Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_003
Computed model cutoff of 6.509700002148779 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ni

==============================================================================
==============================================================================
 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: -15.745359
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.511667180061343, total energy = -15.745358751468974

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: -15.745359
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5116672024596483, total energy = -15.745358751469

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: -15.745359
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.511667209677398, total energy = -15.745358751468983

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: -15.745359
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5116672545671506, total energy = -15.745358751468945

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: -15.745359
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5116672297706852, total energy = -15.745358751468965

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: -15.745359
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.511667235521602, total energy = -15.745358751468949

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: -15.745359
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5116672150092203, total energy = -15.745358751468997

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: -15.745359
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.511667224112898, total energy = -15.745358751468956

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: -15.745359
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5116672039031984, total energy = -15.745358751468983

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: -15.745359
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5116671882569785, total energy = -15.74535875146896

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: -15.745359
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5116672204807404, total energy = -15.74535875146897

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: -15.745359
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.5116672063246375, total energy = -15.745358751468961

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: -15.745359
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5116672029253095, total energy = -15.745358751468968

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: -15.745359
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5116672190837552, total energy = -15.745358751468967

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: -15.745359
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.511667192075401, total energy = -15.745358751468968

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: -15.745359
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5116672091186047, total energy = -15.74535875146899

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: -15.745359
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.511667214613407, total energy = -15.745358751468984

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: -15.745359
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5116671808063984, total energy = -15.745358751468933

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: -15.745359
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.511667238548398, total energy = -15.745358751468942

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: -15.745359
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5116671851981662, total energy = -15.745358751468954

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: -15.745359
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5116672191652465, total energy = -15.745358751468988

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: -15.745359
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5116671920753997, total energy = -15.74535875146896

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: -15.745359
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.511667198879877, total energy = -15.745358751468999

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: -15.745359
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5116671932802963, total energy = -15.74535875146896

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: -15.745359
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.511667215824125, total energy = -15.745358751468968

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: -15.745359
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 2.5116672545671483, total energy = -15.745358751468935

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: -15.745359
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5116672135889493, total energy = -15.745358751468965

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: -15.745359
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5116671845316887, total energy = -15.745358751468961

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: -15.745359
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5116671852767425, total energy = -15.745358751468954

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: -15.745359
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5116672155098043, total energy = -15.745358751468974

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: -15.745359
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5116672027856137, total energy = -15.745358751468984

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: -15.745359
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5116671852767434, total energy = -15.74535875146896

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: -15.745359
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5116672166623175, total energy = -15.74535875146899

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: -15.745359
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.511667211540038, total energy = -15.745358751468977

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: -15.745359
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.511667218839281, total energy = -15.74535875146897

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: -15.745359
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5116672259755446, total energy = -15.745358751468958

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: -15.745359
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.511667193355966, total energy = -15.74535875146897

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: -15.745359
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.511667213984765, total energy = -15.745358751468954

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: -15.745359
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.5116672136704388, total energy = -15.745358751468986

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: -15.745359
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.5116672043222925, total energy = -15.745358751468965

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: -15.745359
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5116671908646735, total energy = -15.745358751468968

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: -15.745359
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5116671945957894, total energy = -15.745358751468979

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: -15.745359
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5116672267904505, total energy = -15.745358751468963

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: -15.745359
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5116671914234736, total energy = -15.74535875146896

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: -15.745359
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.5116672070696877, total energy = -15.745358751468954

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: -15.745359
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.51166718453168, total energy = -15.74535875146895

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.5116672] Angstroms and c = 3.2812282931785752 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.745840
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.515024123900443, c = 4.090470704985434, total energy = -15.745840258899356

Attempting to perform relaxation using initial lattice constant guess of a = [2.5116672] Angstroms and c = 3.486305061502236 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.745840
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.5150241061607064, c = 4.090470683313283, total energy = -15.745840258899355

Attempting to perform relaxation using initial lattice constant guess of a = [2.5116672] Angstroms and c = 3.6913818298258967 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.745840
         Iterations: 74
         Function evaluations: 152
Results for this minimization:
  a = 2.5150241052501396, c = 4.090470676797616, total energy = -15.745840258899339

Attempting to perform relaxation using initial lattice constant guess of a = [2.5116672] Angstroms and c = 3.8964585981495574 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.745840
         Iterations: 65
         Function evaluations: 138
Results for this minimization:
  a = 2.5150241168610004, c = 4.09047063547949, total energy = -15.745840258899351

Attempting to perform relaxation using initial lattice constant guess of a = [2.5116672] Angstroms and c = 4.101535366473218 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.745840
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.5150241145109367, c = 4.090470662567487, total energy = -15.745840258899358

Attempting to perform relaxation using initial lattice constant guess of a = [2.5116672] Angstroms and c = 4.306612134796879 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.745840
         Iterations: 69
         Function evaluations: 141
Results for this minimization:
  a = 2.515024101647339, c = 4.090470650565373, total energy = -15.745840258899346

Attempting to perform relaxation using initial lattice constant guess of a = [2.5116672] Angstroms and c = 4.51168890312054 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.745840
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.5150240928214664, c = 4.09047068608074, total energy = -15.745840258899335

Attempting to perform relaxation using initial lattice constant guess of a = [2.5116672] Angstroms and c = 4.7167656714442 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.745840
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 2.515024142300626, c = 4.090470710218401, total energy = -15.745840258899317

Attempting to perform relaxation using initial lattice constant guess of a = [2.5116672] Angstroms and c = 4.921842439767861 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.745840
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.5150241348854356, c = 4.090470632451285, total energy = -15.74584025889935

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

 Final lattice Constants:
   a = 2.5150241145109367 Angstroms, c = 4.090470662567487 Angstroms, c/a = 1.626414

 Total energy: -15.745840258899358 eV

 Cohesive energy: -3.9364600647248396 eV/atom

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