Element = Lattice = Model = Element: Au
Lattice: hcp
Model: EAM_Dynamo_Zhakhovsky_2009_Au__MO_173248269481_000
Computed model cutoff of 6.87500000149014 Angstroms
Computed isolated atomic energy of 0.0 eV for species Au

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -15.241606
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8744588136672977, total energy = -15.241605551700268

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: -15.241606
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.874458821490407, total energy = -15.24160555170028

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: -15.241606
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8744588136673, total energy = -15.241605551700268

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: -15.241606
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8744588136672986, total energy = -15.241605551700268

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: -15.241606
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8744588136672973, total energy = -15.241605551700268

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: -15.241606
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8744588238652793, total energy = -15.241605551700292

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: -15.241606
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8744588213739917, total energy = -15.241605551700292

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: -15.241606
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.874458813667297, total energy = -15.241605551700268

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: -15.241606
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.8744588213739926, total energy = -15.241605551700278

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: -15.241606
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.874458853539545, total energy = -15.241605551700227

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: -15.241606
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.874458813667297, total energy = -15.241605551700268

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: -15.241606
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8744588507106528, total energy = -15.241605551700232

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: -15.241606
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8744588221015874, total energy = -15.241605551700257

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: -15.241606
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8744588634348474, total energy = -15.241605551700212

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: -15.241606
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.874458813667297, total energy = -15.241605551700268

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: -15.241606
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.874458803643937, total energy = -15.241605551700198

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: -15.241606
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.874458821490407, total energy = -15.241605551700266

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: -15.241606
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.874458871781823, total energy = -15.241605551700154

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: -15.241606
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8744588136672964, total energy = -15.241605551700268

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: -15.241606
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.874458835460247, total energy = -15.241605551700241

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: -15.241606
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.874458813667295, total energy = -15.241605551700257

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: -15.241606
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.874458823527675, total energy = -15.241605551700276

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: -15.241606
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.874458813667293, total energy = -15.24160555170026

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: -15.241606
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8744588558562087, total energy = -15.241605551700237

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: -15.241606
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8744588238652815, total energy = -15.241605551700285

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: -15.241606
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.874458829479406, total energy = -15.241605551700266

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: -15.241606
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8744588213739917, total energy = -15.241605551700282

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 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 = 5.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.25 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 = 5.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.375 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 = 5.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.5 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 = 5.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -15.241606
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8744588354602456, total energy = -15.241605551700237

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: -15.241606
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8744588519330088, total energy = -15.241605551700216

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: -15.241606
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.874458807357586, total energy = -15.241605551700243

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: -15.241606
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8744588136672897, total energy = -15.241605551700248

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: -15.241606
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8744588423520288, total energy = -15.241605551700228

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: -15.241606
         Iterations: 41
         Function evaluations: 84
Results for this minimization:
  a = 2.8744588239351287, total energy = -15.241605551700284

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: -15.241606
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.8744588136672955, total energy = -15.241605551700255

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: -15.241606
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.874458822328591, total energy = -15.241605551700252

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: -15.241606
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.8744588272762406, total energy = -15.241605551700255

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: -15.241606
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8744588514906315, total energy = -15.2416055517002

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: -15.241606
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.8744588354602456, total energy = -15.241605551700234

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: -15.241606
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.874458813667295, total energy = -15.241605551700257

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.87445882] Angstroms and c = 3.7551772827256533 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.241607
         Iterations: 78
         Function evaluations: 160
Results for this minimization:
  a = 2.874769791190675, c = 4.692958419295337, total energy = -15.24160746752658

Attempting to perform relaxation using initial lattice constant guess of a = [2.87445882] Angstroms and c = 3.9898758628960067 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.241607
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.874769835078551, c = 4.692958408164782, total energy = -15.241607467526634

Attempting to perform relaxation using initial lattice constant guess of a = [2.87445882] Angstroms and c = 4.22457444306636 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.241607
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.874769856125569, c = 4.69295825454781, total energy = -15.241607467526563

Attempting to perform relaxation using initial lattice constant guess of a = [2.87445882] Angstroms and c = 4.4592730232367135 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.241607
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.8747698350748383, c = 4.692958482741941, total energy = -15.241607467526622

Attempting to perform relaxation using initial lattice constant guess of a = [2.87445882] Angstroms and c = 4.693971603407067 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.241607
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 2.874769824769169, c = 4.69295857924197, total energy = -15.241607467526606

Attempting to perform relaxation using initial lattice constant guess of a = [2.87445882] Angstroms and c = 4.92867018357742 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.241607
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.874769869228309, c = 4.69295843440282, total energy = -15.241607467526572

Attempting to perform relaxation using initial lattice constant guess of a = [2.87445882] Angstroms and c = 5.163368763747774 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.241607
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.874769822016032, c = 4.6929585390863355, total energy = -15.24160746752661

Attempting to perform relaxation using initial lattice constant guess of a = [2.87445882] Angstroms and c = 5.398067343918127 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.241607
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.8747697784273543, c = 4.692958553192386, total energy = -15.241607467526586

Attempting to perform relaxation using initial lattice constant guess of a = [2.87445882] Angstroms and c = 5.63276592408848 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.241607
         Iterations: 77
         Function evaluations: 161
Results for this minimization:
  a = 2.874769817509797, c = 4.692958518067952, total energy = -15.241607467526626

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

 Final lattice Constants:
   a = 2.874769835078551 Angstroms, c = 4.692958408164782 Angstroms, c/a = 1.632464

 Total energy: -15.241607467526634 eV

 Cohesive energy: -3.8104018668816586 eV/atom

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