Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_AcklandTichyVitek_1987_Cu__MO_179025990738_005
Computed model cutoff of 4.427452808059785 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))

Optimization terminated successfully.
         Current function value: -14.044385
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.567515759589151, total energy = -14.04438527389645

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: -14.044385
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.567515792325139, total energy = -14.044385273896442

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: -14.044385
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.567515766568254, total energy = -14.044385273896442

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: -14.044385
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5675157904624966, total energy = -14.044385273896433

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: -14.044385
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5675157812424025, total energy = -14.044385273896447

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: -14.044385
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5675157696008686, total energy = -14.044385273896447

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: -14.044385
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5675157750956714, total energy = -14.04438527389644

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: -14.044385
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5675157900899657, total energy = -14.044385273896436

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: -14.044385
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5675157847348613, total energy = -14.044385273896443

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: -14.044385
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5675157859921454, total energy = -14.044385273896435

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: -14.044385
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5675157900899643, total energy = -14.044385273896433

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: -14.044385
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.567515773815103, total energy = -14.044385273896447

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: -14.044385
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5675157550140293, total energy = -14.044385273896438

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: -14.044385
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5675157668883912, total energy = -14.044385273896445

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: -14.044385
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5675157931167623, total energy = -14.04438527389643

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: -14.044385
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5675157860619935, total energy = -14.04438527389644

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: -14.044385
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.567515773771447, total energy = -14.04438527389645

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: -14.044385
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.567515791230835, total energy = -14.044385273896442

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: -14.044385
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5675157658755765, total energy = -14.044385273896442

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: -14.044385
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.567515769600867, total energy = -14.044385273896449

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: -14.044385
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.567515767365692, total energy = -14.044385273896438

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: -14.044385
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.567515790462494, total energy = -14.044385273896433

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: -14.044385
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.567515761824321, total energy = -14.04438527389644

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: -14.044385
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5675157845020276, total energy = -14.044385273896438

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: -14.044385
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.567515768809245, total energy = -14.044385273896433

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: -14.044385
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5675157665275012, total energy = -14.044385273896443

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: -14.044385
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.567515777423978, total energy = -14.044385273896445

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: -14.044385
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5675157926976633, total energy = -14.044385273896438

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.56751576] Angstroms and c = 3.3541885426921523 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.055458
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.545634486699175, c = 4.244912276793784, total energy = -14.055458054729112

Attempting to perform relaxation using initial lattice constant guess of a = [2.56751576] Angstroms and c = 3.5638253266104116 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.055458
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.5456344634461265, c = 4.244912334573461, total energy = -14.055458054729133

Attempting to perform relaxation using initial lattice constant guess of a = [2.56751576] Angstroms and c = 3.773462110528671 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.055458
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.545634478208427, c = 4.244912313159384, total energy = -14.055458054729117

Attempting to perform relaxation using initial lattice constant guess of a = [2.56751576] Angstroms and c = 3.9830988944469303 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.055458
         Iterations: 66
         Function evaluations: 140
Results for this minimization:
  a = 2.545634481120093, c = 4.244912301096987, total energy = -14.055458054729117

Attempting to perform relaxation using initial lattice constant guess of a = [2.56751576] Angstroms and c = 4.19273567836519 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.055458
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.545634472025977, c = 4.244912316135463, total energy = -14.055458054729119

Attempting to perform relaxation using initial lattice constant guess of a = [2.56751576] Angstroms and c = 4.402372462283449 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.055458
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.545634476553623, c = 4.244912309821554, total energy = -14.055458054729122

Attempting to perform relaxation using initial lattice constant guess of a = [2.56751576] Angstroms and c = 4.612009246201708 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.055458
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.5456344758622245, c = 4.244912329847357, total energy = -14.05545805472913

Attempting to perform relaxation using initial lattice constant guess of a = [2.56751576] Angstroms and c = 4.821646030119968 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.055458
         Iterations: 79
         Function evaluations: 162
Results for this minimization:
  a = 2.5456344783737594, c = 4.2449123162810665, total energy = -14.055458054729124

Attempting to perform relaxation using initial lattice constant guess of a = [2.56751576] Angstroms and c = 5.031282814038227 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.055458
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 2.5456344520972607, c = 4.2449123127688235, total energy = -14.05545805472912

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

 Final lattice Constants:
   a = 2.5456344634461265 Angstroms, c = 4.244912334573461 Angstroms, c/a = 1.667526

 Total energy: -14.055458054729133 eV

 Cohesive energy: -3.5138645136822833 eV/atom

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