Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000
Computed model cutoff of 5.584739099144944 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 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 = 1.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 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 = 1.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 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 = 1.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 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 = 1.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -13.333477
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8589318685233613, total energy = -13.33347749487457

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: -13.333477
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8589318290352823, total energy = -13.333477494874566

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: -13.333477
         Iterations: 36
         Function evaluations: 81
Results for this minimization:
  a = 2.8589318096637726, total energy = -13.333477494874574

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: -13.333477
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.858931872248653, total energy = -13.333477494874602

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: -13.333477
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8589319031685596, total energy = -13.333477494874595

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: -13.333477
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.858931881084573, total energy = -13.33347749487459

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: -13.333477
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8589318429294504, total energy = -13.333477494874588

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: -13.333477
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8589318990707397, total energy = -13.333477494874538

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: -13.333477
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.8589318892569286, total energy = -13.333477494874549

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: -13.333477
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8589318722486503, total energy = -13.333477494874591

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: -13.333477
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.8589319095015524, total energy = -13.33347749487456

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: -13.333477
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.85893187224865, total energy = -13.33347749487458

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: -13.333477
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8589318264857866, total energy = -13.333477494874566

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: -13.333477
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8589318491518494, total energy = -13.333477494874591

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: -13.333477
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8589318536338384, total energy = -13.333477494874561

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: -13.333477
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8589318758924485, total energy = -13.333477494874584

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: -13.333477
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8589319176273404, total energy = -13.333477494874554

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: -13.333477
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8589318320155144, total energy = -13.333477494874542

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: -13.333477
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8589319095015497, total energy = -13.333477494874561

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: -13.333477
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.858931893110275, total energy = -13.33347749487457

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: -13.333477
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8589318722486508, total energy = -13.333477494874591

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: -13.333477
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.858931859629226, total energy = -13.333477494874547

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: -13.333477
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8589318508747965, total energy = -13.333477494874582

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: -13.333477
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.858931881084568, total energy = -13.33347749487456

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: -13.333477
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.858931849151849, total energy = -13.333477494874604

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: -13.333477
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8589318357961035, total energy = -13.333477494874588

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: -13.333477
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.85893191695213, total energy = -13.33347749487456

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 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 = 5.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.125 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 = 5.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -13.333477
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8589318813115803, total energy = -13.333477494874556

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: -13.333477
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.858931857708378, total energy = -13.333477494874584

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: -13.333477
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8589318535523454, total energy = -13.333477494874579

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: -13.333477
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8589318797094165, total energy = -13.333477494874577

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.85893185] Angstroms and c = 3.734892927900586 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.367978
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.817309203999585, c = 4.880971182396694, total energy = -13.3679775065423

Attempting to perform relaxation using initial lattice constant guess of a = [2.85893185] Angstroms and c = 3.968323735894373 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.367978
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 2.8173092214354307, c = 4.880971132729371, total energy = -13.367977506542308

Attempting to perform relaxation using initial lattice constant guess of a = [2.85893185] Angstroms and c = 4.20175454388816 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.367978
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.8173092248455616, c = 4.880971120371681, total energy = -13.367977506542305

Attempting to perform relaxation using initial lattice constant guess of a = [2.85893185] Angstroms and c = 4.435185351881946 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.367978
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.817309181062617, c = 4.880971183928823, total energy = -13.367977506542298

Attempting to perform relaxation using initial lattice constant guess of a = [2.85893185] Angstroms and c = 4.668616159875733 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.367978
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.8173091771112846, c = 4.880971269181318, total energy = -13.36797750654228

Attempting to perform relaxation using initial lattice constant guess of a = [2.85893185] Angstroms and c = 4.90204696786952 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.367978
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.81730922611732, c = 4.880971153610508, total energy = -13.367977506542305

Attempting to perform relaxation using initial lattice constant guess of a = [2.85893185] Angstroms and c = 5.135477775863307 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.367978
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.817309210174744, c = 4.880971234022688, total energy = -13.367977506542294

Attempting to perform relaxation using initial lattice constant guess of a = [2.85893185] Angstroms and c = 5.368908583857094 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.367978
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 2.8173091920905007, c = 4.880971151193654, total energy = -13.367977506542298

Attempting to perform relaxation using initial lattice constant guess of a = [2.85893185] Angstroms and c = 5.60233939185088 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.367978
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 2.8173092017005468, c = 4.880971198168168, total energy = -13.367977506542292

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

 Final lattice Constants:
   a = 2.8173092214354307 Angstroms, c = 4.880971132729371 Angstroms, c/a = 1.732494

 Total energy: -13.367977506542308 eV

 Cohesive energy: -3.341994376635577 eV/atom

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