Element = Lattice = Model = Element: C
Lattice: hcp
Model: MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_000
Computed model cutoff of 3.5999999965727416 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: 80
Results for this minimization:
  a = 2.387589549645784, total energy = -10.116332851256821

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: 79
Results for this minimization:
  a = 2.3875895339995625, total energy = -10.116332851256821

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.3875895477831364, total energy = -10.116332851256818

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.3875895356410233, total energy = -10.116332851256827

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: 77
Results for this minimization:
  a = 2.387589544057848, total energy = -10.116332851256825

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: 75
Results for this minimization:
  a = 2.3875895453616987, total energy = -10.116332851256823

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.3875895313918587, total energy = -10.116332851256825

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: 73
Results for this minimization:
  a = 2.387589544057846, total energy = -10.116332851256823

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.387589541077615, total energy = -10.116332851256828

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.3875895364442847, total energy = -10.116332851256828

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 = 2.3875895305420274, total energy = -10.116332851256828

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: 68
Results for this minimization:
  a = 2.387589536118321, total energy = -10.116332851256825

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.3875895347446203, total energy = -10.116332851256823

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: 76
Results for this minimization:
  a = 2.387589539866894, total energy = -10.116332851256823

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 = 2.3875895347446203, total energy = -10.116332851256823

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: 74
Results for this minimization:
  a = 2.387589540053158, total energy = -10.116332851256823

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 = 2.387589534558354, total energy = -10.116332851256825

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: 76
Results for this minimization:
  a = 2.3875895398668945, total energy = -10.116332851256821

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: 76
Results for this minimization:
  a = 2.3875895429402574, total energy = -10.116332851256828

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: 76
Results for this minimization:
  a = 2.387589528420357, total energy = -10.11633285125682

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 = 2.387589535955339, total energy = -10.116332851256821

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: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.387589546589876, total energy = -10.116332851256823

==============================================================================
==============================================================================
 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 = 3.119133915117874 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.7536800019546037, c = 2.451692786381586, total energy = -16.639648890356735

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 3.314079784812741 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.753680003725037, c = 2.4516927698116087, total energy = -16.639648890356735

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 3.509025654507608 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 78
         Function evaluations: 157
Results for this minimization:
  a = 2.7536800156010486, c = 2.4516927858931656, total energy = -16.639648890356735

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 3.703971524202475 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 80
         Function evaluations: 166
Results for this minimization:
  a = 2.753680003512597, c = 2.4516927829871995, total energy = -16.63964889035673

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 3.898917393897342 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 87
         Function evaluations: 179
Results for this minimization:
  a = 2.2336990499041645, c = 5.775224899118457, total energy = -11.427289006750225

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 4.093863263592208 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 85
         Function evaluations: 174
Results for this minimization:
  a = 2.233699058683543, c = 5.775224924125337, total energy = -11.427289006750222

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 4.288809133287076 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 81
         Function evaluations: 165
Results for this minimization:
  a = 2.2336990524405005, c = 5.775224855434965, total energy = -11.427289006750225

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 4.483755002981942 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.2336990510639696, c = 5.775224892357784, total energy = -11.427289006750229

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758954] Angstroms and c = 4.67870087267681 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 74
         Function evaluations: 162
Results for this minimization:
  a = 2.233699046811225, c = 5.775224813170185, total energy = -11.427289006750218

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

 Final lattice Constants:
   a = 2.7536800019546037 Angstroms, c = 2.451692786381586 Angstroms, c/a = 0.890333

 Total energy: -16.639648890356735 eV

 Cohesive energy: -4.159912222589184 eV/atom

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