Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005
Computed model cutoff of 5.999653965048533 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: -13.105145
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5726976524572813, total energy = -13.10514535355481

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: -13.105145
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5726976692676544, total energy = -13.105145353554857

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: -13.105145
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.572697692108346, total energy = -13.105145353554843

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: -13.105145
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.57269765804522, total energy = -13.105145353554827

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: -13.105145
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.572697660047563, total energy = -13.105145353554889

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: -13.105145
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.572697656601669, total energy = -13.105145353554843

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: -13.105145
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.572697650641203, total energy = -13.105145353554818

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: -13.105145
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.572697663493456, total energy = -13.105145353554859

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: -13.105145
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.572697676718236, total energy = -13.105145353554853

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: -13.105145
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5726976649253634, total energy = -13.10514535355484

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: -13.105145
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.5726976709585867, total energy = -13.105145353554837

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: -13.105145
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5726976692676544, total energy = -13.10514535355485

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: -13.105145
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.5726976814970843, total energy = -13.10514535355486

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: -13.105145
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.572697634994984, total energy = -13.105145353554832

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: -13.105145
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5726976486330386, total energy = -13.105145353554835

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: -13.105145
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.572697658045216, total energy = -13.105145353554812

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: -13.105145
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.57269773632288, total energy = -13.10514535355471

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: -13.105145
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5726976600475613, total energy = -13.105145353554887

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: -13.105145
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.572697660420089, total energy = -13.105145353554839

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: -13.105145
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5726976416073732, total energy = -13.105145353554798

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: -13.105145
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.5726976767182332, total energy = -13.105145353554848

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: -13.105145
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.572697680850979, total energy = -13.105145353554878

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: -13.105145
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.572697680263078, total energy = -13.105145353554795

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: -13.105145
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5726976634934537, total energy = -13.105145353554855

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: -13.105145
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5726976349949853, total energy = -13.10514535355484

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: -13.105145
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5726976767182324, total energy = -13.105145353554859

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: -13.105145
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5726976479636505, total energy = -13.105145353554802

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: -13.105145
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5726976443896943, total energy = -13.105145353554784

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: -13.105145
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.572697661886922, total energy = -13.105145353554837

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: -13.105145
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5726976704056153, total energy = -13.105145353554821

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: -13.105145
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.5726976748788695, total energy = -13.105145353554864

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: -13.105145
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5726976692676544, total energy = -13.105145353554851

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: -13.105145
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.572697666380549, total energy = -13.105145353554839

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: -13.105145
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5726976878533594, total energy = -13.105145353554827

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: -13.105145
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5726976439997102, total energy = -13.10514535355478

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: -13.105145
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.572697650361803, total energy = -13.10514535355482

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: -13.105145
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5726976850419305, total energy = -13.105145353554843

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: -13.105145
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.572697636182414, total energy = -13.105145353554825

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: -13.105145
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.5726977156358752, total energy = -13.105145353554777

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 = [2.57269766] Angstroms and c = 3.3609581491033547 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 81
         Function evaluations: 165
Results for this minimization:
  a = 2.568900692788258, c = 4.211179311514117, total energy = -13.105455496686373

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 3.5710180334223143 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 65
         Function evaluations: 145
Results for this minimization:
  a = 2.568900737651342, c = 4.211179353386086, total energy = -13.105455496686341

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 3.781077917741274 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 65
         Function evaluations: 138
Results for this minimization:
  a = 2.568900684753566, c = 4.211179329863659, total energy = -13.105455496686371

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 3.9911378020602335 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 2.5689006736455715, c = 4.211179364339241, total energy = -13.105455496686384

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 4.201197686379193 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.5689007273647855, c = 4.211179182874617, total energy = -13.105455496686314

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 4.411257570698153 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 2.5689006799091274, c = 4.211179360487676, total energy = -13.105455496686384

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 4.621317455017112 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 2.5689007012432667, c = 4.211179373726145, total energy = -13.105455496686364

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 4.831377339336072 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.5689006936988488, c = 4.211179414685604, total energy = -13.105455496686394

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 5.0414372236550316 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.5689007087777247, c = 4.211179369488849, total energy = -13.105455496686355

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

 Final lattice Constants:
   a = 2.5689006936988488 Angstroms, c = 4.211179414685604 Angstroms, c/a = 1.639292

 Total energy: -13.105455496686394 eV

 Cohesive energy: -3.2763638741715986 eV/atom

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