Element = Lattice = Model = Element: C
Lattice: hcp
Model: MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_001
Computed model cutoff of 4.599999997057051 Angstroms
Computed isolated atomic energy of 0.0 eV for species C

==============================================================================
==============================================================================
 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: -10.116333
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.387589544802907, total energy = -10.116332850996304

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: -10.116333
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.3875895306468014, total energy = -10.116332850996292

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: -10.116333
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.387589540798217, total energy = -10.116332850996304

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: -10.116333
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.3875895469740542, total energy = -10.116332850996299

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: -10.116333
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.387589544057848, total energy = -10.116332850996296

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: -10.116333
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.3875895477831373, total energy = -10.1163328509963

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: -10.116333
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.3875895366072655, total energy = -10.116332850996297

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: -10.116333
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.387589532881975, total energy = -10.116332850996296

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: -10.116333
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.3875895500183115, total energy = -10.116332850996299

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: -10.116333
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 2.387589540006593, total energy = -10.116332850996299

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: -10.116333
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.38758954416262, total energy = -10.116332850996296

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: -10.116333
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.387589546735398, total energy = -10.116332850996297

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: -10.116333
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.3875895403325558, total energy = -10.116332850996304

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: -10.116333
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.387589549645781, total energy = -10.116332850996294

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: -10.116333
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.387589551199926, total energy = -10.116332850996296

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: -10.116333
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.3875895314849904, total energy = -10.116332850996296

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: -10.116333
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.3875895429402574, total energy = -10.116332850996299

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: -10.116333
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.387589537538588, total energy = -10.1163328509963

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: -10.116333
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.387589543091597, total energy = -10.116332850996304

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: -10.116333
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.387589539028703, total energy = -10.116332850996294

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: -10.116333
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.387589539133477, total energy = -10.116332850996296

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: -10.116333
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.387589533254502, total energy = -10.11633285099629

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: -10.116333
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.3875895409146324, total energy = -10.116332850996303

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: -10.116333
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.387589536851733, total energy = -10.116332850996297

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: -10.116333
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.3875895502045728, total energy = -10.116332850996296

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: -10.116333
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.387589536793532, total energy = -10.116332850996297

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: -10.116333
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.3875895392149653, total energy = -10.116332850996299

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: -10.116333
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.3875895496457815, total energy = -10.116332850996297

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: -10.116333
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.3875895574688863, total energy = -10.116332850996288

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: -10.116333
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.3875895502511395, total energy = -10.116332850996297

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 3.119133919984575 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.7536799981029487, c = 2.4516927622045164, total energy = -16.63964889062918

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 3.314079789983611 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 2.7536799990484684, c = 2.4516927693780692, total energy = -16.639648890629182

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 3.509025659982647 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 81
         Function evaluations: 158
Results for this minimization:
  a = 2.7536799962633802, c = 2.4516927781096802, total energy = -16.639648890629182

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 3.703971529981683 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 2.753680003870083, c = 2.451692780944935, total energy = -16.639648890629182

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 3.898917399980719 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 82
         Function evaluations: 171
Results for this minimization:
  a = 2.233699054576677, c = 5.7752248896463065, total energy = -11.427289006268051

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 4.093863269979755 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 86
         Function evaluations: 176
Results for this minimization:
  a = 2.2336990659984455, c = 5.7752249845123, total energy = -11.42728900626805

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 4.288809139978792 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 78
         Function evaluations: 160
Results for this minimization:
  a = 2.2336990645760677, c = 5.775224987478058, total energy = -11.42728900626805

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 4.483755009977827 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 80
         Function evaluations: 173
Results for this minimization:
  a = 2.2336990425198926, c = 5.7752248018137475, total energy = -11.427289006268046

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 4.678700879976864 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.233699062770681, c = 5.775224961733568, total energy = -11.42728900626805

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

 Final lattice Constants:
   a = 2.7536799990484684 Angstroms, c = 2.4516927693780692 Angstroms, c/a = 0.890333

 Total energy: -16.639648890629182 eV

 Cohesive energy: -4.1599122226572955 eV/atom

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