Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
Computed model cutoff of 5.179112029299158 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))

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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -17.707289
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4885165597544994, total energy = -17.70728886540533

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: -17.707289
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4885165484622136, total energy = -17.70728886540531

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: -17.707289
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4885165691375737, total energy = -17.70728886540533

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: -17.707289
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.488516584970057, total energy = -17.70728886540533

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: -17.707289
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.488516569137574, total energy = -17.70728886540533

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: -17.707289
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.488516570301728, total energy = -17.7072888654053

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: -17.707289
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.488516573235393, total energy = -17.707288865405335

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: -17.707289
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.48851658643689, total energy = -17.70728886540534

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: -17.707289
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.4885165691375732, total energy = -17.707288865405328

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: -17.707289
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.488516562618315, total energy = -17.707288865405328

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: -17.707289
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.48851658841595, total energy = -17.70728886540535

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: -17.707289
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4885165598243466, total energy = -17.707288865405307

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: -17.707289
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4885165760293586, total energy = -17.707288865405314

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: -17.707289
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.4885165691375732, total energy = -17.70728886540533

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: -17.707289
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4885165458894334, total energy = -17.707288865405275

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: -17.707289
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.488516576588153, total energy = -17.707288865405307

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: -17.707289
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.488516569137573, total energy = -17.70728886540532

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: -17.707289
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.488516561570575, total energy = -17.707288865405303

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: -17.707289
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4885165877640247, total energy = -17.70728886540532

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: -17.707289
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4885165546089376, total energy = -17.707288865405307

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: -17.707289
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4885165691375724, total energy = -17.707288865405324

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: -17.707289
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.4885165510233493, total energy = -17.7072888654053

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: -17.707289
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4885165790095902, total energy = -17.70728886540532

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: -17.707289
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.4885165687301196, total energy = -17.707288865405328

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: -17.707289
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4885165732353873, total energy = -17.7072888654053

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: -17.707289
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4885165650106478, total energy = -17.70728886540531

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: -17.707289
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4885165873216484, total energy = -17.707288865405346

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: -17.707289
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.488516567682378, total energy = -17.707288865405314

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: -17.707289
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4885165691375732, total energy = -17.70728886540533

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: -17.707289
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.4885165757033922, total energy = -17.707288865405314

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: -17.707289
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4885165626183134, total energy = -17.707288865405296

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.48851659] Angstroms and c = 3.250984457637684 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.707819
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.484713806181029, c = 4.080999843540325, total energy = -17.70781933237857

Attempting to perform relaxation using initial lattice constant guess of a = [2.48851659] Angstroms and c = 3.4541709862400394 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.707819
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.4847137724812516, c = 4.080999898009315, total energy = -17.707819332378584

Attempting to perform relaxation using initial lattice constant guess of a = [2.48851659] Angstroms and c = 3.6573575148423947 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.707819
         Iterations: 76
         Function evaluations: 154
Results for this minimization:
  a = 2.484713777815313, c = 4.080999903958558, total energy = -17.707819332378577

Attempting to perform relaxation using initial lattice constant guess of a = [2.48851659] Angstroms and c = 3.86054404344475 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.707819
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.484713787123675, c = 4.08099992885063, total energy = -17.707819332378598

Attempting to perform relaxation using initial lattice constant guess of a = [2.48851659] Angstroms and c = 4.063730572047105 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.707819
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.4847137858326915, c = 4.080999881000093, total energy = -17.707819332378584

Attempting to perform relaxation using initial lattice constant guess of a = [2.48851659] Angstroms and c = 4.266917100649461 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.707819
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.4847137634125676, c = 4.080999914832303, total energy = -17.707819332378552

Attempting to perform relaxation using initial lattice constant guess of a = [2.48851659] Angstroms and c = 4.470103629251816 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.707819
         Iterations: 63
         Function evaluations: 144
Results for this minimization:
  a = 2.4847137841092266, c = 4.080999930023245, total energy = -17.707819332378577

Attempting to perform relaxation using initial lattice constant guess of a = [2.48851659] Angstroms and c = 4.673290157854171 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.707819
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.484713770222122, c = 4.081000025549809, total energy = -17.70781933237855

Attempting to perform relaxation using initial lattice constant guess of a = [2.48851659] Angstroms and c = 4.8764766864565265 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.707819
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.484713803044283, c = 4.080999964278067, total energy = -17.70781933237859

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

 Final lattice Constants:
   a = 2.484713787123675 Angstroms, c = 4.08099992885063 Angstroms, c/a = 1.642443

 Total energy: -17.707819332378598 eV

 Cohesive energy: -4.4269548330946495 eV/atom

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