Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005
Computed model cutoff of 6.361793148219619 Angstroms
Computed isolated atomic energy of -0.03073426310514721 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))

Optimization terminated successfully.
         Current function value: -10.336908
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.845347029529514, total energy = -10.336908120098425

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: -10.336908
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8453470532316736, total energy = -10.336908120098382

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: -10.336908
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.845347060367931, total energy = -10.336908120098347

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: -10.336908
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.845347054186277, total energy = -10.336908120098382

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: -10.336908
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8453470705077075, total energy = -10.336908120098366

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: -10.336908
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.845347106456758, total energy = -10.336908120098325

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: -10.336908
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8453470306470985, total energy = -10.336908120098418

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: -10.336908
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8453470313455895, total energy = -10.336908120098409

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: -10.336908
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8453470170497894, total energy = -10.336908120098318

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: -10.336908
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.845346965268255, total energy = -10.3369081200983

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: -10.336908
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.8453470551408833, total energy = -10.33690812009838

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: -10.336908
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8453470796346663, total energy = -10.336908120098315

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: -10.336908
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8453470330219712, total energy = -10.336908120098366

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: -10.336908
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8453470347449183, total energy = -10.336908120098384

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: -10.336908
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.845347059890627, total energy = -10.336908120098345

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: -10.336908
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.845347029285039, total energy = -10.336908120098371

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: -10.336908
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.845347039832267, total energy = -10.336908120098384

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: -10.336908
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8453470495442152, total energy = -10.33690812009837

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: -10.336908
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.845347053487785, total energy = -10.336908120098371

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: -10.336908
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8453471109271016, total energy = -10.33690812009832

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: -10.336908
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.845347041264175, total energy = -10.336908120098336

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: -10.336908
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8453470571897927, total energy = -10.336908120098357

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: -10.336908
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8453471064567544, total energy = -10.336908120098327

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: -10.336908
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8453470568638295, total energy = -10.336908120098334

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: -10.336908
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.845347030647094, total energy = -10.336908120098387

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: -10.336908
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8453470336477027, total energy = -10.336908120098373

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: -10.336908
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8453470313455917, total energy = -10.336908120098379

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: -10.336908
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8453470429405536, total energy = -10.33690812009836

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: -10.336908
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8453471064567566, total energy = -10.33690812009831

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: -10.336908
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.8453469932079267, total energy = -10.336908120098316

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: -10.336908
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8453469799365836, total energy = -10.33690812009833

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: -10.336908
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8453470796346676, total energy = -10.336908120098304

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: 0.000000
         Iterations: 36
         Function evaluations: 104
Results for this minimization:
  a = 6.875000000000005, total energy = 0.0

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 6.46875, total energy = 0.0

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 6.612500000000001, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 6.4625, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 6.600000000000001, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.43125, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.5625, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 6.375, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.84534703] Angstroms and c = 3.7171457938619357 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.340535
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.825152923575973, c = 4.747913008812848, total energy = -10.340535364967296

Attempting to perform relaxation using initial lattice constant guess of a = [2.84534703] Angstroms and c = 3.949467405978307 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.340535
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.8251529170892717, c = 4.747912974777124, total energy = -10.340535364967277

Attempting to perform relaxation using initial lattice constant guess of a = [2.84534703] Angstroms and c = 4.181789018094678 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.340535
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.825152940340342, c = 4.747913051361205, total energy = -10.340535364967282

Attempting to perform relaxation using initial lattice constant guess of a = [2.84534703] Angstroms and c = 4.414110630211049 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.340535
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.8251529273791425, c = 4.7479130077499985, total energy = -10.340535364967284

Attempting to perform relaxation using initial lattice constant guess of a = [2.84534703] Angstroms and c = 4.64643224232742 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.340535
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.825152877702867, c = 4.747913265554792, total energy = -10.340535364967304

Attempting to perform relaxation using initial lattice constant guess of a = [2.84534703] Angstroms and c = 4.878753854443792 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.340535
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.8251529694097135, c = 4.747913123790537, total energy = -10.34053536496728

Attempting to perform relaxation using initial lattice constant guess of a = [2.84534703] Angstroms and c = 5.1110754665601625 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.340535
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 2.8251529748640873, c = 4.747912619969375, total energy = -10.340535364967252

Attempting to perform relaxation using initial lattice constant guess of a = [2.84534703] Angstroms and c = 5.343397078676533 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.340535
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.8251529397961193, c = 4.747913072480446, total energy = -10.340535364967314

Attempting to perform relaxation using initial lattice constant guess of a = [2.84534703] Angstroms and c = 5.575718690792905 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.340535
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 2.8251529119535093, c = 4.747912935579237, total energy = -10.340535364967282

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

 Final lattice Constants:
   a = 2.8251529397961193 Angstroms, c = 4.747913072480446 Angstroms, c/a = 1.680586

 Total energy: -10.340535364967314 eV

 Cohesive energy: -2.5851338412418285 eV/atom

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