Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_001
Computed model cutoff of 3.999999990463257 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: -19.400263
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9508069038391156, total energy = -19.400262561685455

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: -19.400263
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9508068884955723, total energy = -19.40026256168546

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: -19.400263
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.950806892476976, total energy = -19.40026256168546

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: -19.400263
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9508068911731318, total energy = -19.400262561685455

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: -19.400263
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.95080689247698, total energy = -19.400262561685455

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: -19.400263
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.950806899974124, total energy = -19.40026256168546

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: -19.400263
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.95080689266324, total energy = -19.400262561685455

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: -19.400263
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9508068785071373, total energy = -19.40026256168545

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: -19.400263
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9508068904280695, total energy = -19.400262561685455

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: -19.400263
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9508069040253777, total energy = -19.400262561685448

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: -19.400263
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9508068874478344, total energy = -19.400262561685455

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: -19.400263
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9508068844676, total energy = -19.40026256168545

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: -19.400263
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.950806894339621, total energy = -19.400262561685455

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: -19.400263
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9508068962488334, total energy = -19.400262561685455

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: -19.400263
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.950806899368764, total energy = -19.40026256168545

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: -19.400263
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9508068807423116, total energy = -19.40026256168545

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: -19.400263
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.950806896388531, total energy = -19.40026256168545

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: -19.400263
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.950806893641129, total energy = -19.400262561685455

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: -19.400263
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9508068896830077, total energy = -19.400262561685455

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: -19.400263
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.950806907564401, total energy = -19.400262561685448

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: -19.400263
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.950806890055536, total energy = -19.400262561685455

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: -19.400263
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9508068960160005, total energy = -19.40026256168545

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: -19.400263
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.950806901906617, total energy = -19.40026256168545

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: -19.400263
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.950806898390872, total energy = -19.400262561685455

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: -19.400263
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9508068935945624, total energy = -19.400262561685455

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.95080689] Angstroms and c = 3.8549179766953867 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.407845
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 2.9716687000275597, c = 4.74908405540726, total energy = -19.407845206974276

Attempting to perform relaxation using initial lattice constant guess of a = [2.95080689] Angstroms and c = 4.095850350238848 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.407845
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.971668694387582, c = 4.74908408529631, total energy = -19.40784520697428

Attempting to perform relaxation using initial lattice constant guess of a = [2.95080689] Angstroms and c = 4.33678272378231 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.407845
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.971668687357073, c = 4.749084096225062, total energy = -19.407845206974276

Attempting to perform relaxation using initial lattice constant guess of a = [2.95080689] Angstroms and c = 4.577715097325771 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.407845
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.971668698107571, c = 4.749084112889387, total energy = -19.407845206974276

Attempting to perform relaxation using initial lattice constant guess of a = [2.95080689] Angstroms and c = 4.818647470869232 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.407845
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.971668699713816, c = 4.749084039129522, total energy = -19.407845206974272

Attempting to perform relaxation using initial lattice constant guess of a = [2.95080689] Angstroms and c = 5.059579844412694 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.407845
         Iterations: 68
         Function evaluations: 153
Results for this minimization:
  a = 2.971668698809263, c = 4.749084072037448, total energy = -19.407845206974283

Attempting to perform relaxation using initial lattice constant guess of a = [2.95080689] Angstroms and c = 5.300512217956156 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.407845
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.971668690506224, c = 4.749084071909608, total energy = -19.407845206974276

Attempting to perform relaxation using initial lattice constant guess of a = [2.95080689] Angstroms and c = 5.541444591499617 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.407845
         Iterations: 67
         Function evaluations: 150
Results for this minimization:
  a = 2.971668700029527, c = 4.749084089341794, total energy = -19.407845206974283

Attempting to perform relaxation using initial lattice constant guess of a = [2.95080689] Angstroms and c = 5.782376965043078 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.407845
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.971668708015618, c = 4.7490840292750995, total energy = -19.407845206974272

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

 Final lattice Constants:
   a = 2.971668698809263 Angstroms, c = 4.749084072037448 Angstroms, c/a = 1.598120

 Total energy: -19.407845206974283 eV

 Cohesive energy: -4.851961301743571 eV/atom

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