Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005
Computed model cutoff of 6.724884000010815 Angstroms
Computed isolated atomic energy of -0.00607941459516994 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: -13.296359
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.887179636134535, total energy = -13.296358935557247

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: -13.296359
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.887179674056824, total energy = -13.296358935557219

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: -13.296359
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.887179653160274, total energy = -13.296358935557206

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: -13.296359
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8871796250343342, total energy = -13.296358935557219

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: -13.296359
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8871796600404207, total energy = -13.296358935557238

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: -13.296359
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8871797012165192, total energy = -13.296358935557292

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: -13.296359
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8871796883642658, total energy = -13.29635893555722

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: -13.296359
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.887179688550532, total energy = -13.296358935557231

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: -13.296359
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.887179694510997, total energy = -13.296358935557217

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: -13.296359
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.887179681658745, total energy = -13.29635893555722

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: -13.296359
         Iterations: 32
         Function evaluations: 72
Results for this minimization:
  a = 2.887179641798139, total energy = -13.296358935557231

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: -13.296359
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8871796358376747, total energy = -13.2963589355572

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: -13.296359
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8871796879684553, total energy = -13.29635893555727

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: -13.296359
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8871796361345323, total energy = -13.296358935557247

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: -13.296359
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8871796878054727, total energy = -13.296358935557196

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: -13.296359
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8871796997264014, total energy = -13.296358935557203

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: -13.296359
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8871796809602515, total energy = -13.296358935557219

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: -13.296359
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8871796496678144, total energy = -13.296358935557214

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: -13.296359
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8871796306222652, total energy = -13.296358935557144

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: -13.296359
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.887179706711322, total energy = -13.296358935557185

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: -13.296359
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8871796816587465, total energy = -13.296358935557222

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: -13.296359
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8871796554885782, total energy = -13.296358935557215

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: -13.296359
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.887179699828266, total energy = -13.29635893555722

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: -13.296359
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8871796742896505, total energy = -13.296358935557251

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: -13.296359
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.887179699167607, total energy = -13.296358935557215

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: -13.296359
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8871796883642684, total energy = -13.296358935557263

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: -13.296359
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.887179703102444, total energy = -13.296358935557192

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))

Optimization terminated successfully.
         Current function value: -13.296359
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.887179656606163, total energy = -13.296358935557219

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: -13.296359
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.887179666885639, total energy = -13.296358935557251

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: -13.296359
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.887179656326772, total energy = -13.296358935557265

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: -13.296359
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8871796816587416, total energy = -13.296358935557224

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: -13.296359
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8871796810999513, total energy = -13.296358935557226

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: -13.296359
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.887179650366301, total energy = -13.296358935557214

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: -13.296359
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8871796468156377, total energy = -13.296358935557201

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: -13.296359
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 2.8871797353029183, total energy = -13.296358935557146

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: -13.296359
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.887179699726399, total energy = -13.296358935557205

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: -13.296359
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8871796879684553, total energy = -13.296358935557228

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: -13.296359
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8871796585561222, total energy = -13.296358935557203

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: -13.296359
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.887179636361537, total energy = -13.296358935557205

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: -13.296359
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8871797009371143, total energy = -13.296358935557178

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: -13.296359
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.8871796972351107, total energy = -13.296358935557192

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.8871797] Angstroms and c = 3.771795767307555 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.329405
         Iterations: 71
         Function evaluations: 159
Results for this minimization:
  a = 2.8357436090295525, c = 4.898302883501363, total energy = -13.329404593698248

Attempting to perform relaxation using initial lattice constant guess of a = [2.8871797] Angstroms and c = 4.007533002764277 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.329405
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.8357436740188993, c = 4.898302783954522, total energy = -13.32940459369822

Attempting to perform relaxation using initial lattice constant guess of a = [2.8871797] Angstroms and c = 4.243270238220999 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.329405
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.8357435858895323, c = 4.8983027836148825, total energy = -13.32940459369826

Attempting to perform relaxation using initial lattice constant guess of a = [2.8871797] Angstroms and c = 4.479007473677722 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.329405
         Iterations: 64
         Function evaluations: 145
Results for this minimization:
  a = 2.8357436326035677, c = 4.898302805317731, total energy = -13.32940459369826

Attempting to perform relaxation using initial lattice constant guess of a = [2.8871797] Angstroms and c = 4.714744709134445 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.329405
         Iterations: 63
         Function evaluations: 143
Results for this minimization:
  a = 2.8357436016031627, c = 4.898302739342645, total energy = -13.329404593698232

Attempting to perform relaxation using initial lattice constant guess of a = [2.8871797] Angstroms and c = 4.950481944591167 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.329405
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.8357435813262413, c = 4.898302882167377, total energy = -13.329404593698282

Attempting to perform relaxation using initial lattice constant guess of a = [2.8871797] Angstroms and c = 5.186219180047889 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.329405
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 2.835743603206687, c = 4.898302698151312, total energy = -13.329404593698229

Attempting to perform relaxation using initial lattice constant guess of a = [2.8871797] Angstroms and c = 5.421956415504612 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.329405
         Iterations: 72
         Function evaluations: 160
Results for this minimization:
  a = 2.83574361787482, c = 4.89830278604431, total energy = -13.32940459369828

Attempting to perform relaxation using initial lattice constant guess of a = [2.8871797] Angstroms and c = 5.657693650961335 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.329405
         Iterations: 71
         Function evaluations: 160
Results for this minimization:
  a = 2.835743606845946, c = 4.898302961327083, total energy = -13.329404593698255

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

 Final lattice Constants:
   a = 2.8357435813262413 Angstroms, c = 4.898302882167377 Angstroms, c/a = 1.727343

 Total energy: -13.329404593698282 eV

 Cohesive energy: -3.3323511484245705 eV/atom

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