Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
Computed model cutoff of 7.19999998800458 Angstroms
Computed isolated atomic energy of 0.0 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: -14.820974
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9214599817991296, total energy = -14.820973887833931

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: -14.820974
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9214599937200543, total energy = -14.820973887833931

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: -14.820974
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.921459972858429, total energy = -14.82097388783393

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: -14.820974
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9214599810540736, total energy = -14.820973887833919

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: -14.820974
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9214599847793608, total energy = -14.820973887833926

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: -14.820974
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9214599731611104, total energy = -14.820973887833933

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: -14.820974
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.921459993720056, total energy = -14.820973887833926

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: -14.820974
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.921460014185868, total energy = -14.8209738878339

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: -14.820974
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9214599847793603, total energy = -14.820973887833931

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: -14.820974
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9214599599479723, total energy = -14.820973887833937

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: -14.820974
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9214599668979653, total energy = -14.820973887833922

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: -14.820974
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.921459999552461, total energy = -14.82097388783392

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: -14.820974
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.921459972858429, total energy = -14.820973887833912

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: -14.820974
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.921459993720055, total energy = -14.820973887833917

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: -14.820974
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9214599687606095, total energy = -14.820973887833935

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: -14.820974
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9214599628467113, total energy = -14.820973887833931

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: -14.820974
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.921459966828115, total energy = -14.820973887833924

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: -14.820974
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9214599705301225, total energy = -14.820973887833944

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: -14.820974
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.921459974674508, total energy = -14.82097388783393

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: -14.820974
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9214599912054835, total energy = -14.820973887833928

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: -14.820974
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.921459993720055, total energy = -14.820973887833913

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: -14.820974
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9214600006816895, total energy = -14.820973887833905

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: -14.820974
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.921459954115562, total energy = -14.820973887833922

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: -14.820974
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.921459964296079, total energy = -14.820973887833922

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: -14.820974
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.921459967643022, total energy = -14.820973887833922

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: -14.820974
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.921459976956249, total energy = -14.820973887833917

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: -14.820974
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9214599876548135, total energy = -14.82097388783391

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: -14.820974
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.921459979377687, total energy = -14.820973887833933

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: -14.820974
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9214599666884133, total energy = -14.82097388783391

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: -14.820974
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.921459971094735, total energy = -14.820973887833922

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: -14.820974
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9214599738945255, total energy = -14.820973887833922

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: -14.820974
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9214599525788776, total energy = -14.820973887833906

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: -14.820974
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.921459972858429, total energy = -14.820973887833901

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: -14.820974
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.921459950809362, total energy = -14.820973887833901

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: -14.820974
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9214599604718368, total energy = -14.820973887833905

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: -14.820974
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9214599941566135, total energy = -14.820973887833897

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: -14.820974
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9214599728584245, total energy = -14.820973887833908

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: -14.820974
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9214599913102575, total energy = -14.8209738878339

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: -14.820974
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9214599632483393, total energy = -14.820973887833908

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: -14.820974
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9214599629864075, total energy = -14.820973887833912

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: -14.820974
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9214599478989767, total energy = -14.820973887833892

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: -14.820974
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.921459980274081, total energy = -14.820973887833905

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: -14.820974
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.921459982098895, total energy = -14.82097388783391

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: -14.820974
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9214599878527197, total energy = -14.820973887833905

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: -14.820974
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9214599825441776, total energy = -14.820973887833905

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: -14.820974
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9214599866740087, total energy = -14.820973887833892

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: -14.820974
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.921459973603483, total energy = -14.82097388783391

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: -14.820974
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.921459982462693, total energy = -14.820973887833896

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: -14.820974
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9214599898084987, total energy = -14.820973887833906

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: -14.820974
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9214599756640323, total energy = -14.820973887833905

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: -14.820974
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9214599748549435, total energy = -14.820973887833915

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.92145997] Angstroms and c = 3.8165793236080967 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.820997
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.9229522919188606, c = 4.765849422503369, total energy = -14.820997378931722

Attempting to perform relaxation using initial lattice constant guess of a = [2.92145997] Angstroms and c = 4.055115531333603 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.820997
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.9229522932161838, c = 4.765849390630767, total energy = -14.82099737893173

Attempting to perform relaxation using initial lattice constant guess of a = [2.92145997] Angstroms and c = 4.293651739059109 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.820997
         Iterations: 68
         Function evaluations: 141
Results for this minimization:
  a = 2.922952301012909, c = 4.765849305545721, total energy = -14.82099737893172

Attempting to perform relaxation using initial lattice constant guess of a = [2.92145997] Angstroms and c = 4.532187946784615 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.820997
         Iterations: 64
         Function evaluations: 138
Results for this minimization:
  a = 2.922952314487836, c = 4.765849357813879, total energy = -14.820997378931734

Attempting to perform relaxation using initial lattice constant guess of a = [2.92145997] Angstroms and c = 4.770724154510121 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.820997
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.922952325036819, c = 4.765849291828119, total energy = -14.820997378931722

Attempting to perform relaxation using initial lattice constant guess of a = [2.92145997] Angstroms and c = 5.009260362235627 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.820997
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.9229523486573767, c = 4.765849282083275, total energy = -14.82099737893172

Attempting to perform relaxation using initial lattice constant guess of a = [2.92145997] Angstroms and c = 5.247796569961133 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.820997
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 2.9229523099258286, c = 4.765849431110142, total energy = -14.820997378931727

Attempting to perform relaxation using initial lattice constant guess of a = [2.92145997] Angstroms and c = 5.486332777686639 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.820997
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.922952290270501, c = 4.765849325571226, total energy = -14.820997378931718

Attempting to perform relaxation using initial lattice constant guess of a = [2.92145997] Angstroms and c = 5.724868985412145 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.820997
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.9229523229709526, c = 4.765849414442728, total energy = -14.820997378931736

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

 Final lattice Constants:
   a = 2.9229523229709526 Angstroms, c = 4.765849414442728 Angstroms, c/a = 1.630492

 Total energy: -14.820997378931736 eV

 Cohesive energy: -3.705249344732934 eV/atom

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