Element = Lattice = Model = Element: Au
Lattice: hcp
Model: MEAM_LAMMPS_LeeShimBaskes_2003_Au__MO_774911580446_000
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Au

==============================================================================
==============================================================================
 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: -15.683588
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.880674061179165, total energy = -15.683587776169079

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: -15.683588
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8806740615051245, total energy = -15.683587776169075

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: -15.683588
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8806740632280707, total energy = -15.683587776169075

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: -15.683588
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8806740697473345, total energy = -15.683587776169079

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: -15.683588
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8806740575237235, total energy = -15.683587776169079

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: -15.683588
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.880674054031261, total energy = -15.683587776169077

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: -15.683588
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.88067406564951, total energy = -15.683587776169077

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: -15.683588
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8806740638101473, total energy = -15.683587776169079

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: -15.683588
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.880674061179164, total energy = -15.683587776169077

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: -15.683588
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8806740641593946, total energy = -15.683587776169077

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: -15.683588
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.880674055218698, total energy = -15.683587776169073

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: -15.683588
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8806740640429767, total energy = -15.683587776169079

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: -15.683588
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.880674064042978, total energy = -15.683587776169079

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: -15.683588
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.8806740552186962, total energy = -15.683587776169077

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: -15.683588
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.880674067762448, total energy = -15.683587776169075

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: -15.683588
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.8806740610045383, total energy = -15.683587776169077

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: -15.683588
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.8806740620639166, total energy = -15.683587776169079

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: -15.683588
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.880674065090716, total energy = -15.683587776169075

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: -15.683588
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.880674058571457, total energy = -15.683587776169077

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: -15.683588
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.8806740649626588, total energy = -15.683587776169073

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: -15.683588
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8806740605970833, total energy = -15.68358777616908

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: -15.683588
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.880674066487699, total energy = -15.683587776169077

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: -15.683588
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.880674066778738, total energy = -15.683587776169079

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: -15.683588
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8806740575004346, total energy = -15.683587776169075

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: -15.683588
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.8806740671396245, total energy = -15.683587776169073

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: -15.683588
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.8806740589905537, total energy = -15.683587776169075

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: -15.683588
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.880674057826398, total energy = -15.683587776169077

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: -15.683588
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.880674057174474, total energy = -15.683587776169077

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: -15.683588
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8806740631815018, total energy = -15.683587776169079

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: -15.683588
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.88067406238988, total energy = -15.68358777616908

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.88067406] Angstroms and c = 3.7632968339915323 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.684335
         Iterations: 78
         Function evaluations: 161
Results for this minimization:
  a = 2.8735660557975926, c = 4.7276599427109876, total energy = -15.684334613766831

Attempting to perform relaxation using initial lattice constant guess of a = [2.88067406] Angstroms and c = 3.998502886116003 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.684335
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.873566039991704, c = 4.727659934531884, total energy = -15.684334613766833

Attempting to perform relaxation using initial lattice constant guess of a = [2.88067406] Angstroms and c = 4.233708938240474 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.684335
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.87356604087614, c = 4.72765995848636, total energy = -15.684334613766834

Attempting to perform relaxation using initial lattice constant guess of a = [2.88067406] Angstroms and c = 4.4689149903649446 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.684335
         Iterations: 68
         Function evaluations: 141
Results for this minimization:
  a = 2.8735660395423492, c = 4.72765995040781, total energy = -15.684334613766833

Attempting to perform relaxation using initial lattice constant guess of a = [2.88067406] Angstroms and c = 4.704121042489415 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.684335
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 2.8735660349082255, c = 4.727659975680235, total energy = -15.684334613766833

Attempting to perform relaxation using initial lattice constant guess of a = [2.88067406] Angstroms and c = 4.939327094613886 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.684335
         Iterations: 72
         Function evaluations: 148
Results for this minimization:
  a = 2.873566050802043, c = 4.727659924775203, total energy = -15.684334613766831

Attempting to perform relaxation using initial lattice constant guess of a = [2.88067406] Angstroms and c = 5.174533146738357 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.684335
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 2.8735660576503017, c = 4.7276599355284645, total energy = -15.68433461376683

Attempting to perform relaxation using initial lattice constant guess of a = [2.88067406] Angstroms and c = 5.409739198862828 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.684335
         Iterations: 79
         Function evaluations: 161
Results for this minimization:
  a = 2.873566042137137, c = 4.7276599467346045, total energy = -15.684334613766834

Attempting to perform relaxation using initial lattice constant guess of a = [2.88067406] Angstroms and c = 5.644945250987298 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.684335
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.8735660405106342, c = 4.727659966770323, total energy = -15.684334613766834

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

 Final lattice Constants:
   a = 2.87356604087614 Angstroms, c = 4.72765995848636 Angstroms, c/a = 1.645224

 Total energy: -15.684334613766834 eV

 Cohesive energy: -3.9210836534417086 eV/atom

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