Element = Lattice = Model = Element: Al
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 Al

==============================================================================
==============================================================================
 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: -13.272162
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8737100273370784, total energy = -13.27216169251171

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: -13.272162
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.873710022214799, total energy = -13.272161692511709

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: -13.272162
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8737100223079324, total energy = -13.272161692511707

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: -13.272162
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.873710010200745, total energy = -13.272161692511702

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: -13.272162
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.873710025846961, total energy = -13.272161692511704

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: -13.272162
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8737100160215063, total energy = -13.272161692511704

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: -13.272162
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8737100247293705, total energy = -13.272161692511705

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: -13.272162
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.873710021027364, total energy = -13.272161692511707

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: -13.272162
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8737100183963804, total energy = -13.272161692511705

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: -13.272162
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.873710029013456, total energy = -13.272161692511705

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: -13.272162
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.873710028082132, total energy = -13.272161692511704

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: -13.272162
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8737100146710857, total energy = -13.272161692511702

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: -13.272162
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.873710010200739, total energy = -13.272161692511704

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: -13.272162
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.8737100247293714, total energy = -13.272161692511705

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: -13.272162
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.873710026592017, total energy = -13.272161692511704

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: -13.272162
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.873710015229881, total energy = -13.272161692511702

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: -13.272162
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.873710019281133, total energy = -13.272161692511707

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: -13.272162
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.87371002137661, total energy = -13.272161692511705

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: -13.272162
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8737100154161443, total energy = -13.272161692511702

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: -13.272162
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.873710000631399, total energy = -13.2721616925117

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: -13.272162
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8737100247293696, total energy = -13.272161692511707

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: -13.272162
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8737100230064234, total energy = -13.272161692511704

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: -13.272162
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8737100156140514, total energy = -13.272161692511705

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: -13.272162
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8737100157886712, total energy = -13.272161692511702

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: -13.272162
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8737100228667254, total energy = -13.272161692511705

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.87371003] Angstroms and c = 3.7541990590375147 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.287065
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.839183024663582, c = 4.80257317837213, total energy = -13.287065481772116

Attempting to perform relaxation using initial lattice constant guess of a = [2.87371003] Angstroms and c = 3.9888365002273596 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.287065
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.839183021978278, c = 4.8025731889480525, total energy = -13.287065481772112

Attempting to perform relaxation using initial lattice constant guess of a = [2.87371003] Angstroms and c = 4.223473941417204 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.287065
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.8391830471061494, c = 4.802573131879122, total energy = -13.287065481772114

Attempting to perform relaxation using initial lattice constant guess of a = [2.87371003] Angstroms and c = 4.458111382607049 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.287065
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.839183030556609, c = 4.802573179224546, total energy = -13.287065481772116

Attempting to perform relaxation using initial lattice constant guess of a = [2.87371003] Angstroms and c = 4.692748823796894 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.287065
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.8391830233826925, c = 4.802573184996717, total energy = -13.287065481772116

Attempting to perform relaxation using initial lattice constant guess of a = [2.87371003] Angstroms and c = 4.927386264986739 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.287065
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.8391830385972607, c = 4.802573174777107, total energy = -13.287065481772116

Attempting to perform relaxation using initial lattice constant guess of a = [2.87371003] Angstroms and c = 5.1620237061765835 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.287065
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.839183030007083, c = 4.802573210927139, total energy = -13.287065481772114

Attempting to perform relaxation using initial lattice constant guess of a = [2.87371003] Angstroms and c = 5.396661147366428 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.287065
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.8391830514578364, c = 4.8025731551821345, total energy = -13.287065481772116

Attempting to perform relaxation using initial lattice constant guess of a = [2.87371003] Angstroms and c = 5.631298588556273 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.287065
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.8391830411695853, c = 4.8025731373502865, total energy = -13.287065481772114

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

 Final lattice Constants:
   a = 2.839183024663582 Angstroms, c = 4.80257317837213 Angstroms, c/a = 1.691533

 Total energy: -13.287065481772116 eV

 Cohesive energy: -3.321766370443029 eV/atom

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