Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_000
Computed model cutoff of 5.000000004544876 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: -13.307992
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.866634288430217, total energy = -13.307991835268252

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: -13.307992
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.866634287359193, total energy = -13.30799183526825

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: -13.307992
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.866634286940098, total energy = -13.307991835268254

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: -13.307992
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.866634280979639, total energy = -13.307991835268249

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: -13.307992
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.866634291410449, total energy = -13.307991835268249

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: -13.307992
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8666342827957147, total energy = -13.307991835268245

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: -13.307992
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8666342750191687, total energy = -13.307991835268247

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: -13.307992
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.86663428414613, total energy = -13.307991835268254

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: -13.307992
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.866634288430216, total energy = -13.30799183526825

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: -13.307992
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8666342893615377, total energy = -13.307991835268249

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: -13.307992
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8666342858923604, total energy = -13.307991835268252

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: -13.307992
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8666343064920494, total energy = -13.30799183526825

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: -13.307992
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.866634286940098, total energy = -13.307991835268247

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: -13.307992
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.866634265566245, total energy = -13.307991835268238

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: -13.307992
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8666342814918613, total energy = -13.30799183526825

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: -13.307992
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8666342863347385, total energy = -13.307991835268252

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: -13.307992
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.866634286940097, total energy = -13.30799183526825

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: -13.307992
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.86663428414613, total energy = -13.307991835268254

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: -13.307992
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.866634280979633, total energy = -13.307991835268245

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: -13.307992
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.86663428589236, total energy = -13.307991835268249

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: -13.307992
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8666342841461296, total energy = -13.307991835268249

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: -13.307992
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8666342999786116, total energy = -13.307991835268249

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: -13.307992
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.86663428414613, total energy = -13.307991835268254

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: -13.307992
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8666342793963824, total energy = -13.307991835268249

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: -13.307992
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8666342884302125, total energy = -13.307991835268256

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: -13.307992
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8666342764976442, total energy = -13.307991835268247

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: -13.307992
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.866634291736406, total energy = -13.307991835268247

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: -13.307992
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.86663428414613, total energy = -13.307991835268247

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: -13.307992
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8666342868353203, total energy = -13.30799183526825

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: -13.307992
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8666342897631685, total energy = -13.307991835268254

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: -13.307992
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.866634281165899, total energy = -13.307991835268247

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: -13.307992
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8666342878655966, total energy = -13.307991835268258

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.307992
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8666342943906784, total energy = -13.307991835268249

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.307992
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8666342942640726, total energy = -13.30799183526825

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86663429] Angstroms and c = 3.7449553516999146 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 77
         Function evaluations: 159
Results for this minimization:
  a = 2.832556366101643, c = 4.794639614955093, total energy = -13.321925797666314

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663429] Angstroms and c = 3.979015061181159 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.832556366137509, c = 4.7946395563563655, total energy = -13.321925797666314

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663429] Angstroms and c = 4.213074770662404 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.832556375994482, c = 4.794639532736606, total energy = -13.321925797666315

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663429] Angstroms and c = 4.4471344801436485 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 64
         Function evaluations: 139
Results for this minimization:
  a = 2.832556352170228, c = 4.794639578257389, total energy = -13.321925797666312

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663429] Angstroms and c = 4.681194189624893 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.8325563491380845, c = 4.794639587128534, total energy = -13.321925797666312

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663429] Angstroms and c = 4.915253899106138 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.832556343139087, c = 4.794639579855195, total energy = -13.321925797666307

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663429] Angstroms and c = 5.1493136085873825 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.832556362948869, c = 4.794639540418726, total energy = -13.321925797666315

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663429] Angstroms and c = 5.383373318068627 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.83255634853964, c = 4.794639559560067, total energy = -13.321925797666312

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663429] Angstroms and c = 5.617433027549872 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.832556364240374, c = 4.794639535960931, total energy = -13.321925797666314

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

 Final lattice Constants:
   a = 2.832556375994482 Angstroms, c = 4.794639532736606 Angstroms, c/a = 1.692690

 Total energy: -13.321925797666315 eV

 Cohesive energy: -3.330481449416579 eV/atom

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