Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_001
Computed model cutoff of 4.700000001862673 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: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.866634280979637, total energy = -13.307991835539683

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: 84
Results for this minimization:
  a = 2.866634275205433, total energy = -13.307991835539683

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 = 2.866634264588356, total energy = -13.30799183553968

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: 83
Results for this minimization:
  a = 2.866634280979639, total energy = -13.307991835539681

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 = 2.8666342824697524, total energy = -13.30799183553968

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8666342809796355, total energy = -13.307991835539683

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: 75
Results for this minimization:
  a = 2.8666342763230213, total energy = -13.307991835539687

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.866634264588356, total energy = -13.307991835539678

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8666342630982427, total energy = -13.307991835539678

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: 76
Results for this minimization:
  a = 2.8666342764976447, total energy = -13.307991835539681

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8666342697571974, total energy = -13.30799183553968

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: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8666342723183322, total energy = -13.307991835539678

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: 74
Results for this minimization:
  a = 2.8666342720389366, total energy = -13.307991835539681

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: 72
Results for this minimization:
  a = 2.866634264588356, total energy = -13.30799183553968

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: 70
Results for this minimization:
  a = 2.8666342809796337, total energy = -13.307991835539685

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: 69
Results for this minimization:
  a = 2.8666342811135115, total energy = -13.307991835539687

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8666342690587037, total energy = -13.307991835539687

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: 74
Results for this minimization:
  a = 2.8666342748329043, total energy = -13.30799183553968

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 = 2.8666342834010714, total energy = -13.307991835539683

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: 73
Results for this minimization:
  a = 2.8666342601180075, total energy = -13.307991835539672

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.866634286672342, total energy = -13.307991835539683

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: 76
Results for this minimization:
  a = 2.866634265205355, total energy = -13.307991835539683

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.866634264588356, total energy = -13.30799183553968

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 = 2.866634276148395, total energy = -13.307991835539685

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: 76
Results for this minimization:
  a = 2.8666342794895163, total energy = -13.307991835539683

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: 80
Results for this minimization:
  a = 2.866634263820016, total energy = -13.307991835539681

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: 80
Results for this minimization:
  a = 2.8666342766955477, total energy = -13.307991835539683

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8666342784417793, total energy = -13.307991835539683

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 = 2.8666342718526687, total energy = -13.30799183553968

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: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.866634289009379, total energy = -13.307991835539681

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: 81
Results for this minimization:
  a = 2.8666342776268734, total energy = -13.30799183553968

==============================================================================
==============================================================================
 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 = 3.744955336620757 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 77
         Function evaluations: 158
Results for this minimization:
  a = 2.832556361913874, c = 4.794639657940552, total energy = -13.321925797604417

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 3.9790150451595543 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.8325563522766286, c = 4.794639635979663, total energy = -13.321925797604424

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.2130747536983515 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.832556358873278, c = 4.794639648666854, total energy = -13.32192579760442

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.447134462237148 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.8325563708273735, c = 4.7946396417462935, total energy = -13.321925797604417

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.681194170775946 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.832556341969342, c = 4.794639653567332, total energy = -13.32192579760442

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.915253879314744 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 72
         Function evaluations: 148
Results for this minimization:
  a = 2.832556349453273, c = 4.794639640928441, total energy = -13.321925797604422

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.14931358785354 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.8325563314452347, c = 4.794639732963719, total energy = -13.321925797604415

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.383373296392337 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.832556332863687, c = 4.794639707936305, total energy = -13.321925797604413

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.617433004931135 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.832556357600392, c = 4.7946396344424285, total energy = -13.321925797604418

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

 Final lattice Constants:
   a = 2.8325563522766286 Angstroms, c = 4.794639635979663 Angstroms, c/a = 1.692690

 Total energy: -13.321925797604424 eV

 Cohesive energy: -3.330481449401106 eV/atom

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