Element = Lattice = Model = Element: Au
Lattice: hcp
Model: EAM_Dynamo_AcklandTichyVitek_1987_Au__MO_104891429740_005
Computed model cutoff of 4.994081611186287 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: -15.119052
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.8918431321391838, total energy = -15.119051855945097

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: -15.119052
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.891843127203174, total energy = -15.119051855945097

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: -15.119052
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8918431341648128, total energy = -15.119051855945084

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: -15.119052
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8918431594967844, total energy = -15.119051855945067

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: -15.119052
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8918431274825713, total energy = -15.119051855945091

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: -15.119052
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.89184313729056, total energy = -15.119051855945086

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: -15.119052
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.891843137331307, total energy = -15.119051855945091

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: -15.119052
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.891843128268374, total energy = -15.119051855945091

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: -15.119052
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.8918431442463777, total energy = -15.11905185594508

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: -15.119052
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.891843128524488, total energy = -15.119051855945093

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: -15.119052
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.891843122383579, total energy = -15.119051855945107

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: -15.119052
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.891843127508764, total energy = -15.119051855945104

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: -15.119052
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8918431431055063, total energy = -15.119051855945084

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: -15.119052
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8918431431986384, total energy = -15.119051855945083

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: -15.119052
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8918431323021645, total energy = -15.11905185594508

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: -15.119052
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8918431332102035, total energy = -15.11905185594509

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: -15.119052
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.89184312755242, total energy = -15.119051855945095

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: -15.119052
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.891843127133323, total energy = -15.11905185594508

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: -15.119052
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8918431218713514, total energy = -15.119051855945091

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: -15.119052
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8918431555794095, total energy = -15.119051855945061

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: -15.119052
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8918431175407, total energy = -15.11905185594508

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: -15.119052
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8918431327911094, total energy = -15.119051855945095

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 5.175000000000001, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.0875, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.225, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.11875, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.0, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.89184312] Angstroms and c = 3.7778880352088833 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 75
         Function evaluations: 153
Results for this minimization:
  a = 2.865460475836258, c = 4.796143356820591, total energy = -15.134072013281171

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184312] Angstroms and c = 4.014006037409438 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.865460493384545, c = 4.79614332729119, total energy = -15.134072013281148

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184312] Angstroms and c = 4.250124039609993 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.865460521487847, c = 4.796143260571217, total energy = -15.134072013281115

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184312] Angstroms and c = 4.486242041810549 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 64
         Function evaluations: 139
Results for this minimization:
  a = 2.865460468732023, c = 4.796143304515688, total energy = -15.134072013281159

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184312] Angstroms and c = 4.722360044011104 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 62
         Function evaluations: 136
Results for this minimization:
  a = 2.8654604589976147, c = 4.79614338036425, total energy = -15.134072013281152

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184312] Angstroms and c = 4.958478046211659 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 66
         Function evaluations: 148
Results for this minimization:
  a = 2.865460461067107, c = 4.796143419275489, total energy = -15.134072013281148

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184312] Angstroms and c = 5.194596048412214 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 76
         Function evaluations: 153
Results for this minimization:
  a = 2.8654604268774673, c = 4.796143361644165, total energy = -15.134072013281118

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184312] Angstroms and c = 5.430714050612769 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.8654605095141914, c = 4.796143260811842, total energy = -15.134072013281147

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184312] Angstroms and c = 5.666832052813325 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.865460469444959, c = 4.796143439149509, total energy = -15.13407201328116

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

 Final lattice Constants:
   a = 2.865460475836258 Angstroms, c = 4.796143356820591 Angstroms, c/a = 1.673778

 Total energy: -15.134072013281171 eV

 Cohesive energy: -3.783518003320293 eV/atom

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