Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000
Computed model cutoff of 6.293661889620162 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))

Optimization terminated successfully.
         Current function value: -13.302315
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.872819751501086, total energy = -13.302314543392196

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: -13.302315
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.872819790430369, total energy = -13.302314543392194

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: -13.302315
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.872819758765399, total energy = -13.302314543392198

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: -13.302315
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.8728197521995753, total energy = -13.302314543392193

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: -13.302315
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8728197876364017, total energy = -13.302314543392209

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: -13.302315
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.872819727286698, total energy = -13.302314543392182

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: -13.302315
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8728197559714324, total energy = -13.302314543392198

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: -13.302315
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.872819779813289, total energy = -13.302314543392207

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: -13.302315
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8728197664022446, total energy = -13.302314543392189

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: -13.302315
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.8728197834570888, total energy = -13.302314543392187

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: -13.302315
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.872819749219344, total energy = -13.302314543392164

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: -13.302315
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.8728197483345865, total energy = -13.30231454339223

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: -13.302315
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.872819805145263, total energy = -13.302314543392185

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: -13.302315
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.872819732874632, total energy = -13.302314543392178

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: -13.302315
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.872819768637419, total energy = -13.302314543392194

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: -13.302315
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8728197221294978, total energy = -13.302314543392184

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: -13.302315
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8728197581134722, total energy = -13.302314543392189

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: -13.302315
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.872819756064562, total energy = -13.302314543392189

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: -13.302315
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8728197521995753, total energy = -13.30231454339217

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: -13.302315
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.872819749638435, total energy = -13.302314543392157

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: -13.302315
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.872819793224334, total energy = -13.302314543392168

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: -13.302315
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8728197663789627, total energy = -13.302314543392178

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: -13.302315
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.872819739952682, total energy = -13.302314543392182

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: -13.302315
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.872819767566398, total energy = -13.302314543392166

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: -13.302315
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.872819756180975, total energy = -13.302314543392187

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: -13.302315
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8728197933407493, total energy = -13.30231454339215

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: -13.302315
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8728197798132915, total energy = -13.302314543392198

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: -13.302315
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8728198055643563, total energy = -13.302314543392166

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: -13.302315
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.872819751559291, total energy = -13.302314543392171

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: -13.302315
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.8728197798132853, total energy = -13.302314543392194

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: -13.302315
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8728197665885062, total energy = -13.302314543392193

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: -13.302315
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8728197455406206, total energy = -13.30231454339219

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: -13.302315
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.872819733852517, total energy = -13.302314543392168

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: -13.302315
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8728197456512135, total energy = -13.30231454339218

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: -13.302315
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.872819748334581, total energy = -13.302314543392212

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: -13.302315
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.872819751128553, total energy = -13.302314543392203

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: -13.302315
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.872819805145256, total energy = -13.30231454339216

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: -13.302315
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8728197497810433, total energy = -13.30231454339217

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: -13.302315
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.872819732874632, total energy = -13.302314543392177

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: -13.302315
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.872819778445407, total energy = -13.302314543392166

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.87281975] Angstroms and c = 3.7530360034189445 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.8191118492739897, c = 4.94448341817949, total energy = -13.32885495059257

Attempting to perform relaxation using initial lattice constant guess of a = [2.87281975] Angstroms and c = 3.9876007536326283 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.8191118741608037, c = 4.944483375542045, total energy = -13.328854950592563

Attempting to perform relaxation using initial lattice constant guess of a = [2.87281975] Angstroms and c = 4.222165503846313 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 65
         Function evaluations: 151
Results for this minimization:
  a = 2.819111865503897, c = 4.944483442705423, total energy = -13.32885495059256

Attempting to perform relaxation using initial lattice constant guess of a = [2.87281975] Angstroms and c = 4.4567302540599965 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 66
         Function evaluations: 149
Results for this minimization:
  a = 2.819111811013527, c = 4.944483462920605, total energy = -13.328854950592568

Attempting to perform relaxation using initial lattice constant guess of a = [2.87281975] Angstroms and c = 4.69129500427368 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.819111918576379, c = 4.944483265822871, total energy = -13.328854950592543

Attempting to perform relaxation using initial lattice constant guess of a = [2.87281975] Angstroms and c = 4.925859754487364 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 2.819111859632068, c = 4.944483314207474, total energy = -13.328854950592575

Attempting to perform relaxation using initial lattice constant guess of a = [2.87281975] Angstroms and c = 5.160424504701048 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.81911186585011, c = 4.944483375115386, total energy = -13.328854950592564

Attempting to perform relaxation using initial lattice constant guess of a = [2.87281975] Angstroms and c = 5.394989254914732 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 78
         Function evaluations: 166
Results for this minimization:
  a = 2.819111852698487, c = 4.944483535110459, total energy = -13.328854950592568

Attempting to perform relaxation using initial lattice constant guess of a = [2.87281975] Angstroms and c = 5.629554005128416 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.8191118884012987, c = 4.944483514623494, total energy = -13.328854950592536

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

 Final lattice Constants:
   a = 2.819111859632068 Angstroms, c = 4.944483314207474 Angstroms, c/a = 1.753915

 Total energy: -13.328854950592575 eV

 Cohesive energy: -3.3322137376481438 eV/atom

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