Element = Lattice = Model = Element: Au
Lattice: hcp
Model: EAM_Dynamo_Ackland_1987_Au__MO_754413982908_000
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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.891843128227629, total energy = -15.119051855951211

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.891843117773533, total energy = -15.119051855951197

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: 79
Results for this minimization:
  a = 2.891843129694464, total energy = -15.119051855951184

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: 76
Results for this minimization:
  a = 2.891843129415066, total energy = -15.11905185595118

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.891843133978546, total energy = -15.119051855951195

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: 74
Results for this minimization:
  a = 2.8918431338621287, total energy = -15.119051855951179

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: 74
Results for this minimization:
  a = 2.8918431439669803, total energy = -15.119051855951191

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: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.89184312839061, total energy = -15.119051855951204

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: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8918431232450534, total energy = -15.119051855951199

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: 71
Results for this minimization:
  a = 2.8918431498110295, total energy = -15.119051855951174

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: 70
Results for this minimization:
  a = 2.891843149345367, total energy = -15.119051855951197

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: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.891843119286932, total energy = -15.119051855951183

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 = 2.891843123733997, total energy = -15.119051855951191

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.89184314571321, total energy = -15.119051855951167

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 = 2.8918431283906094, total energy = -15.119051855951193

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 = 2.8918431176803994, total energy = -15.119051855951176

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: 76
Results for this minimization:
  a = 2.891843117773533, total energy = -15.119051855951195

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: 72
Results for this minimization:
  a = 2.891843128576873, total energy = -15.119051855951186

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8918431285768738, total energy = -15.119051855951202

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.891843118891121, total energy = -15.119051855951179

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8918431594967817, total energy = -15.119051855951172

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8918431075289845, total energy = -15.119051855951176

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 = [2.89184313] Angstroms and c = 3.7778880428435184 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 2.8654604385078315, c = 4.796143455589455, total energy = -15.134072013288002

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 4.0140060455212385 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.865460454051182, c = 4.796143370122733, total energy = -15.134072013288032

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 4.250124048198959 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.8654604756819495, c = 4.79614328222051, total energy = -15.134072013288009

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 4.486242050876679 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.8654604630688865, c = 4.796143386600846, total energy = -15.134072013288066

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 4.722360053554398 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.8654604875823777, c = 4.79614328218196, total energy = -15.134072013288055

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 4.958478056232119 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.86546048007984, c = 4.796143277262027, total energy = -15.134072013288021

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 5.194596058909839 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.8654604619820967, c = 4.796143369187341, total energy = -15.134072013288037

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 5.430714061587559 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.865460468858267, c = 4.796143374177377, total energy = -15.134072013288046

Attempting to perform relaxation using initial lattice constant guess of a = [2.89184313] Angstroms and c = 5.666832064265279 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.134072
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.8654604700471316, c = 4.796143407169198, total energy = -15.134072013288034

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

 Final lattice Constants:
   a = 2.8654604630688865 Angstroms, c = 4.796143386600846 Angstroms, c/a = 1.673778

 Total energy: -15.134072013288066 eV

 Cohesive energy: -3.7835180033220164 eV/atom

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