Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000
Computed model cutoff of 5.999755003452301 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cu

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

Optimization terminated successfully.
         Current function value: -13.594642
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5730953693389944, total energy = -13.594642262726413

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: -13.594642
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.5730953820049796, total energy = -13.59464226272641

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: -13.594642
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5730953748454364, total energy = -13.594642262726444

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: -13.594642
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5730953756719837, total energy = -13.594642262726477

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: -13.594642
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5730953991878778, total energy = -13.594642262726415

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: -13.594642
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.573095369338991, total energy = -13.594642262726406

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: -13.594642
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.573095380794257, total energy = -13.594642262726472

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: -13.594642
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.573095357418061, total energy = -13.594642262726362

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: -13.594642
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5730953902704634, total energy = -13.594642262726449

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: -13.594642
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.573095401749015, total energy = -13.594642262726428

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: -13.594642
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.573095408268273, total energy = -13.594642262726415

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: -13.594642
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.573095369338989, total energy = -13.594642262726405

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: -13.594642
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5730953667778507, total energy = -13.594642262726417

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: -13.594642
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5730953797698017, total energy = -13.594642262726408

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: -13.594642
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.573095380794257, total energy = -13.594642262726467

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: -13.594642
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5730953748454337, total energy = -13.594642262726442

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: -13.594642
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.5730953945079804, total energy = -13.594642262726412

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: -13.594642
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5730953834950916, total energy = -13.594642262726417

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: -13.594642
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5730953679885697, total energy = -13.594642262726431

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: -13.594642
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5730953991878778, total energy = -13.594642262726424

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: -13.594642
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5730953647522217, total energy = -13.594642262726406

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: -13.594642
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.573095369338988, total energy = -13.594642262726401

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: -13.594642
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.573095389443917, total energy = -13.594642262726419

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: -13.594642
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.573095396626737, total energy = -13.594642262726413

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: -13.594642
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.573095401749015, total energy = -13.594642262726436

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: -13.594642
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5730953574180564, total energy = -13.59464226272636

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: -13.594642
         Iterations: 40
         Function evaluations: 89
Results for this minimization:
  a = 2.5730954230995833, total energy = -13.594642262726415

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: -13.594642
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.573095375671984, total energy = -13.594642262726474

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: -13.594642
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5730954043567147, total energy = -13.594642262726406

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: -13.594642
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.573095401749015, total energy = -13.594642262726426

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: -13.594642
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5730954191079896, total energy = -13.5946422627264

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: -13.594642
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5730953764868887, total energy = -13.594642262726408

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: -13.594642
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.573095396778083, total energy = -13.594642262726406

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: -13.594642
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5730953693389855, total energy = -13.59464226272641

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: -13.594642
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.573095385916531, total energy = -13.594642262726431

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: -13.594642
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.573095367313356, total energy = -13.594642262726408

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: -13.594642
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.5730954091777667, total energy = -13.594642262726406

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.300000000000001, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.57309538] Angstroms and c = 3.361477722619388 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.594956
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.569479096145404, c = 4.213369157629777, total energy = -13.594955714015848

Attempting to perform relaxation using initial lattice constant guess of a = [2.57309538] Angstroms and c = 3.5715700802831 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.594956
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.569479110370622, c = 4.213369173688061, total energy = -13.594955714015796

Attempting to perform relaxation using initial lattice constant guess of a = [2.57309538] Angstroms and c = 3.781662437946812 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.594956
         Iterations: 72
         Function evaluations: 148
Results for this minimization:
  a = 2.5694790937368865, c = 4.213369137772134, total energy = -13.594955714015805

Attempting to perform relaxation using initial lattice constant guess of a = [2.57309538] Angstroms and c = 3.991754795610524 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.594956
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.569479062930612, c = 4.213369143921721, total energy = -13.59495571401582

Attempting to perform relaxation using initial lattice constant guess of a = [2.57309538] Angstroms and c = 4.201847153274236 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.594956
         Iterations: 62
         Function evaluations: 137
Results for this minimization:
  a = 2.569479127285126, c = 4.213369156236953, total energy = -13.594955714015777

Attempting to perform relaxation using initial lattice constant guess of a = [2.57309538] Angstroms and c = 4.411939510937948 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.594956
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.569479090498695, c = 4.213369191113988, total energy = -13.59495571401579

Attempting to perform relaxation using initial lattice constant guess of a = [2.57309538] Angstroms and c = 4.62203186860166 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.594956
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 2.569479089087409, c = 4.213369161325264, total energy = -13.594955714015814

Attempting to perform relaxation using initial lattice constant guess of a = [2.57309538] Angstroms and c = 4.832124226265371 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.594956
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.569479082902073, c = 4.213369089681978, total energy = -13.594955714015825

Attempting to perform relaxation using initial lattice constant guess of a = [2.57309538] Angstroms and c = 5.042216583929084 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.594956
         Iterations: 77
         Function evaluations: 164
Results for this minimization:
  a = 2.569479154113321, c = 4.213369143960406, total energy = -13.59495571401576

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

 Final lattice Constants:
   a = 2.569479096145404 Angstroms, c = 4.213369157629777 Angstroms, c/a = 1.639776

 Total energy: -13.594955714015848 eV

 Cohesive energy: -3.398738928503962 eV/atom

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