Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_000
Computed model cutoff of 4.249999997019805 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: -13.308838
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.8675501927733458, total energy = -13.30883846622985

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: -13.308838
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.867550187557935, total energy = -13.30883846622985

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: -13.308838
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.8675501889083534, total energy = -13.308838466229856

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: -13.308838
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8675502089085123, total energy = -13.30883846622985

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: -13.308838
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.867550202086571, total energy = -13.30883846622985

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: -13.308838
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.867550185322763, total energy = -13.308838466229847

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: -13.308838
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.867550204694271, total energy = -13.308838466229846

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: -13.308838
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.867550184484571, total energy = -13.308838466229851

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: -13.308838
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.867550194263461, total energy = -13.308838466229846

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: -13.308838
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.867550196568482, total energy = -13.308838466229846

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: -13.308838
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.867550187557936, total energy = -13.30883846622985

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: -13.308838
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8675501987338055, total energy = -13.308838466229851

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: -13.308838
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.867550194496289, total energy = -13.308838466229846

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: -13.308838
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.867550184484571, total energy = -13.308838466229853

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: -13.308838
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8675501886755224, total energy = -13.308838466229851

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: -13.308838
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.867550205788576, total energy = -13.308838466229846

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: -13.308838
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8675501808524126, total energy = -13.308838466229851

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: -13.308838
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8675501892575994, total energy = -13.308838466229847

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: -13.308838
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8675501853227603, total energy = -13.308838466229853

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: -13.308838
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.867550197616219, total energy = -13.30883846622985

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: -13.308838
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.86755020469427, total energy = -13.30883846622985

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: -13.308838
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8675501951482127, total energy = -13.308838466229847

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: -13.308838
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8675501942634583, total energy = -13.30883846622985

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: -13.308838
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8675502060912526, total energy = -13.308838466229846

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: -13.308838
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8675501942634574, total energy = -13.308838466229846

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: -13.308838
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.867550189059694, total energy = -13.308838466229847

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: -13.308838
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.867550195381043, total energy = -13.308838466229846

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86755019] Angstroms and c = 3.746151879811721 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.323229
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 2.8317679686605173, c = 4.80052862273029, total energy = -13.323229335889387

Attempting to perform relaxation using initial lattice constant guess of a = [2.86755019] Angstroms and c = 3.9802863722999535 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.323229
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.831767957097289, c = 4.800528639029848, total energy = -13.323229335889387

Attempting to perform relaxation using initial lattice constant guess of a = [2.86755019] Angstroms and c = 4.2144208647881864 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.323229
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.8317679455490845, c = 4.800528595577174, total energy = -13.323229335889389

Attempting to perform relaxation using initial lattice constant guess of a = [2.86755019] Angstroms and c = 4.448555357276419 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.323229
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.83176796115578, c = 4.800528648804866, total energy = -13.323229335889385

Attempting to perform relaxation using initial lattice constant guess of a = [2.86755019] Angstroms and c = 4.682689849764651 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.323229
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.8317679700149263, c = 4.800528575119442, total energy = -13.323229335889382

Attempting to perform relaxation using initial lattice constant guess of a = [2.86755019] Angstroms and c = 4.916824342252884 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.323229
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.831767945518272, c = 4.800528670481832, total energy = -13.323229335889385

Attempting to perform relaxation using initial lattice constant guess of a = [2.86755019] Angstroms and c = 5.150958834741116 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.323229
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.831767941959446, c = 4.800528629204001, total energy = -13.323229335889385

Attempting to perform relaxation using initial lattice constant guess of a = [2.86755019] Angstroms and c = 5.385093327229349 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.323229
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.831767949847839, c = 4.800528626655835, total energy = -13.32322933588939

Attempting to perform relaxation using initial lattice constant guess of a = [2.86755019] Angstroms and c = 5.619227819717581 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.323229
         Iterations: 79
         Function evaluations: 166
Results for this minimization:
  a = 2.831767940578638, c = 4.800528580746098, total energy = -13.323229335889385

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

 Final lattice Constants:
   a = 2.831767949847839 Angstroms, c = 4.800528626655835 Angstroms, c/a = 1.695241

 Total energy: -13.32322933588939 eV

 Cohesive energy: -3.3308073339723476 eV/atom

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