Element = Lattice = Model = Element: C
Lattice: hcp
Model: Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
Computed model cutoff of 4.79999999620023 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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.3875895299017458, total energy = -10.11633285073914

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.3875895172357566, total energy = -10.116332850739138

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.387589529156685, total energy = -10.116332850739141

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: 79
Results for this minimization:
  a = 2.3875895350007386, total energy = -10.116332850739136

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.3875895285513273, total energy = -10.116332850739143

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 = 2.38758952372009, total energy = -10.116332850739145

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: 73
Results for this minimization:
  a = 2.3875895274803045, total energy = -10.116332850739141

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: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.3875895286910236, total energy = -10.116332850739141

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.3875895172357575, total energy = -10.116332850739138

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 = 2.3875895312987274, total energy = -10.116332850739138

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 = 2.387589532323182, total energy = -10.11633285073914

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.387589517980814, total energy = -10.116332850739134

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: 72
Results for this minimization:
  a = 2.3875895286910236, total energy = -10.116332850739145

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 = 2.387589527154341, total energy = -10.116332850739145

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 = 2.3875895255245267, total energy = -10.116332850739141

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: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.387589525058865, total energy = -10.116332850739143

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 = 2.387589536164886, total energy = -10.116332850739138

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 = 2.387589523277711, total energy = -10.116332850739141

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 = 2.3875895259901863, total energy = -10.116332850739143

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: 75
Results for this minimization:
  a = 2.3875895264558484, total energy = -10.116332850739138

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.3875895300880066, total energy = -10.11633285073914

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: 75
Results for this minimization:
  a = 2.387589525236397, total energy = -10.11633285073914

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: 81
Results for this minimization:
  a = 2.387589524325449, total energy = -10.116332850739141

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: 80
Results for this minimization:
  a = 2.387589532701527, total energy = -10.116332850739141

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 = 2.3875895321369156, total energy = -10.11633285073914

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 = 2.3875895183533453, total energy = -10.116332850739136

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: 77
Results for this minimization:
  a = 2.3875895312987234, total energy = -10.116332850739138

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.3875895203091204, total energy = -10.116332850739141

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: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.387589521059994, total energy = -10.116332850739141

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: 80
Results for this minimization:
  a = 2.3875895209610443, total energy = -10.11633285073914

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: -10.116333
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.387589525943624, total energy = -10.116332850739143

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: -10.116333
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.387589528411623, total energy = -10.116332850739141

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.38758952] Angstroms and c = 3.1191338924420986 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 75
         Function evaluations: 153
Results for this minimization:
  a = 2.7536800105453514, c = 2.451692779891557, total energy = -16.639648890501267

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758952] Angstroms and c = 3.31407976071973 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 2.7536800154435457, c = 2.4516927795138757, total energy = -16.639648890501263

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758952] Angstroms and c = 3.509025628997361 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 78
         Function evaluations: 156
Results for this minimization:
  a = 2.7536800091790408, c = 2.451692785540085, total energy = -16.639648890501267

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758952] Angstroms and c = 3.7039714972749924 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 79
         Function evaluations: 163
Results for this minimization:
  a = 2.753680003956421, c = 2.4516927816734597, total energy = -16.639648890501267

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758952] Angstroms and c = 3.8989173655526237 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 82
         Function evaluations: 166
Results for this minimization:
  a = 2.233699057398116, c = 5.775224919454389, total energy = -11.427289006762676

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758952] Angstroms and c = 4.093863233830255 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 83
         Function evaluations: 173
Results for this minimization:
  a = 2.233699055805338, c = 5.775224891873238, total energy = -11.427289006762674

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758952] Angstroms and c = 4.288809102107886 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 2.2336990573091704, c = 5.77522496770025, total energy = -11.427289006762676

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758952] Angstroms and c = 4.483754970385517 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 2.2336990522648064, c = 5.775224874593633, total energy = -11.427289006762678

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758952] Angstroms and c = 4.678700838663149 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 78
         Function evaluations: 168
Results for this minimization:
  a = 2.2336990633483946, c = 5.775224959761129, total energy = -11.427289006762678

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

 Final lattice Constants:
   a = 2.7536800105453514 Angstroms, c = 2.451692779891557 Angstroms, c/a = 0.890333

 Total energy: -16.639648890501267 eV

 Cohesive energy: -4.159912222625317 eV/atom

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