Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_000
Computed model cutoff of 4.79999999620023 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ti

==============================================================================
==============================================================================
 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: -19.480000
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9200000107288395, total energy = -19.480000000006964

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: -19.480000
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 2.9200000137090676, total energy = -19.480000000006964

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: -19.480000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9200000017881393, total energy = -19.480000000006964

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: -19.480000
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.9200000081909883, total energy = -19.480000000006967

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: -19.480000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9200000002980255, total energy = -19.480000000006964

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: -19.480000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9200000015087446, total energy = -19.480000000006964

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: -19.480000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9200000032782567, total energy = -19.48000000000697

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: -19.480000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.920000007841736, total energy = -19.480000000006964

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: -19.480000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.920000003278257, total energy = -19.480000000006967

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: -19.480000
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.919999996945262, total energy = -19.480000000006967

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: -19.480000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9199999969452635, total energy = -19.480000000006964

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: -19.480000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9200000083073956, total energy = -19.480000000006967

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: -19.480000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.919999998062849, total energy = -19.480000000006967

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: -19.480000
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.919999997818377, total energy = -19.480000000006967

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: -19.480000
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.920000018179417, total energy = -19.480000000006957

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: -19.480000
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.919999999552965, total energy = -19.480000000006967

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: -19.480000
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.919999996107071, total energy = -19.480000000006967

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: -19.480000
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9200000048149377, total energy = -19.480000000006967

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: -19.480000
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.920000009983778, total energy = -19.480000000006964

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: -19.480000
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.9199999954784284, total energy = -19.480000000006967

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: -19.480000
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.9199999993667007, total energy = -19.480000000006967

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: -19.480000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9200000060023727, total energy = -19.480000000006964

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: -19.480000
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9199999952688813, total energy = -19.480000000006967

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: -19.480000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.920000004209575, total energy = -19.480000000006964

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: -19.480000
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.9199999980628473, total energy = -19.48000000000697

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: -19.480000
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9200000090553666, total energy = -19.480000000006964

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: -19.480000
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9199999941745745, total energy = -19.480000000006964

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: -19.480000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9199999996926636, total energy = -19.480000000006967

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: -19.480000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9200000070035417, total energy = -19.480000000006967

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: -19.480000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9200000155717127, total energy = -19.48000000000696

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: -19.480000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.920000001229347, total energy = -19.48000000000697

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: -19.480000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.919999985655883, total energy = -19.480000000006964

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 3.8146720303770327 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.945337382701818, c = 4.687408037436384, total energy = -19.490770904581563

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 4.053089032275597 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 2.9453373788797768, c = 4.6874080412498484, total energy = -19.490770904581563

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 4.291506034174162 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.9453373804503755, c = 4.68740804128984, total energy = -19.49077090458156

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 4.529923036072726 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.9453373883557514, c = 4.687408067393919, total energy = -19.490770904581563

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 4.76834003797129 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 65
         Function evaluations: 139
Results for this minimization:
  a = 2.9453373873371174, c = 4.687408015725678, total energy = -19.49077090458156

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 5.006757039869855 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.94533738048227, c = 4.687408054735235, total energy = -19.490770904581566

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 5.24517404176842 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.945337389583644, c = 4.68740804564555, total energy = -19.490770904581563

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 5.483591043666984 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.945337393796488, c = 4.687408015995052, total energy = -19.49077090458156

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 5.722008045565548 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.9453373903294517, c = 4.687408061469014, total energy = -19.49077090458156

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

 Final lattice Constants:
   a = 2.94533738048227 Angstroms, c = 4.687408054735235 Angstroms, c/a = 1.591467

 Total energy: -19.490770904581566 eV

 Cohesive energy: -4.872692726145392 eV/atom

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