Element = Lattice = Model = Element: Zn
Lattice: hcp
Model: EAM_IMD_BrommerBoissieuEuchner_2009_MgZn__MO_710767216198_003
Computed model cutoff of 6.999999966919443 Angstroms
Computed isolated atomic energy of -0.15599093090442562 eV for species Zn

==============================================================================
==============================================================================
 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: -3.811067
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.797182203829292, total energy = -3.8110672612410372

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: -3.811067
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.797182226181029, total energy = -3.8110672612410443

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: -3.811067
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7971822193358094, total energy = -3.8110672612410488

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: -3.811067
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7971822108142144, total energy = -3.8110672612410426

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: -3.811067
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7971822440624274, total energy = -3.8110672612410372

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: -3.811067
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.797182238567622, total energy = -3.8110672612410337

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: -3.811067
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.797182233911008, total energy = -3.811067261241039

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: -3.811067
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7971822067629546, total energy = -3.811067261241039

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: -3.811067
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7971822150051615, total energy = -3.811067261241047

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: -3.811067
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.797182225715369, total energy = -3.811067261241039

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: -3.811067
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7971822261810297, total energy = -3.8110672612410434

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: -3.811067
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.797182248532771, total energy = -3.8110672612410363

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: -3.811067
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7971822275430895, total energy = -3.811067261241039

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: -3.811067
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.7971822150051597, total energy = -3.811067261241047

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: -3.811067
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.797182217985392, total energy = -3.8110672612410443

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: -3.811067
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7971822312829304, total energy = -3.8110672612410372

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: -3.811067
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.79718222618103, total energy = -3.8110672612410443

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: -3.811067
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7971822198014706, total energy = -3.8110672612410434

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: -3.811067
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7971822372055613, total energy = -3.811067261241038

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: -3.811067
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.797182224714196, total energy = -3.811067261241046

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: -0.652874
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.218115099100396, total energy = -0.6528738682074615

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: -0.652874
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.21811509821564, total energy = -0.6528738682074613

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: -0.652874
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 4.218115098774433, total energy = -0.6528738682074611

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: -0.652874
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.218115103477611, total energy = -0.6528738682074613

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: -0.652874
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 4.218115115165709, total energy = -0.6528738682074615

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: -0.652874
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 4.218115111766384, total energy = -0.6528738682074617

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: -0.652874
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 4.218115103431046, total energy = -0.6528738682074615

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: -0.652874
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.218115098774433, total energy = -0.6528738682074611

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: -0.652874
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.218115101009608, total energy = -0.6528738682074615

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: -0.652874
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 4.218115119170398, total energy = -0.6528738682074615

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: -0.652874
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.218115115165711, total energy = -0.6528738682074615

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: -0.652874
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 4.218115112464872, total energy = -0.6528738682074617

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: -0.652874
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.218115100637078, total energy = -0.6528738682074617

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: -0.652874
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.218115129368379, total energy = -0.6528738682074617

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: -0.652874
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.218115098774433, total energy = -0.6528738682074613

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: -0.652874
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 4.218115114234388, total energy = -0.6528738682074615

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: -0.652874
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.218115117400884, total energy = -0.6528738682074615

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: -0.652874
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.218115104362369, total energy = -0.6528738682074611

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: -0.035376
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 6.655720562487842, total energy = -0.03537574874764893

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: -0.035376
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 6.655720561370253, total energy = -0.03537574874764893

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: -0.035376
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 6.6557205677032485, total energy = -0.03537574874764893

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: -0.035376
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 6.655720565468073, total energy = -0.03537574874764893

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: -0.035376
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 6.655720565468073, total energy = -0.03537574874764893

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: -0.035376
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 6.655720576643945, total energy = -0.03537574874764893

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: -0.035376
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 6.6557205721735935, total energy = -0.03537574874764893

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: -0.035376
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 6.655720569007098, total energy = -0.03537574874764893

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: -0.035376
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 6.6557205677032485, total energy = -0.03537574874764893

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: -0.035376
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 6.655720565468073, total energy = -0.03537574874764893

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: -0.035376
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 6.65572057068348, total energy = -0.03537574874764893

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.79718222] Angstroms and c = 3.6542235493112276 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.835159
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.912135766757877, c = 4.310839841795218, total energy = -3.8351585456342576

Attempting to perform relaxation using initial lattice constant guess of a = [2.79718222] Angstroms and c = 3.8826125211431792 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.835159
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.912135785567753, c = 4.310839806231013, total energy = -3.835158545634256

Attempting to perform relaxation using initial lattice constant guess of a = [2.79718222] Angstroms and c = 4.111001492975131 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.835159
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.9121357649211785, c = 4.310839844986601, total energy = -3.835158545634254

Attempting to perform relaxation using initial lattice constant guess of a = [2.79718222] Angstroms and c = 4.3393904648070825 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.835159
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.91213577936933, c = 4.3108398477068395, total energy = -3.8351585456342514

Attempting to perform relaxation using initial lattice constant guess of a = [2.79718222] Angstroms and c = 4.567779436639034 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.835159
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.9121357861853143, c = 4.310839805526992, total energy = -3.835158545634254

Attempting to perform relaxation using initial lattice constant guess of a = [2.79718222] Angstroms and c = 4.796168408470986 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.835159
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.9121357730651014, c = 4.3108398114406175, total energy = -3.835158545634253

Attempting to perform relaxation using initial lattice constant guess of a = [2.79718222] Angstroms and c = 5.024557380302937 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.835159
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 2.9121357765309535, c = 4.310839804096039, total energy = -3.835158545634253

Attempting to perform relaxation using initial lattice constant guess of a = [2.79718222] Angstroms and c = 5.252946352134889 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.835159
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 2.9121357521043905, c = 4.310839865310104, total energy = -3.8351585456342514

Attempting to perform relaxation using initial lattice constant guess of a = [2.79718222] Angstroms and c = 5.4813353239668405 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.835159
         Iterations: 76
         Function evaluations: 165
Results for this minimization:
  a = 2.912135779506017, c = 4.3108397844166175, total energy = -3.8351585456342523

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

 Final lattice Constants:
   a = 2.912135766757877 Angstroms, c = 4.310839841795218 Angstroms, c/a = 1.480302

 Total energy: -3.8351585456342576 eV

 Cohesive energy: -0.9587896364085644 eV/atom

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