Element = Lattice = Model = Element: Ag
Lattice: hcp
Model: EAM_Dynamo_AcklandTichyVitek_1987_Ag__MO_212700056563_005
Computed model cutoff of 5.003878731876632 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ag

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

Optimization terminated successfully.
         Current function value: -11.844401
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.898250952363014, total energy = -11.844400529012107

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: -11.844401
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.898250952735549, total energy = -11.844400529012105

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: -11.844401
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8982509413734117, total energy = -11.844400529012105

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: -11.844401
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.898250977555291, total energy = -11.844400529012102

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: -11.844401
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.898250973597169, total energy = -11.844400529012095

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: -11.844401
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.898250958765857, total energy = -11.84440052901211

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: -11.844401
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8982509851455713, total energy = -11.844400529012095

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: -11.844401
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.898250961489977, total energy = -11.844400529012109

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: -11.844401
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8982509597088226, total energy = -11.844400529012113

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: -11.844401
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8982509677676713, total energy = -11.844400529012105

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: -11.844401
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.898250952363014, total energy = -11.844400529012104

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: -11.844401
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.898250960110454, total energy = -11.844400529012105

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: -11.844401
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8982509609311817, total energy = -11.8444005290121

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: -11.844401
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.898250958975405, total energy = -11.844400529012098

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: -11.844401
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8982509614899756, total energy = -11.844400529012109

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: -11.844401
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8982509672641754, total energy = -11.844400529012104

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: -11.844401
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8982509672641745, total energy = -11.844400529012098

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: -11.844401
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8982509640045464, total energy = -11.844400529012098

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: -11.844401
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8982509592548005, total energy = -11.844400529012095

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: -11.844401
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8982509687455593, total energy = -11.8444005290121

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: -11.844401
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.898250958416611, total energy = -11.844400529012105

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: -11.844401
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8982509545981863, total energy = -11.844400529012105

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: -11.844401
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.8982509493827813, total energy = -11.844400529012093

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: -11.844401
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.898250961315353, total energy = -11.844400529012105

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: -11.844401
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8982509678229667, total energy = -11.844400529012098

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: -11.844401
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8982509612105787, total energy = -11.844400529012093

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: -11.844401
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.898250960023139, total energy = -11.844400529012107

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: 97
Results for this minimization:
  a = 5.25, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.125, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.89825096] Angstroms and c = 3.786259198836407 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.852237
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 2.8772749203563572, c = 4.788479237091224, total energy = -11.85223659040111

Attempting to perform relaxation using initial lattice constant guess of a = [2.89825096] Angstroms and c = 4.022900398763682 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.852237
         Iterations: 74
         Function evaluations: 151
Results for this minimization:
  a = 2.877274907247985, c = 4.788479293624439, total energy = -11.852236590401107

Attempting to perform relaxation using initial lattice constant guess of a = [2.89825096] Angstroms and c = 4.259541598690958 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.852237
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.8772748960906007, c = 4.788479231814115, total energy = -11.852236590401105

Attempting to perform relaxation using initial lattice constant guess of a = [2.89825096] Angstroms and c = 4.496182798618233 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.852237
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.877274907658851, c = 4.788479250703473, total energy = -11.852236590401102

Attempting to perform relaxation using initial lattice constant guess of a = [2.89825096] Angstroms and c = 4.732823998545508 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.852237
         Iterations: 63
         Function evaluations: 140
Results for this minimization:
  a = 2.877274907028898, c = 4.78847931250897, total energy = -11.852236590401112

Attempting to perform relaxation using initial lattice constant guess of a = [2.89825096] Angstroms and c = 4.969465198472784 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.852237
         Iterations: 64
         Function evaluations: 139
Results for this minimization:
  a = 2.877274889531653, c = 4.788479305124152, total energy = -11.852236590401098

Attempting to perform relaxation using initial lattice constant guess of a = [2.89825096] Angstroms and c = 5.206106398400059 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.852237
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.8772749041559953, c = 4.788479330271872, total energy = -11.8522365904011

Attempting to perform relaxation using initial lattice constant guess of a = [2.89825096] Angstroms and c = 5.442747598327334 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.852237
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 2.8772749222714116, c = 4.788479338780014, total energy = -11.852236590401098

Attempting to perform relaxation using initial lattice constant guess of a = [2.89825096] Angstroms and c = 5.679388798254609 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.852237
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.877274896918263, c = 4.788479288068634, total energy = -11.852236590401107

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

 Final lattice Constants:
   a = 2.877274907028898 Angstroms, c = 4.78847931250897 Angstroms, c/a = 1.664241

 Total energy: -11.852236590401112 eV

 Cohesive energy: -2.963059147600278 eV/atom

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