Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
Computed model cutoff of 5.170042648315448 Angstroms
Computed isolated atomic energy of -0.02254965015409191 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))

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: -17.618039
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4908685584552637, total energy = -17.618039340556532

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: -17.618039
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4908685397356765, total energy = -17.618039340556532

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: -17.618039
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4908685380243707, total energy = -17.618039340556486

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: -17.618039
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.49086855542846, total energy = -17.61803934055649

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: -17.618039
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.490868562454125, total energy = -17.61803934055653

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: -17.618039
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4908685443922893, total energy = -17.618039340556496

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: -17.618039
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4908685546368368, total energy = -17.618039340556546

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: -17.618039
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4908685423899453, total energy = -17.618039340556514

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: -17.618039
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.4908685534086534, total energy = -17.61803934055651

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: -17.618039
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.4908685381524265, total energy = -17.61803934055651

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: -17.618039
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4908685599919407, total energy = -17.618039340556514

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: -17.618039
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.490868574718479, total energy = -17.618039340556486

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: -17.618039
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.490868564695119, total energy = -17.618039340556518

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: -17.618039
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.4908685391768794, total energy = -17.618039340556514

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: -17.618039
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4908685497939587, total energy = -17.618039340556503

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: -17.618039
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4908685587579376, total energy = -17.618039340556496

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: -17.618039
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4908685226924714, total energy = -17.618039340556482

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: -17.618039
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.4908685616217543, total energy = -17.618039340556518

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: -17.618039
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.490868555102494, total energy = -17.618039340556514

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: -17.618039
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.4908685497939587, total energy = -17.618039340556507

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: -17.618039
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.490868570937888, total energy = -17.618039340556496

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: -17.618039
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.490868538618087, total energy = -17.618039340556503

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: -17.618039
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4908685599919416, total energy = -17.6180393405565

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: -17.618039
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.490868554636833, total energy = -17.618039340556525

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 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 = 4.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.5 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 = 4.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -17.618039
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4908685391768794, total energy = -17.618039340556507

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: -17.618039
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.490868555731141, total energy = -17.618039340556532

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: -17.618039
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 2.4908685556176327, total energy = -17.618039340556507

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: -17.618039
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4908685386180878, total energy = -17.61803934055651

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: -17.618039
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4908685540780366, total energy = -17.61803934055651

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: -17.618039
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.490868559991939, total energy = -17.618039340556507

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49086855] Angstroms and c = 3.2540570534421827 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621274
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.4818884965028523, c = 4.104808912103422, total energy = -17.62127448421289

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086855] Angstroms and c = 3.457435619282319 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621274
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.4818885035345186, c = 4.10480903159184, total energy = -17.621274484212886

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086855] Angstroms and c = 3.6608141851224554 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621274
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.4818884858268095, c = 4.104809001303847, total energy = -17.62127448421288

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086855] Angstroms and c = 3.8641927509625917 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621274
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 2.4818885340134895, c = 4.1048089262295, total energy = -17.62127448421286

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086855] Angstroms and c = 4.067571316802728 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621274
         Iterations: 59
         Function evaluations: 133
Results for this minimization:
  a = 2.4818885013362015, c = 4.104809023003512, total energy = -17.62127448421286

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086855] Angstroms and c = 4.2709498826428645 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621274
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.481888510013901, c = 4.104809024521884, total energy = -17.621274484212883

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086855] Angstroms and c = 4.474328448483001 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621274
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.481888498620549, c = 4.104809059318622, total energy = -17.62127448421288

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086855] Angstroms and c = 4.677707014323137 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621274
         Iterations: 64
         Function evaluations: 139
Results for this minimization:
  a = 2.4818884692924583, c = 4.104808993282634, total energy = -17.621274484212886

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086855] Angstroms and c = 4.8810855801632735 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621274
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.4818884794453124, c = 4.104808984047814, total energy = -17.621274484212897

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

 Final lattice Constants:
   a = 2.4818884794453124 Angstroms, c = 4.104808984047814 Angstroms, c/a = 1.653905

 Total energy: -17.621274484212897 eV

 Cohesive energy: -4.405318621053224 eV/atom

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