Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: EAM_Dynamo_MendelevHanSon_2007_VFe__MO_249706810527_005
Computed model cutoff of 5.299545033499612 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fe

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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -15.585508
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5841415812261452, total energy = -15.585507507820902

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: -15.585508
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.584141572564843, total energy = -15.585507507820962

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: -15.585508
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.584141530655326, total energy = -15.58550750782086

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: -15.585508
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5841415041126323, total energy = -15.585507507820841

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: -15.585508
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.5841414630413055, total energy = -15.585507507820788

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: -15.585508
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.584141567349435, total energy = -15.585507507820932

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: -15.585508
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.584141535905656, total energy = -15.585507507820799

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: -15.585508
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5841415725648416, total energy = -15.585507507820935

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: -15.585508
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.584141574165551, total energy = -15.585507507820804

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: -15.585508
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.584141536615789, total energy = -15.585507507820862

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: -15.585508
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.584141463041305, total energy = -15.585507507820804

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: -15.585508
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.58414158122614, total energy = -15.58550750782091

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: -15.585508
         Iterations: 35
         Function evaluations: 79
Results for this minimization:
  a = 2.5841414924710984, total energy = -15.585507507820774

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: -15.585508
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.584141544066369, total energy = -15.585507507820873

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: -15.585508
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.584141567349434, total energy = -15.585507507820939

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: -15.585508
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5841415306553235, total energy = -15.585507507820875

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: -15.585508
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.5841414451599114, total energy = -15.585507507820735

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: -15.585508
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 2.584141493029892, total energy = -15.585507507820836

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: -15.585508
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5841415486385797, total energy = -15.58550750782086

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: -15.585508
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 2.5841414630413055, total energy = -15.5855075078208

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: -15.585508
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.584141567529874, total energy = -15.585507507820955

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: -15.585508
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.584141567349432, total energy = -15.585507507820923

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: -15.585508
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5841415812261417, total energy = -15.585507507820939

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: -15.585508
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5841415361035587, total energy = -15.585507507820793

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: -15.585508
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 2.584141567349434, total energy = -15.585507507820914

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: -15.585508
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5841415264119814, total energy = -15.585507507820802

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: -15.585508
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5841415406204744, total energy = -15.585507507820882

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: -15.585508
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.584141584672035, total energy = -15.5855075078209

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: -15.585508
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.584141479805108, total energy = -15.585507507820774

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: -15.585508
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5841415368486196, total energy = -15.585507507820871

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: -15.585508
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.584141574360542, total energy = -15.58550750782089

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: -15.585508
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5841414630413033, total energy = -15.585507507820786

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: -15.585508
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.584141613666727, total energy = -15.58550750782083

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.58414157] Angstroms and c = 3.3759084138118265 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.587249
         Iterations: 78
         Function evaluations: 160
Results for this minimization:
  a = 2.605447481319753, c = 4.167549259318982, total energy = -15.587249259253959

Attempting to perform relaxation using initial lattice constant guess of a = [2.58414157] Angstroms and c = 3.5869026896750658 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.587249
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 2.6054474423545417, c = 4.16754956858611, total energy = -15.587249259253971

Attempting to perform relaxation using initial lattice constant guess of a = [2.58414157] Angstroms and c = 3.797896965538305 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.587249
         Iterations: 65
         Function evaluations: 144
Results for this minimization:
  a = 2.60544743756403, c = 4.167549637106665, total energy = -15.587249259253962

Attempting to perform relaxation using initial lattice constant guess of a = [2.58414157] Angstroms and c = 4.008891241401544 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.587249
         Iterations: 65
         Function evaluations: 137
Results for this minimization:
  a = 2.6054475425633834, c = 4.167549423223, total energy = -15.587249259253941

Attempting to perform relaxation using initial lattice constant guess of a = [2.58414157] Angstroms and c = 4.219885517264784 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.587249
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.6054475835887247, c = 4.167549345670675, total energy = -15.58724925925393

Attempting to perform relaxation using initial lattice constant guess of a = [2.58414157] Angstroms and c = 4.430879793128023 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.587249
         Iterations: 65
         Function evaluations: 151
Results for this minimization:
  a = 2.605447415299569, c = 4.167549681285424, total energy = -15.587249259253927

Attempting to perform relaxation using initial lattice constant guess of a = [2.58414157] Angstroms and c = 4.641874068991262 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.587249
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.6054474289983864, c = 4.167549460744208, total energy = -15.587249259253994

Attempting to perform relaxation using initial lattice constant guess of a = [2.58414157] Angstroms and c = 4.852868344854501 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.587249
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.605447431397681, c = 4.167549465466814, total energy = -15.58724925925399

Attempting to perform relaxation using initial lattice constant guess of a = [2.58414157] Angstroms and c = 5.063862620717741 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.587249
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.6054474557026386, c = 4.167549421068697, total energy = -15.587249259253984

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

 Final lattice Constants:
   a = 2.6054474289983864 Angstroms, c = 4.167549460744208 Angstroms, c/a = 1.599552

 Total energy: -15.587249259253994 eV

 Cohesive energy: -3.8968123148134985 eV/atom

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