Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
Computed model cutoff of 4.09999999832366 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: -13.342547
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.882255673594776, total energy = -13.34254734986505

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: -13.342547
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8822556708939366, total energy = -13.342547349865049

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: -13.342547
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8822556734085083, total energy = -13.34254734986505

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: -13.342547
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.882255668193109, total energy = -13.342547349865056

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: -13.342547
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.882255675643686, total energy = -13.342547349865054

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: -13.342547
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8822556748287766, total energy = -13.342547349865054

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: -13.342547
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8822556586703287, total energy = -13.34254734986505

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: -13.342547
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8822556789964437, total energy = -13.342547349865052

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: -13.342547
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8822556735947753, total energy = -13.342547349865052

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: -13.342547
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.882255662791433, total energy = -13.34254734986505

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: -13.342547
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8822556734085083, total energy = -13.342547349865049

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: -13.342547
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8822556789964424, total energy = -13.342547349865049

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: -13.342547
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8822556658415124, total energy = -13.342547349865052

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: -13.342547
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.8822556708939375, total energy = -13.342547349865052

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: -13.342547
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8822556681931024, total energy = -13.342547349865052

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: -13.342547
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8822556620230895, total energy = -13.34254734986505

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: -13.342547
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.8822556734085083, total energy = -13.342547349865047

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: -13.342547
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8822556789964437, total energy = -13.342547349865049

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: -13.342547
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.8822556708939366, total energy = -13.34254734986505

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: -13.342547
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.882255673827603, total energy = -13.342547349865049

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: -13.342547
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.882255658507346, total energy = -13.342547349865047

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: -13.342547
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8822556629078457, total energy = -13.342547349865043

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: -13.342547
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8822556727100164, total energy = -13.34254734986505

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: -13.342547
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8822556585073444, total energy = -13.342547349865049

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: -13.342547
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8822556735947717, total energy = -13.342547349865047

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: -13.342547
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.88225567075424, total energy = -13.342547349865049

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.88225567] Angstroms and c = 3.7653630375027713 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.358045
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.8439255111012653, c = 4.83284928606607, total energy = -13.358044960244207

Attempting to perform relaxation using initial lattice constant guess of a = [2.88225567] Angstroms and c = 4.000698227346694 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.358045
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.843925509290134, c = 4.83284930634165, total energy = -13.358044960244207

Attempting to perform relaxation using initial lattice constant guess of a = [2.88225567] Angstroms and c = 4.236033417190617 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.358045
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.843925505819653, c = 4.832849246353361, total energy = -13.358044960244209

Attempting to perform relaxation using initial lattice constant guess of a = [2.88225567] Angstroms and c = 4.47136860703454 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.358045
         Iterations: 66
         Function evaluations: 140
Results for this minimization:
  a = 2.843925509798049, c = 4.832849291471405, total energy = -13.358044960244209

Attempting to perform relaxation using initial lattice constant guess of a = [2.88225567] Angstroms and c = 4.706703796878463 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.358045
         Iterations: 61
         Function evaluations: 136
Results for this minimization:
  a = 2.843925497303351, c = 4.832849308995997, total energy = -13.358044960244207

Attempting to perform relaxation using initial lattice constant guess of a = [2.88225567] Angstroms and c = 4.942038986722386 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.358045
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.843925497388758, c = 4.832849264019864, total energy = -13.35804496024421

Attempting to perform relaxation using initial lattice constant guess of a = [2.88225567] Angstroms and c = 5.177374176566309 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.358045
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.843925495402746, c = 4.832849309381004, total energy = -13.35804496024421

Attempting to perform relaxation using initial lattice constant guess of a = [2.88225567] Angstroms and c = 5.4127093664102315 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.358045
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.843925517236179, c = 4.832849207411954, total energy = -13.358044960244204

Attempting to perform relaxation using initial lattice constant guess of a = [2.88225567] Angstroms and c = 5.648044556254154 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.358045
         Iterations: 71
         Function evaluations: 157
Results for this minimization:
  a = 2.843925517786486, c = 4.832849305433548, total energy = -13.358044960244209

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

 Final lattice Constants:
   a = 2.843925497388758 Angstroms, c = 4.832849264019864 Angstroms, c/a = 1.699359

 Total energy: -13.35804496024421 eV

 Cohesive energy: -3.3395112400610527 eV/atom

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