Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000
Computed model cutoff of 5.999654973112088 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))

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))

Optimization terminated successfully.
         Current function value: -17.410200
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4946350308600813, total energy = -17.41020009463334

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: -17.410200
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4946350577578467, total energy = -17.41020009463337

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: -17.410200
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4946350310463474, total energy = -17.410200094633314

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: -17.410200
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.494635077286514, total energy = -17.410200094633414

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: -17.410200
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4946350544691085, total energy = -17.410200094633232

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: -17.410200
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4946350306272507, total energy = -17.410200094633307

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: -17.410200
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4946350097656262, total energy = -17.410200094633254

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: -17.410200
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4946350740268834, total energy = -17.410200094633282

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: -17.410200
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.494635023083538, total energy = -17.410200094633392

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: -17.410200
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4946350287296823, total energy = -17.410200094633282

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: -17.410200
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4946350308600813, total energy = -17.41020009463334

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: -17.410200
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.494635077286511, total energy = -17.410200094633286

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: -17.410200
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4946350617276036, total energy = -17.410200094633353

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: -17.410200
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.4946350486075968, total energy = -17.410200094633367

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: -17.410200
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4946350647136555, total energy = -17.41020009463332

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: -17.410200
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4946350941900164, total energy = -17.410200094633346

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: -17.410200
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4946350660873575, total energy = -17.410200094633353

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: -17.410200
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.494635032041696, total energy = -17.41020009463329

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: -17.410200
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4946350544691076, total energy = -17.410200094633268

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: -17.410200
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4946350403974042, total energy = -17.410200094633378

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: -17.410200
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.4946350306272507, total energy = -17.410200094633314

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: -17.410200
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4946350464771925, total energy = -17.410200094633293

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: -17.410200
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.494635054748504, total energy = -17.410200094633293

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: -17.410200
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.494635077286513, total energy = -17.41020009463332

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: -17.410200
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4946350613608925, total energy = -17.410200094633293

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: -17.410200
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4946350785903633, total energy = -17.410200094633353

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: -17.410200
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4946350306272453, total energy = -17.410200094633307

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: -17.410200
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.49463503002189, total energy = -17.410200094633314

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: -17.410200
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4946350287296832, total energy = -17.410200094633257

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: -17.410200
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.49463507365435, total energy = -17.4102000946333

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: -17.410200
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4946350308600813, total energy = -17.41020009463333

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: -17.410200
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.494635012676002, total energy = -17.41020009463325

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: -17.410200
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4946350772865094, total energy = -17.410200094633307

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: -17.410200
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.4946350676007594, total energy = -17.410200094633286

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: -17.410200
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4946350886835678, total energy = -17.410200094633424

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: -17.410200
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.494635026436299, total energy = -17.41020009463342

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: -17.410200
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4946351060410894, total energy = -17.41020009463329

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: -17.410200
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4946350212150694, total energy = -17.410200094633353

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 = [2.49463509] Angstroms and c = 3.2589776329159483 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 2.4858863353427423, c = 4.120416273660442, total energy = -17.413489560561096

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463509] Angstroms and c = 3.4626637349731952 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.4858864278633552, c = 4.120416142539815, total energy = -17.413489560561057

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463509] Angstroms and c = 3.666349837030442 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.485886316311591, c = 4.120416376950125, total energy = -17.413489560561107

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463509] Angstroms and c = 3.870035939087689 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.4858864014423094, c = 4.120416108066439, total energy = -17.41348956056113

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463509] Angstroms and c = 4.073722041144936 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 61
         Function evaluations: 135
Results for this minimization:
  a = 2.485886320979988, c = 4.120416202622679, total energy = -17.413489560561036

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463509] Angstroms and c = 4.277408143202183 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.485886382570536, c = 4.120416100206725, total energy = -17.413489560561143

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463509] Angstroms and c = 4.481094245259429 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.485886350790979, c = 4.120416041411787, total energy = -17.41348956056116

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463509] Angstroms and c = 4.684780347316677 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 75
         Function evaluations: 165
Results for this minimization:
  a = 2.4858863768290185, c = 4.120416126213527, total energy = -17.41348956056115

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463509] Angstroms and c = 4.888466449373924 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 70
         Function evaluations: 158
Results for this minimization:
  a = 2.4858863737610104, c = 4.120415993318756, total energy = -17.413489560561192

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

 Final lattice Constants:
   a = 2.4858863737610104 Angstroms, c = 4.120415993318756 Angstroms, c/a = 1.657524

 Total energy: -17.413489560561192 eV

 Cohesive energy: -4.353372390140298 eV/atom

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