Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_001
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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.866634293831885, total energy = -13.30799183526825

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 = -13.307991835268254

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: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.866634285019245, total energy = -13.30799183526825

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.866634281584992, total energy = -13.307991835268249

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8666342858923604, total energy = -13.307991835268252

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: 76
Results for this minimization:
  a = 2.8666342841461296, total energy = -13.307991835268256

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: 77
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: 76
Results for this minimization:
  a = 2.8666342874639668, 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: 76
Results for this minimization:
  a = 2.86663429707987, total energy = -13.30799183526825

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8666342854499804, total energy = -13.307991835268252

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8666342707350854, total energy = -13.307991835268249

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8666342893615337, total energy = -13.307991835268249

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: 78
Results for this minimization:
  a = 2.86663428414613, total energy = -13.307991835268254

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: 80
Results for this minimization:
  a = 2.866634273581436, total energy = -13.307991835268247

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8666342826560136, total energy = -13.307991835268249

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: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.866634281165899, total energy = -13.30799183526825

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: 81
Results for this minimization:
  a = 2.866634287638586, total energy = -13.307991835268249

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 = 2.866634279489517, total energy = -13.307991835268247

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: 80
Results for this minimization:
  a = 2.8666342865675642, total energy = -13.307991835268249

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 3.744955346840823 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 2.8325563836227867, c = 4.794639552574855, total energy = -13.321925797666314

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 3.979015056018375 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.8325563641776634, c = 4.794639578757412, total energy = -13.321925797666314

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.213074765195927 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 2.8325563720436655, c = 4.794639588068936, total energy = -13.321925797666312

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.4471344743734775 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 63
         Function evaluations: 139
Results for this minimization:
  a = 2.8325563702896996, c = 4.7946395615215565, total energy = -13.321925797666315

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.68119418355103 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.8325563644587937, c = 4.7946395656659435, total energy = -13.321925797666314

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.915253892728581 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 65
         Function evaluations: 138
Results for this minimization:
  a = 2.8325563517435595, c = 4.79463957924003, total energy = -13.321925797666312

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.149313601906133 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.8325563567186647, c = 4.794639535417527, total energy = -13.32192579766631

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.383373311083684 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.8325563612706137, c = 4.794639576817772, total energy = -13.32192579766631

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.617433020261236 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.832556358492666, c = 4.794639557651163, total energy = -13.321925797666314

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

 Final lattice Constants:
   a = 2.8325563702896996 Angstroms, c = 4.7946395615215565 Angstroms, c/a = 1.692690

 Total energy: -13.321925797666315 eV

 Cohesive energy: -3.330481449416579 eV/atom

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