Element = Lattice = Model = Element: Al
Lattice: hcp
Model: Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
Computed model cutoff of 6.1961461409554275 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: -13.487319
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8527808099985155, total energy = -13.487318642273875

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: -13.487319
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8527808114886284, total energy = -13.487318642273868

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: -13.487319
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8527807891368866, total energy = -13.48731864227387

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: -13.487319
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8527807915001233, total energy = -13.48731864227389

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: -13.487319
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.85278078913689, total energy = -13.487318642273872

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: -13.487319
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.852780794352295, total energy = -13.487318642273873

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: -13.487319
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.852780778706074, total energy = -13.487318642273873

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: -13.487319
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8527807891368866, total energy = -13.487318642273873

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: -13.487319
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.85278077563271, total energy = -13.487318642273843

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: -13.487319
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8527808280661704, total energy = -13.487318642273856

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: -13.487319
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.852780804259238, total energy = -13.48731864227388

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: -13.487319
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.852780828438698, total energy = -13.487318642273868

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: -13.487319
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8527807891368866, total energy = -13.487318642273868

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: -13.487319
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.852780789136887, total energy = -13.487318642273864

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: -13.487319
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.852780789323152, total energy = -13.487318642273852

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: -13.487319
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8527808047831056, total energy = -13.487318642273864

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: -13.487319
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8527807891368866, total energy = -13.487318642273864

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: -13.487319
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.8527808008220745, total energy = -13.487318642273868

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: -13.487319
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.852780801313928, total energy = -13.487318642273863

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: -13.487319
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8527808047831056, total energy = -13.487318642273856

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: -13.487319
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8527807891368857, total energy = -13.487318642273866

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: -13.487319
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.852780812792478, total energy = -13.487318642273864

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: -13.487319
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8527807891368866, total energy = -13.487318642273864

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: -13.487319
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8527808040496865, total energy = -13.487318642273847

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: -13.487319
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.85278080999851, total energy = -13.487318642273857

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: -13.487319
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.852780780615286, total energy = -13.487318642273857

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: -13.487319
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8527808027341943, total energy = -13.487318642273857

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: -3.896712
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 4.9182600848726, total energy = -3.896711863774955

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: -3.896712
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.918260085489601, total energy = -3.8967118637749545

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: -3.896712
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.918260087631644, total energy = -3.8967118637749545

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: -3.896712
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 4.918260089438991, total energy = -3.896711863774955

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: -3.896712
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.918260085445945, total energy = -3.896711863774955

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: -3.896712
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.918260069563985, total energy = -3.8967118637749536

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: -3.896712
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.918260093568824, total energy = -3.896711863774955

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.896712
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.9182600818574445, total energy = -3.8967118637749545

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.896712
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.9182600772939615, total energy = -3.8967118637749545

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.896712
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.918260079156607, total energy = -3.8967118637749545

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.896712
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.918260094709694, total energy = -3.8967118637749536

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.896712
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.918260085873769, total energy = -3.8967118637749545

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.896712
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.918260086840018, total energy = -3.896711863774955

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.896712
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.918260084092616, total energy = -3.896711863774954

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.43125, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.896712
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.91826007142663, total energy = -3.8967118637749536

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.85278079] Angstroms and c = 3.726857219833829 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.490582
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.8368446677244625, c = 4.714177463535442, total energy = -13.490581661871618

Attempting to perform relaxation using initial lattice constant guess of a = [2.85278079] Angstroms and c = 3.9597857960734433 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.490582
         Iterations: 73
         Function evaluations: 160
Results for this minimization:
  a = 2.8368446761974826, c = 4.714177511591432, total energy = -13.490581661871618

Attempting to perform relaxation using initial lattice constant guess of a = [2.85278079] Angstroms and c = 4.192714372313057 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.490582
         Iterations: 65
         Function evaluations: 141
Results for this minimization:
  a = 2.8368446706009287, c = 4.714177345545394, total energy = -13.490581661871618

Attempting to perform relaxation using initial lattice constant guess of a = [2.85278079] Angstroms and c = 4.425642948552673 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.490582
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.8368446670236045, c = 4.714177356323168, total energy = -13.490581661871609

Attempting to perform relaxation using initial lattice constant guess of a = [2.85278079] Angstroms and c = 4.658571524792286 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.490582
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.8368446485315677, c = 4.714177510998653, total energy = -13.490581661871614

Attempting to perform relaxation using initial lattice constant guess of a = [2.85278079] Angstroms and c = 4.891500101031902 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.490582
         Iterations: 65
         Function evaluations: 144
Results for this minimization:
  a = 2.836844670504685, c = 4.7141773744280515, total energy = -13.490581661871632

Attempting to perform relaxation using initial lattice constant guess of a = [2.85278079] Angstroms and c = 5.124428677271515 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.490582
         Iterations: 78
         Function evaluations: 159
Results for this minimization:
  a = 2.8368446669069143, c = 4.714177355304772, total energy = -13.490581661871616

Attempting to perform relaxation using initial lattice constant guess of a = [2.85278079] Angstroms and c = 5.357357253511131 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.490582
         Iterations: 74
         Function evaluations: 164
Results for this minimization:
  a = 2.8368446528845173, c = 4.71417739337474, total energy = -13.490581661871625

Attempting to perform relaxation using initial lattice constant guess of a = [2.85278079] Angstroms and c = 5.590285829750744 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.490582
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.836844680842632, c = 4.7141774192438515, total energy = -13.490581661871618

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

 Final lattice Constants:
   a = 2.836844670504685 Angstroms, c = 4.7141773744280515 Angstroms, c/a = 1.661768

 Total energy: -13.490581661871632 eV

 Cohesive energy: -3.372645415467908 eV/atom

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