Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_ErcolessiAdams_1994_Al__MO_324507536345_002
Computed model cutoff of 5.558054412156353 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: -13.334088
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.8546448942273894, total energy = -13.3340876286227

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: -13.334088
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.854644914902747, total energy = -13.334087628622717

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: -13.334088
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.854644935578108, total energy = -13.33408762862276

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: -13.334088
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8546448647975993, total energy = -13.334087628622676

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: -13.334088
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8546449668705502, total energy = -13.334087628622719

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: -13.334088
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8546449534595033, total energy = -13.334087628622703

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: -13.334088
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.854644963145256, total energy = -13.334087628622742

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: -13.334088
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.854644935578108, total energy = -13.334087628622754

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: -13.334088
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8546449080109615, total energy = -13.334087628622726

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: -13.334088
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8546449652873003, total energy = -13.334087628622713

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: -13.334088
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8546449065208437, total energy = -13.334087628622688

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: -13.334088
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8546449226792894, total energy = -13.334087628622735

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: -13.334088
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.854644909268245, total energy = -13.334087628622692

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: -13.334088
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.8546449295710765, total energy = -13.3340876286227

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: -13.334088
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.854644962633029, total energy = -13.334087628622699

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: -13.334088
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.8546449617482725, total energy = -13.334087628622687

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: -13.334088
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8546449065208437, total energy = -13.334087628622685

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: -13.334088
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.854644935578108, total energy = -13.334087628622708

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: -13.334088
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.854644962842576, total energy = -13.334087628622694

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: -13.334088
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8546449052635574, total energy = -13.334087628622672

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: -13.334088
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.854644923866725, total energy = -13.334087628622687

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: -13.334088
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8546449179528266, total energy = -13.334087628622687

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: -13.334088
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.854644935578108, total energy = -13.334087628622704

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: -13.334088
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8546449354878822, total energy = -13.334087628622703

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: -13.334088
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8546449493616803, total energy = -13.334087628622692

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: -13.334088
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.854644922167064, total energy = -13.334087628622688

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: -13.334088
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8546449352055765, total energy = -13.334087628622676

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: -13.334088
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.854644927982008, total energy = -13.334087628622697

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: -13.334088
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8546449065208392, total energy = -13.334087628622667

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: -13.334088
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8546449095010744, total energy = -13.334087628622676

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: -13.334088
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8546449359506387, total energy = -13.334087628622703

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: -13.334088
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.854644946195182, total energy = -13.334087628622683

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: -13.334088
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.854644909268245, total energy = -13.334087628622683

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: -13.334088
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.854644924681629, total energy = -13.334087628622687

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: -13.334088
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8546449305489636, total energy = -13.334087628622676

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: -13.334088
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8546449400659206, total energy = -13.334087628622674

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: -13.334088
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.854644963145253, total energy = -13.334087628622676

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: -13.334088
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.854644912178628, total energy = -13.334087628622655

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.85464494] Angstroms and c = 3.7292925274594784 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.363945
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.81811681155114, c = 4.875526232094774, total energy = -13.363944991469792

Attempting to perform relaxation using initial lattice constant guess of a = [2.85464494] Angstroms and c = 3.9623733104256957 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.363945
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.8181168380036654, c = 4.875526208888086, total energy = -13.363944991469797

Attempting to perform relaxation using initial lattice constant guess of a = [2.85464494] Angstroms and c = 4.195454093391913 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.363945
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.818116801622369, c = 4.875526322679708, total energy = -13.363944991469799

Attempting to perform relaxation using initial lattice constant guess of a = [2.85464494] Angstroms and c = 4.42853487635813 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.363945
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.818116822559772, c = 4.875526340483596, total energy = -13.363944991469795

Attempting to perform relaxation using initial lattice constant guess of a = [2.85464494] Angstroms and c = 4.661615659324347 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.363945
         Iterations: 70
         Function evaluations: 144
Results for this minimization:
  a = 2.818116811485244, c = 4.8755263459763505, total energy = -13.363944991469802

Attempting to perform relaxation using initial lattice constant guess of a = [2.85464494] Angstroms and c = 4.894696442290565 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.363945
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.818116809411901, c = 4.875526358692023, total energy = -13.363944991469817

Attempting to perform relaxation using initial lattice constant guess of a = [2.85464494] Angstroms and c = 5.127777225256782 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.363945
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.818116790559033, c = 4.875526265966968, total energy = -13.363944991469795

Attempting to perform relaxation using initial lattice constant guess of a = [2.85464494] Angstroms and c = 5.3608580082229995 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.363945
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.818116793395186, c = 4.875526302413361, total energy = -13.363944991469799

Attempting to perform relaxation using initial lattice constant guess of a = [2.85464494] Angstroms and c = 5.593938791189217 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.363945
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.8181168025864762, c = 4.875526406267387, total energy = -13.3639449914698

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

 Final lattice Constants:
   a = 2.818116809411901 Angstroms, c = 4.875526358692023 Angstroms, c/a = 1.730065

 Total energy: -13.363944991469817 eV

 Cohesive energy: -3.340986247867454 eV/atom

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