Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: Sim_LAMMPS_HybridOverlay_BelandLuOsetskiy_2016_CoNi__SM_445377835613_000
Computed model cutoff of 5.167809369564074 Angstroms
Computed isolated atomic energy of -0.027261401751976073 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: -17.595711
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4908792465925247, total energy = -17.595710504485176

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: -17.595711
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.490879267454147, total energy = -17.5957105044852

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: -17.595711
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4908792674541473, total energy = -17.595710504485204

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: -17.595711
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4908792465925265, total energy = -17.59571050448519

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: -17.595711
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.490879266336562, total energy = -17.59571050448519

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: -17.595711
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4908792637113963, total energy = -17.59571050448519

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: -17.595711
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4908792525529857, total energy = -17.595710504485183

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: -17.595711
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4908792674541473, total energy = -17.595710504485183

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: -17.595711
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4908792514353997, total energy = -17.595710504485194

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: -17.595711
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4908792510628706, total energy = -17.595710504485186

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: -17.595711
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.490879267454148, total energy = -17.59571050448519

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: -17.595711
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.490879269689321, total energy = -17.595710504485197

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: -17.595711
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.490879252552986, total energy = -17.595710504485186

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: -17.595711
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4908792671398245, total energy = -17.59571050448518

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: -17.595711
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4908792670816178, total energy = -17.595710504485183

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: -17.595711
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.49087926687207, total energy = -17.595710504485186

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: -17.595711
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4908792674541456, total energy = -17.595710504485186

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: -17.595711
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.490879279503133, total energy = -17.595710504485186

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: -17.595711
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4908792503934816, total energy = -17.59571050448517

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: -17.595711
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4908792701258777, total energy = -17.5957105044852

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: -17.595711
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.490879252552985, total energy = -17.595710504485194

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: -17.595711
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.490879285521803, total energy = -17.59571050448519

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: -17.595711
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4908792674541473, total energy = -17.595710504485183

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: -17.595711
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.49087925329804, total energy = -17.595710504485183

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: -17.595711
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4908792704343785, total energy = -17.59571050448519

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: -17.595711
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.490879287570716, total energy = -17.59571050448517

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: -17.595711
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.490879251062867, total energy = -17.595710504485172

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: -17.595711
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.490879252552986, total energy = -17.595710504485183

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: -17.595711
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.490879250690336, total energy = -17.595710504485176

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: -17.595711
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4908792696893203, total energy = -17.595710504485186

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: -17.595711
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4908792723435926, total energy = -17.595710504485183

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: -17.595711
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4908792733214757, total energy = -17.595710504485197

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: -17.595711
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4908792674541473, total energy = -17.59571050448518

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: -17.595711
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.490879253298038, total energy = -17.595710504485176

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: -17.595711
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.490879262983796, total energy = -17.595710504485172

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 3.2540710486081124 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.4818957816791563, c = 4.104843026933164, total energy = -17.59894636907147

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 3.4574504891461193 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 2.481895771947619, c = 4.104842898319321, total energy = -17.598946369071474

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 3.6608299296841262 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.4818957694542885, c = 4.104842953819718, total energy = -17.598946369071488

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 3.864209370222133 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.4818957788126794, c = 4.104842931982926, total energy = -17.598946369071477

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 4.067588810760141 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.4818957692428287, c = 4.104842962094333, total energy = -17.598946369071477

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 4.270968251298147 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 64
         Function evaluations: 137
Results for this minimization:
  a = 2.4818957865637676, c = 4.104842980474304, total energy = -17.598946369071477

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 4.474347691836154 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 65
         Function evaluations: 141
Results for this minimization:
  a = 2.4818957653067266, c = 4.104842937684512, total energy = -17.59894636907147

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 4.6777271323741605 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.481895782024271, c = 4.104842980790011, total energy = -17.598946369071474

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 4.881106572912168 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 77
         Function evaluations: 157
Results for this minimization:
  a = 2.481895773986488, c = 4.104842979679665, total energy = -17.598946369071488

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

 Final lattice Constants:
   a = 2.4818957694542885 Angstroms, c = 4.104842953819718 Angstroms, c/a = 1.653914

 Total energy: -17.598946369071488 eV

 Cohesive energy: -4.399736592267872 eV/atom

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