Element = Lattice = Model = Element: C
Lattice: hcp
Model: MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_000
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: 67
Results for this minimization:
  a = 2.387589539610781, 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: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.3875895441626205, total energy = -10.1163328509963

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: 69
Results for this minimization:
  a = 2.387589533021673, total energy = -10.116332850996294

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: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.387589529156685, total energy = -10.116332850996288

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.3875895408447825, total energy = -10.116332850996299

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.387589547038078, total energy = -10.1163328509963

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: 78
Results for this minimization:
  a = 2.387589531618868, 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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.387589548528193, total energy = -10.116332850996297

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.3875895282253623, total energy = -10.116332850996296

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.387589535675941, total energy = -10.1163328509963

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.387589539028703, total energy = -10.116332850996299

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: 76
Results for this minimization:
  a = 2.387589547364041, total energy = -10.1163328509963

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: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.38758953688375, total energy = -10.116332850996296

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 = 2.3875895382952876, total energy = -10.1163328509963

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 = 2.3875895386561705, total energy = -10.1163328509963

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.3875895380973797, total energy = -10.116332850996297

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: 78
Results for this minimization:
  a = 2.387589536793532, total energy = -10.116332850996294

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: 78
Results for this minimization:
  a = 2.387589545547959, total energy = -10.116332850996296

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: 82
Results for this minimization:
  a = 2.3875895366072655, total energy = -10.116332850996299

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: 79
Results for this minimization:
  a = 2.3875895474106024, total energy = -10.1163328509963

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: 81
Results for this minimization:
  a = 2.387589548528193, total energy = -10.1163328509963

==============================================================================
==============================================================================
 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: 76
         Function evaluations: 161
Results for this minimization:
  a = 2.753680012433273, c = 2.451692774693948, 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: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.7536799977896593, c = 2.4516927720466657, 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: 159
Results for this minimization:
  a = 2.753680001023806, c = 2.4516927733439644, total energy = -16.639648890629186

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: 83
         Function evaluations: 176
Results for this minimization:
  a = 2.7536799994601244, c = 2.4516927788157323, total energy = -16.639648890629186

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: 84
         Function evaluations: 172
Results for this minimization:
  a = 2.2336990524224873, c = 5.77522481688584, total energy = -11.427289006268046

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: 80
         Function evaluations: 163
Results for this minimization:
  a = 2.233699058184592, c = 5.7752249226648384, total energy = -11.427289006268055

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: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.233699068416331, c = 5.775225032801384, total energy = -11.427289006268044

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: 82
         Function evaluations: 171
Results for this minimization:
  a = 2.2336990621303583, c = 5.775224949800489, total energy = -11.427289006268053

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: 73
         Function evaluations: 160
Results for this minimization:
  a = 2.233699056022025, c = 5.7752249150164765, total energy = -11.427289006268053

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

 Final lattice Constants:
   a = 2.753680001023806 Angstroms, c = 2.4516927733439644 Angstroms, c/a = 0.890333

 Total energy: -16.639648890629186 eV

 Cohesive energy: -4.159912222657296 eV/atom

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