Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001
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: 81
Results for this minimization:
  a = 2.9200000129640147, total energy = -19.480000000005777

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: 85
Results for this minimization:
  a = 2.9199999868869777, total energy = -19.480000000005774

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: 85
Results for this minimization:
  a = 2.9200000017881393, total energy = -19.480000000005777

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: 82
Results for this minimization:
  a = 2.920000014081604, total energy = -19.48000000000577

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: 80
Results for this minimization:
  a = 2.919999995687979, total energy = -19.480000000005774

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.919999997876587, total energy = -19.480000000005774

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: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.9199999954551465, total energy = -19.480000000005774

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 = 2.9199999952688813, total energy = -19.480000000005774

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 = 2.919999994244428, total energy = -19.480000000005774

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 = -19.480000000005774

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: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9199999944306927, total energy = -19.48000000000577

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.92000000476837, total energy = -19.48000000000577

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: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9200000017881393, total energy = -19.48000000000577

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 = 2.919999998062849, total energy = -19.48000000000577

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: 69
Results for this minimization:
  a = 2.9200000007636846, total energy = -19.48000000000577

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9200000134762374, total energy = -19.48000000000577

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: 71
Results for this minimization:
  a = 2.9200000047683705, total energy = -19.48000000000577

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: 72
Results for this minimization:
  a = 2.919999992591329, total energy = -19.480000000005774

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: 73
Results for this minimization:
  a = 2.920000004989561, total energy = -19.480000000005774

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: 72
Results for this minimization:
  a = 2.9200000042794265, total energy = -19.480000000005774

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 = 2.9200000006705524, total energy = -19.480000000005774

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9199999999254924, total energy = -19.480000000005774

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: 73
Results for this minimization:
  a = 2.920000006793998, total energy = -19.48000000000577

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.920000004209575, total energy = -19.48000000000577

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9200000166892988, total energy = -19.48000000000577

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: 78
Results for this minimization:
  a = 2.920000018179417, total energy = -19.480000000005766

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 = 2.9199999908101715, total energy = -19.48000000000577

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: 80
Results for this minimization:
  a = 2.91999999480322, total energy = -19.480000000005774

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: 81
Results for this minimization:
  a = 2.920000013709064, total energy = -19.480000000005766

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: 80
Results for this minimization:
  a = 2.9200000017881385, total energy = -19.480000000005774

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9199999972479427, total energy = -19.480000000005774

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: 82
Results for this minimization:
  a = 2.919999996665862, total energy = -19.480000000005774

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 3.814672043030454 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.488856
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.9435771066410754, c = 4.692688211306846, total energy = -19.488856238076366

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 4.053089045719857 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.488856
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.943577112466843, c = 4.692688227684359, total energy = -19.48885623807637

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 4.291506048409261 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.488856
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 2.9435771176475782, c = 4.692688239871364, total energy = -19.48885623807637

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 4.529923051098663 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.488856
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.943577117370574, c = 4.692688252071967, total energy = -19.48885623807637

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 4.768340053788066 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.488856
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.9435771131729176, c = 4.692688218652786, total energy = -19.48885623807637

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 5.006757056477469 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.488856
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.9435771230414565, c = 4.692688238162129, total energy = -19.48885623807637

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 5.245174059166873 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.488856
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.943577118278812, c = 4.692688217776821, total energy = -19.48885623807637

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 5.483591061856275 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.488856
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.9435771185420845, c = 4.6926882506921626, total energy = -19.48885623807637

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 5.722008064545678 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.488856
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.9435771060027878, c = 4.692688257203273, total energy = -19.48885623807637

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

 Final lattice Constants:
   a = 2.943577112466843 Angstroms, c = 4.692688227684359 Angstroms, c/a = 1.594213

 Total energy: -19.48885623807637 eV

 Cohesive energy: -4.872214059519092 eV/atom

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