energy = -12.850898167705337

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: -12.850898
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.867434619739649, total energy = -12.850898167705331

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: -12.850898
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.867434626817696, total energy = -12.850898167705337

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: -12.850898
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8674346235362425, total energy = -12.850898167705335

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: -12.850898
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8674346196930856, total energy = -12.850898167705346

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: -12.850898
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8674346409097757, total energy = -12.850898167705328

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: -12.850898
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8674346439540326, total energy = -12.85089816770533

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: -12.850898
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8674346060492018, total energy = -12.850898167705331

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: -12.850898
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.8674345958745064, total energy = -12.85089816770534

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: -12.850898
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.867434619765845, total energy = -12.850898167705342

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: -12.850898
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.867434618086553, total energy = -12.850898167705338

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: -12.850898
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8674346023180926, total energy = -12.850898167705333

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

Optimization terminated successfully.
         Current function value: -12.850898
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8674346437852276, total energy = -12.85089816770533

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

Optimization terminated successfully.
         Current function value: -12.850898
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 2.8674346037208984, total energy = -12.85089816770533

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86743463] Angstroms and c = 3.74600090982452 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.852727
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.883028863215694, c = 4.636216354974318, total energy = -12.852726696057651

Attempting to perform relaxation using initial lattice constant guess of a = [2.86743463] Angstroms and c = 3.9801259666885525 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.852727
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.8830288315464543, c = 4.636216536681861, total energy = -12.85272669605764

Attempting to perform relaxation using initial lattice constant guess of a = [2.86743463] Angstroms and c = 4.214251023552585 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.852727
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.883028859895755, c = 4.6362164054285095, total energy = -12.852726696057646

Attempting to perform relaxation using initial lattice constant guess of a = [2.86743463] Angstroms and c = 4.448376080416617 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.852727
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 2.883028847432128, c = 4.636216441904958, total energy = -12.852726696057646

Attempting to perform relaxation using initial lattice constant guess of a = [2.86743463] Angstroms and c = 4.682501137280649 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.852727
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.8830288227683574, c = 4.6362164678594615, total energy = -12.852726696057655

Attempting to perform relaxation using initial lattice constant guess of a = [2.86743463] Angstroms and c = 4.916626194144682 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.852727
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.883028839863421, c = 4.636216429743417, total energy = -12.852726696057648

Attempting to perform relaxation using initial lattice constant guess of a = [2.86743463] Angstroms and c = 5.150751251008714 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.852727
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.8830288342994828, c = 4.636216578305126, total energy = -12.852726696057632

Attempting to perform relaxation using initial lattice constant guess of a = [2.86743463] Angstroms and c = 5.384876307872746 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.852727
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.8830288326906865, c = 4.636216438461967, total energy = -12.852726696057653

Attempting to perform relaxation using initial lattice constant guess of a = [2.86743463] Angstroms and c = 5.6190013647367785 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.852727
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.8830288587047646, c = 4.636216408522452, total energy = -12.852726696057648

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

 Final lattice Constants:
   a = 2.8830288227683574 Angstroms, c = 4.6362164678594615 Angstroms, c/a = 1.608106

 Total energy: -12.852726696057655 eV

 Cohesive energy: -3.2131816740144137 eV/atom

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