Element = Lattice = Model = Element: Cs
Lattice: hcp
Model: EAM_Dynamo_NicholAckland_2016v2_Cs__MO_144828415103_000
Computed model cutoff of 7.9826157283782955 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cs

==============================================================================
==============================================================================
 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: -3.088227
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.379570066928872, total energy = -3.0882274408918042

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: -3.088227
         Iterations: 43
         Function evaluations: 93
Results for this minimization:
  a = 5.379569989233277, total energy = -3.088227440891803

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: -3.088227
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.3795700669288635, total energy = -3.0882274408918025

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: -3.088227
         Iterations: 42
         Function evaluations: 87
Results for this minimization:
  a = 5.379570051888023, total energy = -3.0882274408918016

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: -3.088227
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 5.379570042248824, total energy = -3.0882274408918025

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: -3.088227
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.379570062831049, total energy = -3.0882274408918007

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: -3.088227
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 5.379569970909505, total energy = -3.0882274408918016

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: -3.088227
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 5.379570057615638, total energy = -3.0882274408918025

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: -3.088227
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.3795700550079415, total energy = -3.0882274408918016

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: -3.088227
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 5.3795700569637175, total energy = -3.0882274408918016

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: -3.088227
         Iterations: 42
         Function evaluations: 93
Results for this minimization:
  a = 5.379569963039829, total energy = -3.0882274408917993

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: -3.088227
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 5.379570095520462, total energy = -3.0882274408918

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: -3.088227
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 5.379570057615638, total energy = -3.0882274408918025

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: -3.088227
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.379569968627771, total energy = -3.088227440891802

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: -3.088227
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 5.379570052400243, total energy = -3.088227440891804

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: -3.088227
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 5.37957004159689, total energy = -3.088227440891803

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: -3.088227
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.3795700249262195, total energy = -3.088227440891801

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: -3.088227
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 5.379570033401251, total energy = -3.0882274408918033

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: -3.088227
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 5.379570062831047, total energy = -3.088227440891804

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: -3.088227
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 5.379570077243267, total energy = -3.0882274408918025

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: -3.088227
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 5.379570012632756, total energy = -3.0882274408918025

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: -3.088227
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 5.379570017755036, total energy = -3.088227440891801

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: -3.088227
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 5.379569990211166, total energy = -3.0882274408918016

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: -3.088227
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.379570084437729, total energy = -3.0882274408918025

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: -3.088227
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 5.37957005426288, total energy = -3.0882274408918007

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: -3.088227
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 5.379570105671879, total energy = -3.0882274408918002

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: -3.088227
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 5.379570085066375, total energy = -3.0882274408918007

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: -3.088227
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 5.379570057615638, total energy = -3.088227440891802

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: -3.088227
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 5.379570069070905, total energy = -3.0882274408918007

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: -3.088227
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 5.379569993168117, total energy = -3.0882274408918007

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: -3.088227
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 5.3795700893271725, total energy = -3.088227440891803

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: -3.088227
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 5.379570038957174, total energy = -3.0882274408918025

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: -3.088227
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.379570016404614, total energy = -3.088227440891801

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: -3.088227
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 5.379570039652754, total energy = -3.0882274408918016

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: -3.088227
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 5.379569970583543, total energy = -3.088227440891801

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: -3.088227
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 5.379570077802055, total energy = -3.0882274408918002

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: -3.088227
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 5.379570064693689, total energy = -3.0882274408918007

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: -3.088227
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 5.379570052726194, total energy = -3.088227440891801

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: -3.088227
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 5.37957004159689, total energy = -3.088227440891801

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: -3.088227
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 5.3795700307935475, total energy = -3.0882274408918016

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: -3.088227
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 5.379570071026682, total energy = -3.0882274408918025

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 5.379569976124911, total energy = -3.0882274408917993

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 5.379570033401251, total energy = -3.0882274408918047

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.379570036381481, total energy = -3.088227440891801

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 5.379570019245147, total energy = -3.0882274408918007

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 5.379570055007932, total energy = -3.0882274408918007

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 5.379570096731184, total energy = -3.0882274408917993

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.379570053424686, total energy = -3.0882274408918007

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 5.3795700576156325, total energy = -3.088227440891803

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.379570022970439, total energy = -3.0882274408918016

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 5.379570027207953, total energy = -3.088227440891802

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 5.379570035421054, total energy = -3.088227440891801

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 5.379570042248815, total energy = -3.0882274408918007

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 5.3795700362417875, total energy = -3.088227440891801

Attempting to perform relaxation using initial lattice constant guess of a = 7.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 5.3795700671151225, total energy = -3.0882274408918025

Attempting to perform relaxation using initial lattice constant guess of a = 7.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.379570055659856, total energy = -3.088227440891801

Attempting to perform relaxation using initial lattice constant guess of a = 8.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 5.379570028185843, total energy = -3.0882274408918007

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


Attempting to perform relaxation using initial lattice constant guess of a = [5.37957003] Angstroms and c = 7.0278408626134 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 69
         Function evaluations: 155
Results for this minimization:
  a = 5.3795700491156, c = 8.78480100768255, total energy = -3.0882274408918025

Attempting to perform relaxation using initial lattice constant guess of a = [5.37957003] Angstroms and c = 7.467080916526737 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 5.379570091541986, c = 8.784801055425774, total energy = -3.0882274408918007

Attempting to perform relaxation using initial lattice constant guess of a = [5.37957003] Angstroms and c = 7.906320970440075 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 5.379569983315529, c = 8.784801183686955, total energy = -3.0882274408918007

Attempting to perform relaxation using initial lattice constant guess of a = [5.37957003] Angstroms and c = 8.345561024353412 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 5.379570035324189, c = 8.784801075858969, total energy = -3.088227440891801

Attempting to perform relaxation using initial lattice constant guess of a = [5.37957003] Angstroms and c = 8.78480107826675 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 67
         Function evaluations: 150
Results for this minimization:
  a = 5.379570036592101, c = 8.784801074415046, total energy = -3.088227440891802

Attempting to perform relaxation using initial lattice constant guess of a = [5.37957003] Angstroms and c = 9.224041132180087 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 5.3795699940169825, c = 8.78480110915713, total energy = -3.0882274408918016

Attempting to perform relaxation using initial lattice constant guess of a = [5.37957003] Angstroms and c = 9.663281186093425 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 5.379570017694967, c = 8.784801003625631, total energy = -3.0882274408918016

Attempting to perform relaxation using initial lattice constant guess of a = [5.37957003] Angstroms and c = 10.102521240006762 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 5.379570064354853, c = 8.784801105976733, total energy = -3.088227440891803

Attempting to perform relaxation using initial lattice constant guess of a = [5.37957003] Angstroms and c = 10.5417612939201 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.088227
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 5.379570069087238, c = 8.784801188295447, total energy = -3.088227440891802

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

 Final lattice Constants:
   a = [5.37957003] Angstroms, c = [8.78480108] Angstroms, c/a = 1.632993

 Total energy: -3.0882274408918047 eV

 Cohesive energy: -0.7720568602229512 eV/atom

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