Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005
Computed model cutoff of 5.506786007434139 Angstroms
Computed isolated atomic energy of -2.009087334761683e-07 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: -14.128603
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.553825750947003, total energy = -14.128603153167598

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: -14.128603
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5538257509470017, total energy = -14.128603153167592

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: -14.128603
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5538257502019426, total energy = -14.128603153167614

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: -14.128603
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.553825724613853, total energy = -14.12860315316759

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: -14.128603
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.553825706243515, total energy = -14.128603153167559

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: -14.128603
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.5538257596083, total energy = -14.128603153167584

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: -14.128603
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.553825740795583, total energy = -14.128603153167564

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: -14.128603
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.553825750161196, total energy = -14.128603153167587

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: -14.128603
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5538257430307563, total energy = -14.128603153167557

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: -14.128603
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.553825706243515, total energy = -14.128603153167568

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: -14.128603
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.553825731948018, total energy = -14.128603153167624

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: -14.128603
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.553825749922543, total energy = -14.128603153167571

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: -14.128603
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.553825704380869, total energy = -14.128603153167562

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: -14.128603
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.553825705125927, total energy = -14.128603153167575

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: -14.128603
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.553825751238037, total energy = -14.12860315316759

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: -14.128603
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.55382575020194, total energy = -14.128603153167601

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: -14.128603
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.5538257086183864, total energy = -14.128603153167589

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: -14.128603
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.553825724695343, total energy = -14.128603153167584

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: -14.128603
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.553825707902431, total energy = -14.128603153167575

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: -14.128603
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5538257495500147, total energy = -14.128603153167571

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: -14.128603
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.553825724576014, total energy = -14.128603153167552

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: -14.128603
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5538257596082974, total energy = -14.128603153167568

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: -14.128603
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5538257509469995, total energy = -14.128603153167573

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: -14.128603
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5538257407955793, total energy = -14.12860315316755

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: -14.128603
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5538257332518697, total energy = -14.128603153167566

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: -14.128603
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5538257501088046, total energy = -14.12860315316758

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: -14.128603
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5538256859552333, total energy = -14.128603153167532

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: -14.128603
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.553825741261245, total energy = -14.128603153167562

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: -14.128603
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.553825731284447, total energy = -14.128603153167603

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: -14.128603
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.553825706243515, total energy = -14.128603153167571

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: -14.128603
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.553825704753394, total energy = -14.128603153167564

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: -14.128603
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.553825731948016, total energy = -14.128603153167594

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.64375, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.775, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.625, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55382573] Angstroms and c = 3.3363039654732867 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 64
         Function evaluations: 142
Results for this minimization:
  a = 2.556101481372072, c = 4.162378201409137, total energy = -14.128711908668249

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382573] Angstroms and c = 3.544822963315367 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 65
         Function evaluations: 146
Results for this minimization:
  a = 2.5561015042443715, c = 4.162378078245851, total energy = -14.128711908668263

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382573] Angstroms and c = 3.7533419611574472 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.5561014872546775, c = 4.162378148666522, total energy = -14.128711908668244

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382573] Angstroms and c = 3.9618609589995275 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.556101490366841, c = 4.16237813005243, total energy = -14.128711908668238

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382573] Angstroms and c = 4.170379956841607 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 2.5561014820894443, c = 4.162378188016001, total energy = -14.128711908668242

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382573] Angstroms and c = 4.378898954683688 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.556101510555982, c = 4.162378179637553, total energy = -14.128711908668242

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382573] Angstroms and c = 4.587417952525769 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.5561014814965786, c = 4.162378136528731, total energy = -14.12871190866824

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382573] Angstroms and c = 4.795936950367849 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.556101480484609, c = 4.162378088831902, total energy = -14.128711908668231

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382573] Angstroms and c = 5.0044559482099285 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 72
         Function evaluations: 159
Results for this minimization:
  a = 2.556101488059594, c = 4.1623781518350285, total energy = -14.128711908668246

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

 Final lattice Constants:
   a = 2.5561015042443715 Angstroms, c = 4.162378078245851 Angstroms, c/a = 1.628409

 Total energy: -14.128711908668263 eV

 Cohesive energy: -3.532177977167066 eV/atom

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