Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_005
Computed model cutoff of 5.583932114094504 Angstroms
Computed isolated atomic energy of 0.0 eV for species Al

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

Optimization terminated successfully.
         Current function value: -13.541089
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8640829385258293, total energy = -13.54108948625851

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: -13.541089
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.8640830099582666, total energy = -13.541089486258478

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: -13.541089
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8640829698415473, total energy = -13.54108948625851

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: -13.541089
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8640829622745576, total energy = -13.541089486258478

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: -13.541089
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8640830099582706, total energy = -13.541089486258484

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: -13.541089
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.864082975534258, total energy = -13.541089486258484

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: -13.541089
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.864082942530512, total energy = -13.541089486258462

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: -13.541089
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.864082958549261, total energy = -13.541089486258532

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: -13.541089
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8640829384326953, total energy = -13.541089486258501

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: -13.541089
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.864082938432695, total energy = -13.5410894862585

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: -13.541089
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8640830099582675, total energy = -13.541089486258475

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: -13.541089
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.86408295854926, total energy = -13.541089486258528

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: -13.541089
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8640829698415473, total energy = -13.541089486258503

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: -13.541089
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8640829462383413, total energy = -13.541089486258468

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: -13.541089
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.8640829622745523, total energy = -13.541089486258475

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: -13.541089
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8640829162672166, total energy = -13.541089486258468

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: -13.541089
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.864083009958267, total energy = -13.541089486258475

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: -13.541089
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.864082995802164, total energy = -13.541089486258505

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: -13.541089
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8640829755342554, total energy = -13.541089486258489

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: -13.541089
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.864082985231652, total energy = -13.541089486258462

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: -13.541089
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.864082942530512, total energy = -13.541089486258464

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: -13.541089
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8640829410694986, total energy = -13.541089486258485

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: -13.541089
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.864082958549261, total energy = -13.541089486258524

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: -13.541089
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.864083032147024, total energy = -13.541089486258445

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: -13.541089
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.864082938432692, total energy = -13.54108948625849

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: -13.541089
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8640830276475766, total energy = -13.541089486258484

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: -13.541089
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8640829384326913, total energy = -13.541089486258494

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: -13.541089
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8640829757787287, total energy = -13.541089486258503

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: -13.541089
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 2.864083009958263, total energy = -13.541089486258473

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: -13.541089
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8640829620417194, total energy = -13.541089486258524

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: -13.541089
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.864082958549263, total energy = -13.541089486258526

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: -0.524832
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 5.094240675168114, total energy = -0.5248317164461836

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: -13.541089
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8640829698415473, total energy = -13.541089486258498

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: -0.524832
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 5.094240673712921, total energy = -0.5248317164461838

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: -13.541089
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8640829451382137, total energy = -13.541089486258453

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: -0.524832
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 5.0942406718269915, total energy = -0.5248317164461836

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: -13.541089
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.8640829705982442, total energy = -13.541089486258482

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: -13.541089
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8640829694631975, total energy = -13.541089486258503

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86408296] Angstroms and c = 3.741622309038141 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.541101
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.863133081058744, c = 4.680524419234494, total energy = -13.541101338668055

Attempting to perform relaxation using initial lattice constant guess of a = [2.86408296] Angstroms and c = 3.9754737033530247 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.541101
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.86313306910089, c = 4.68052454852106, total energy = -13.541101338668096

Attempting to perform relaxation using initial lattice constant guess of a = [2.86408296] Angstroms and c = 4.209325097667909 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.541101
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.863133055042225, c = 4.680524637011091, total energy = -13.54110133866808

Attempting to perform relaxation using initial lattice constant guess of a = [2.86408296] Angstroms and c = 4.4431764919827925 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.541101
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.8631330733611016, c = 4.680524542268333, total energy = -13.541101338668073

Attempting to perform relaxation using initial lattice constant guess of a = [2.86408296] Angstroms and c = 4.677027886297676 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.541101
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.8631330072184893, c = 4.68052469528231, total energy = -13.541101338668081

Attempting to perform relaxation using initial lattice constant guess of a = [2.86408296] Angstroms and c = 4.91087928061256 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.541101
         Iterations: 70
         Function evaluations: 145
Results for this minimization:
  a = 2.863133058670261, c = 4.680524441277091, total energy = -13.541101338668067

Attempting to perform relaxation using initial lattice constant guess of a = [2.86408296] Angstroms and c = 5.144730674927445 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.541101
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.8631331212408666, c = 4.680524510829752, total energy = -13.541101338668069

Attempting to perform relaxation using initial lattice constant guess of a = [2.86408296] Angstroms and c = 5.378582069242328 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.541101
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.8631330500211005, c = 4.6805246724142, total energy = -13.5411013386681

Attempting to perform relaxation using initial lattice constant guess of a = [2.86408296] Angstroms and c = 5.6124334635572115 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.541101
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 2.8631330569637283, c = 4.680524708312468, total energy = -13.541101338668087

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

 Final lattice Constants:
   a = 2.8631330500211005 Angstroms, c = 4.6805246724142 Angstroms, c/a = 1.634756

 Total energy: -13.5411013386681 eV

 Cohesive energy: -3.385275334667025 eV/atom

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