Element = Lattice = Model = Element: Ti
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 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: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.92000000290573, 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: 83
Results for this minimization:
  a = 2.920000000402797, 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: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9199999942211434, total energy = -19.48000000000696

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9199999935925067, total energy = -19.48000000000696

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: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9199999867472823, total energy = -19.48000000000696

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: 81
Results for this minimization:
  a = 2.920000014826657, total energy = -19.480000000006957

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: 80
Results for this minimization:
  a = 2.9200000137090694, total energy = -19.48000000000696

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: 77
Results for this minimization:
  a = 2.919999992847444, total energy = -19.48000000000696

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: 76
Results for this minimization:
  a = 2.919999990612269, total energy = -19.48000000000696

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: 77
Results for this minimization:
  a = 2.9200000137090694, total energy = -19.48000000000696

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: 74
Results for this minimization:
  a = 2.9199999976903186, total energy = -19.480000000006964

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: 72
Results for this minimization:
  a = 2.919999998062849, total energy = -19.48000000000696

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9199999941512944, total energy = -19.48000000000696

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 = 2.920000001916196, total energy = -19.48000000000696

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 = 2.920000008121133, total energy = -19.48000000000696

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: 72
Results for this minimization:
  a = 2.9200000047683705, total energy = -19.48000000000696

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 = 2.919999998412095, total energy = -19.480000000006964

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: 72
Results for this minimization:
  a = 2.9200000027194624, total energy = -19.48000000000696

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: 73
Results for this minimization:
  a = 2.9200000036507836, total energy = -19.48000000000696

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: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.919999994151295, total energy = -19.480000000006964

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: 75
Results for this minimization:
  a = 2.920000002626328, 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: 73
Results for this minimization:
  a = 2.9200000034761615, total energy = -19.480000000006964

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: 77
Results for this minimization:
  a = 2.919999998435375, total energy = -19.48000000000696

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: 76
Results for this minimization:
  a = 2.9199999958276726, total energy = -19.48000000000696

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 = 2.9199999974342075, 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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9199999953620104, 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 = -19.48000000000696

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 = 2.9200000002980193, total energy = -19.480000000006964

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: 81
Results for this minimization:
  a = 2.920000008679925, total energy = -19.480000000006964

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.920000003883616, total energy = -19.480000000006964

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 = 2.9200000038734255, 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 = 3.814672029890366 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.9453374003665846, c = 4.687408017740587, total energy = -19.490770904581556

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 4.053089031758514 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 65
         Function evaluations: 145
Results for this minimization:
  a = 2.9453373790794832, c = 4.687408042153411, total energy = -19.49077090458156

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 4.291506033626662 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 2.945337392694138, c = 4.687408046221412, total energy = -19.49077090458156

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 4.52992303549481 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.945337394523146, c = 4.68740803451054, total energy = -19.49077090458156

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 4.768340037362957 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.9453373776321037, c = 4.687408043338887, total energy = -19.49077090458156

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 5.006757039231106 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 71
         Function evaluations: 158
Results for this minimization:
  a = 2.945337400286685, c = 4.687408011278003, total energy = -19.49077090458156

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 5.245174041099254 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 69
         Function evaluations: 154
Results for this minimization:
  a = 2.9453373751321856, c = 4.687408067412355, total energy = -19.49077090458156

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 5.483591042967402 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.9453374090087587, c = 4.687408006725157, total energy = -19.490770904581556

Attempting to perform relaxation using initial lattice constant guess of a = [2.92] Angstroms and c = 5.722008044835549 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.945337394159084, c = 4.687408052916104, total energy = -19.490770904581556

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

 Final lattice Constants:
   a = 2.9453373790794832 Angstroms, c = 4.687408042153411 Angstroms, c/a = 1.591467

 Total energy: -19.49077090458156 eV

 Cohesive energy: -4.87269272614539 eV/atom

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