Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
Computed model cutoff of 5.515032265931377 Angstroms
Computed isolated atomic energy of -2.6710598878820768e-05 eV for species Cu

==============================================================================
==============================================================================
 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: -14.128497
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5538288369774853, total energy = -14.12849741117834

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: -14.128497
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5538288547657433, total energy = -14.128497411178346

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: -14.128497
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5538288350217044, total energy = -14.128497411178333

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: -14.128497
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.553828833531593, total energy = -14.128497411178326

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: -14.128497
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.553828844428065, total energy = -14.128497411178339

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: -14.128497
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5538288787007346, total energy = -14.12849741117833

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: -14.128497
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.5538288530427975, total energy = -14.128497411178342

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: -14.128497
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.553828844043892, total energy = -14.128497411178339

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: -14.128497
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5538288444280646, total energy = -14.128497411178342

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: -14.128497
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.553828858211637, total energy = -14.128497411178344

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: -14.128497
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5538288581185045, total energy = -14.128497411178344

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: -14.128497
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5538288732990617, total energy = -14.128497411178337

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: -14.128497
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.5538288350217044, total energy = -14.128497411178323

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: -14.128497
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5538288690149784, total energy = -14.128497411178333

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: -14.128497
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.553828862216322, total energy = -14.128497411178333

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: -14.128497
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.55382885960862, total energy = -14.128497411178342

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: -14.128497
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5538288690149775, total energy = -14.128497411178337

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: -14.128497
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.553828861564398, total energy = -14.128497411178332

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: -14.128497
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5538288690149775, total energy = -14.12849741117834

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: -14.128497
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5538288581185036, total energy = -14.12849741117835

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: -14.128497
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5538288429379463, total energy = -14.128497411178332

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: -14.128497
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.553828865010289, total energy = -14.128497411178339

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: -14.128497
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5538288368843496, total energy = -14.128497411178325

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: -14.128497
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.55382886023726, total energy = -14.128497411178323

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: -14.128497
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.553828844428062, total energy = -14.128497411178339

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: -14.128497
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.5538288698357077, total energy = -14.128497411178344

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: -14.128497
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5538288582116335, total energy = -14.12849741117833

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: -14.128497
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5538288690149784, total energy = -14.128497411178333

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: -14.128497
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5538288354873617, total energy = -14.128497411178323

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: -14.128497
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.553828866407274, total energy = -14.12849741117834

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: -14.128497
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5538288573734476, total energy = -14.128497411178335

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: -14.128497
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5538288599345798, total energy = -14.128497411178342

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: -14.128497
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5538288429379463, total energy = -14.128497411178332

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: -14.128497
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5538288665265956, total energy = -14.128497411178333

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: -14.128497
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5538288690149766, total energy = -14.12849741117833

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: -0.000000
         Iterations: 34
         Function evaluations: 85
Results for this minimization:
  a = 5.50891263484955, total energy = -1.1179717226842203e-12

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.775, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.625, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55382886] Angstroms and c = 3.3363080494853072 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128606
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 2.5561043862778967, c = 4.162383997029213, total energy = -14.12860614497738

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382886] Angstroms and c = 3.544827302578139 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128606
         Iterations: 64
         Function evaluations: 146
Results for this minimization:
  a = 2.5561043843259235, c = 4.162384056552652, total energy = -14.128606144977383

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382886] Angstroms and c = 3.753346555670971 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128606
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.5561043842142595, c = 4.1623840369155864, total energy = -14.128606144977388

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382886] Angstroms and c = 3.961865808763803 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128606
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.556104404312615, c = 4.162384019316427, total energy = -14.128606144977375

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382886] Angstroms and c = 4.170385061856635 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128606
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.5561044002876, c = 4.1623840899966345, total energy = -14.128606144977375

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382886] Angstroms and c = 4.378904314949467 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128606
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.5561043951433726, c = 4.162384051328007, total energy = -14.128606144977379

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382886] Angstroms and c = 4.587423568042299 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128606
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.556104389105117, c = 4.162384022928059, total energy = -14.12860614497738

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382886] Angstroms and c = 4.795942821135131 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128606
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.5561043764306186, c = 4.162384042349677, total energy = -14.128606144977383

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382886] Angstroms and c = 5.004462074227963 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128606
         Iterations: 77
         Function evaluations: 164
Results for this minimization:
  a = 2.5561043762369624, c = 4.162384061350716, total energy = -14.128606144977388

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

 Final lattice Constants:
   a = 2.5561043842142595 Angstroms, c = 4.1623840369155864 Angstroms, c/a = 1.628409

 Total energy: -14.128606144977388 eV

 Cohesive energy: -3.532151536244347 eV/atom

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