Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_MendelevKing_2008_Cu__MO_748636486270_005
Computed model cutoff of 5.99943968780343 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: -13.659303
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5721060683135866, total energy = -13.659302512090997

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: -13.659303
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5721060670912266, total energy = -13.65930251209095

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: -13.659303
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.572106057405477, total energy = -13.659302512090958

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: -13.659303
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.572106015682223, total energy = -13.659302512090914

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: -13.659303
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5721060608048014, total energy = -13.659302512090935

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: -13.659303
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.572106057405473, total energy = -13.659302512090967

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: -13.659303
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5721060670912266, total energy = -13.659302512090951

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: -13.659303
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.572106042504312, total energy = -13.659302512090985

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: -13.659303
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.5721060926967763, total energy = -13.659302512090985

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: -13.659303
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.572106068208814, total energy = -13.65930251209099

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: -13.659303
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.572106055059703, total energy = -13.659302512090997

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: -13.659303
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5721060670912266, total energy = -13.65930251209095

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: -13.659303
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.5721060156822215, total energy = -13.659302512090921

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: -13.659303
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5721060574054717, total energy = -13.65930251209097

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: -13.659303
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.572106058825738, total energy = -13.659302512090967

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: -13.659303
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5721060156822193, total energy = -13.659302512090921

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: -13.659303
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5721060668001883, total energy = -13.659302512090957

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: -13.659303
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.572106060048099, total energy = -13.659302512090953

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: -13.659303
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.572106065484694, total energy = -13.659302512090948

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: -13.659303
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5721060574054713, total energy = -13.659302512090965

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: -13.659303
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.5721060425043083, total energy = -13.659302512090989

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: -13.659303
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5721060670912266, total energy = -13.659302512090953

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: -13.659303
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.572106100665401, total energy = -13.659302512090918

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: -13.659303
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.572106057405471, total energy = -13.659302512090962

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: -13.659303
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.572106066689596, total energy = -13.659302512090973

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: -13.659303
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5721060926967727, total energy = -13.659302512091001

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: -13.659303
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.572106051578885, total energy = -13.659302512090958

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: -13.659303
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5721060682088086, total energy = -13.659302512090989

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: -13.659303
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5721060510724767, total energy = -13.659302512090992

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: -13.659303
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5721060550597046, total energy = -13.659302512090994

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: -13.659303
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.572106078965586, total energy = -13.659302512090951

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: -13.659303
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5721060670912266, total energy = -13.659302512090951

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: -13.659303
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.572106028534467, total energy = -13.65930251209093

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: -13.659303
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5721060156822197, total energy = -13.659302512090914

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: -13.659303
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.572106071375313, total energy = -13.659302512090978

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: -13.659303
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.572106057405468, total energy = -13.659302512090976

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: -13.659303
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.572106011211872, total energy = -13.659302512090894

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: -13.659303
         Iterations: 38
         Function evaluations: 77
Results for this minimization:
  a = 2.5721060588257325, total energy = -13.65930251209097

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: -13.659303
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.572106046583211, total energy = -13.659302512090965

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 = [2.57210609] Angstroms and c = 3.3601853287524603 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.659614
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.5683647366323967, c = 4.2110161688776335, total energy = -13.659613657693118

Attempting to perform relaxation using initial lattice constant guess of a = [2.57210609] Angstroms and c = 3.570196911799489 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.659614
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.568364706274463, c = 4.211016112295793, total energy = -13.659613657693086

Attempting to perform relaxation using initial lattice constant guess of a = [2.57210609] Angstroms and c = 3.7802084948465176 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.659614
         Iterations: 71
         Function evaluations: 144
Results for this minimization:
  a = 2.568364694463562, c = 4.211016143656581, total energy = -13.659613657693091

Attempting to perform relaxation using initial lattice constant guess of a = [2.57210609] Angstroms and c = 3.990220077893546 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.659614
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.568364698006503, c = 4.211016195878783, total energy = -13.659613657693075

Attempting to perform relaxation using initial lattice constant guess of a = [2.57210609] Angstroms and c = 4.200231660940575 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.659614
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.568364718751436, c = 4.211016188077318, total energy = -13.659613657693097

Attempting to perform relaxation using initial lattice constant guess of a = [2.57210609] Angstroms and c = 4.410243243987603 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.659614
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.5683647241334984, c = 4.211016216795682, total energy = -13.659613657693093

Attempting to perform relaxation using initial lattice constant guess of a = [2.57210609] Angstroms and c = 4.620254827034632 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.659614
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.5683647461596144, c = 4.211016129282196, total energy = -13.65961365769309

Attempting to perform relaxation using initial lattice constant guess of a = [2.57210609] Angstroms and c = 4.830266410081661 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.659614
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.568364709549912, c = 4.211016181771777, total energy = -13.659613657693088

Attempting to perform relaxation using initial lattice constant guess of a = [2.57210609] Angstroms and c = 5.040277993128689 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.659614
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.5683647445175293, c = 4.211016070549242, total energy = -13.659613657693113

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

 Final lattice Constants:
   a = 2.5683647366323967 Angstroms, c = 4.2110161688776335 Angstroms, c/a = 1.639571

 Total energy: -13.659613657693118 eV

 Cohesive energy: -3.4149034144232795 eV/atom

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