Element = Lattice = Model = Element: Co
Lattice: hcp
Model: EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
Computed model cutoff of 7.286399796679631 Angstroms
Computed isolated atomic energy of -2.35872302399057 eV for species Co

==============================================================================
==============================================================================
 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: -0.877734
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.500390097498901, total energy = -0.8777344654285493

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: 0.189567
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.7935829212889063, total energy = 0.18956688625899787

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: -0.877734
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.500390141969547, total energy = -0.8777344654285439

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: 0.189567
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7935829152818847, total energy = 0.18956688625899965

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: -0.877734
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.500390104390688, total energy = -0.8777344654285493

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: 0.189567
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.793582914629953, total energy = 0.18956688625899432

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: 0.189567
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7935829201829625, total energy = 0.18956688625899432

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: 0.189567
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.7935829176567495, total energy = 0.18956688625900142

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: 0.189567
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.793582922220232, total energy = 0.18956688625900142

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: 0.189567
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.793582923477517, total energy = 0.18956688625899965

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: 0.189567
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7935829150024816, total energy = 0.18956688625899254

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: 0.189567
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.793582921288907, total energy = 0.18956688625899432

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: 0.189567
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.793582919985056, total energy = 0.18956688625900142

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: 0.189567
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.7935829098336398, total energy = 0.1895668862590032

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: 0.189567
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7935829164343886, total energy = 0.1895668862589961

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: 0.189567
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.7935829176101836, total energy = 0.18956688625899432

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: 0.189567
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.793582911649718, total energy = 0.18956688625900675

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: 0.189567
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7935829176567495, total energy = 0.18956688625900142

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: 0.189567
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7935829119058324, total energy = 0.18956688625900497

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: 0.189567
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7935829212889067, total energy = 0.18956688625899787

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: -0.877734
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.500390125811099, total energy = -0.8777344654285475

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: -0.877734
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 4.500390135124329, total energy = -0.8777344654285457

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: -0.877734
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.500390108092688, total energy = -0.8777344654285457

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: -0.877734
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.500390120968223, total energy = -0.8777344654285493

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: -0.877734
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.5003900974988955, total energy = -0.8777344654285475

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: -0.877734
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.500390107568819, total energy = -0.877734465428551

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: -0.877734
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 4.500390097498894, total energy = -0.8777344654285493

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: -0.877734
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 4.500390098633943, total energy = -0.8777344654285475

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: -0.877734
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.500390108022838, total energy = -0.877734465428551

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: -0.877734
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.500390145345592, total energy = -0.8777344654285457

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: -0.877734
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.5003901314921695, total energy = -0.8777344654285475

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: -0.877734
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 4.500390130653978, total energy = -0.8777344654285457

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: -0.877734
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 4.500390134518966, total energy = -0.8777344654285457

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: -0.877734
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 4.500390121445522, total energy = -0.8777344654285457

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: -0.877734
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.500390106049597, total energy = -0.8777344654285457

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: -0.877734
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.500390127860008, total energy = -0.8777344654285457

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: -0.877734
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.500390107184646, total energy = -0.8777344654285457

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: -0.116855
         Iterations: 35
         Function evaluations: 81
Results for this minimization:
  a = 6.525490790605545, total energy = -0.11685464775685617

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: -0.116855
         Iterations: 35
         Function evaluations: 80
Results for this minimization:
  a = 6.525490874052048, total energy = -0.11685464775685617

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: -0.116855
         Iterations: 34
         Function evaluations: 78
Results for this minimization:
  a = 6.525490871071817, total energy = -0.11685464775685617

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: -0.116855
         Iterations: 34
         Function evaluations: 78
Results for this minimization:
  a = 6.525490808486939, total energy = -0.11685464775685617

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: -0.116855
         Iterations: 33
         Function evaluations: 76
Results for this minimization:
  a = 6.5254909127950675, total energy = -0.11685464775685617

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: -0.116855
         Iterations: 33
         Function evaluations: 76
Results for this minimization:
  a = 6.525490880012512, total energy = -0.11685464775685617

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: -0.116855
         Iterations: 33
         Function evaluations: 77
Results for this minimization:
  a = 6.525490772724153, total energy = -0.11685464775685617

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: -0.116855
         Iterations: 33
         Function evaluations: 76
Results for this minimization:
  a = 6.5254908919334405, total energy = -0.11685464775685617

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: -0.116855
         Iterations: 33
         Function evaluations: 76
Results for this minimization:
  a = 6.525490835309029, total energy = -0.11685464775685617

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: -0.116855
         Iterations: 34
         Function evaluations: 78
Results for this minimization:
  a = 6.5254908978939055, total energy = -0.11685464775685617

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.116855
         Iterations: 34
         Function evaluations: 78
Results for this minimization:
  a = 6.525490924715996, total energy = -0.11685464775685617

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.116855
         Iterations: 34
         Function evaluations: 78
Results for this minimization:
  a = 6.525490808486937, total energy = -0.11685464775685617

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.116855
         Iterations: 35
         Function evaluations: 80
Results for this minimization:
  a = 6.525490844249724, total energy = -0.11685464775685617

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.116855
         Iterations: 35
         Function evaluations: 80
Results for this minimization:
  a = 6.525490903854369, total energy = -0.11685464775685617

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.116855
         Iterations: 35
         Function evaluations: 80
Results for this minimization:
  a = 6.525490942597389, total energy = -0.11685464775685617

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


Attempting to perform relaxation using initial lattice constant guess of a = [4.50039011] Angstroms and c = 5.879285017073443 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.877734
         Iterations: 75
         Function evaluations: 155
Results for this minimization:
  a = 4.500390114209088, c = 7.349106350106743, total energy = -0.8777344654285457

Attempting to perform relaxation using initial lattice constant guess of a = [4.50039011] Angstroms and c = 6.246740330640534 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.877734
         Iterations: 76
         Function evaluations: 165
Results for this minimization:
  a = 4.500390095404882, c = 7.34910632702203, total energy = -0.8777344654285457

Attempting to perform relaxation using initial lattice constant guess of a = [4.50039011] Angstroms and c = 6.614195644207624 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.877734
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 4.500390140204663, c = 7.349106280535407, total energy = -0.8777344654285457

Attempting to perform relaxation using initial lattice constant guess of a = [4.50039011] Angstroms and c = 6.981650957774714 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.877734
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 4.500390118334963, c = 7.349106284393166, total energy = -0.8777344654285493

Attempting to perform relaxation using initial lattice constant guess of a = [4.50039011] Angstroms and c = 7.349106271341804 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.877734
         Iterations: 62
         Function evaluations: 141
Results for this minimization:
  a = 4.500390107568819, c = 7.349106271341804, total energy = -0.8777344654285493

Attempting to perform relaxation using initial lattice constant guess of a = [4.50039011] Angstroms and c = 7.716561584908894 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.877734
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 4.500390138549545, c = 7.349106251482562, total energy = -0.8777344654285457

Attempting to perform relaxation using initial lattice constant guess of a = [4.50039011] Angstroms and c = 8.084016898475983 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.877734
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 4.500390123892021, c = 7.3491062999431085, total energy = -0.8777344654285457

Attempting to perform relaxation using initial lattice constant guess of a = [4.50039011] Angstroms and c = 8.451472212043075 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.877734
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 4.5003901369048895, c = 7.34910629963501, total energy = -0.8777344654285457

Attempting to perform relaxation using initial lattice constant guess of a = [4.50039011] Angstroms and c = 8.818927525610164 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.877734
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 4.500390125722996, c = 7.349106267059682, total energy = -0.8777344654285457

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

 Final lattice Constants:
   a = [4.50039011] Angstroms, c = [7.34910627] Angstroms, c/a = 1.632993

 Total energy: -0.877734465428551 eV

 Cohesive energy: -0.21943361635713776 eV/atom

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