Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_000
Computed model cutoff of 4.5000000042096095 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: 81
Results for this minimization:
  a = 2.866634285449985, total energy = -13.307991835059555

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: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8666342735290526, total energy = -13.307991835059552

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: 84
Results for this minimization:
  a = 2.866634279489517, total energy = -13.30799183505955

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: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8666342768818196, total energy = -13.307991835059557

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: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.866634272411469, total energy = -13.307991835059555

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: 79
Results for this minimization:
  a = 2.8666342809796355, total energy = -13.30799183505955

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: 76
Results for this minimization:
  a = 2.8666342867538335, total energy = -13.307991835059553

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: 76
Results for this minimization:
  a = 2.8666342893848196, total energy = -13.307991835059552

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: 75
Results for this minimization:
  a = 2.866634276509288, total energy = -13.307991835059552

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8666342788725183, total energy = -13.307991835059555

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 = 2.866634284844623, total energy = -13.307991835059555

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: 75
Results for this minimization:
  a = 2.8666342723183322, total energy = -13.307991835059548

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: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.866634294623509, total energy = -13.307991835059552

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: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8666342997923495, total energy = -13.307991835059552

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.8666342870623347, total energy = -13.307991835059557

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: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.866634281515144, total energy = -13.30799183505955

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: 70
Results for this minimization:
  a = 2.866634288057684, total energy = -13.307991835059553

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 = 2.866634282981977, total energy = -13.307991835059555

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: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.8666342830983913, total energy = -13.307991835059559

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8666342783486476, total energy = -13.307991835059553

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: 74
Results for this minimization:
  a = 2.8666342854499813, total energy = -13.307991835059555

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.866634279047137, total energy = -13.307991835059553

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: 74
Results for this minimization:
  a = 2.8666342879878357, total energy = -13.30799183505955

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: 77
Results for this minimization:
  a = 2.8666342765092825, total energy = -13.307991835059555

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 = 2.866634286940097, total energy = -13.307991835059553

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8666342768818147, total energy = -13.307991835059552

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8666342790704205, total energy = -13.307991835059553

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: 82
Results for this minimization:
  a = 2.8666342845535837, total energy = -13.307991835059552

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: 81
Results for this minimization:
  a = 2.866634276829423, total energy = -13.307991835059553

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: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.86663428308675, total energy = -13.307991835059552

==============================================================================
==============================================================================
 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 = 3.7449553454720634 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.832556379064614, c = 4.794639591055407, total energy = -13.321925797615071

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 3.9790150545640675 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.8325563657418744, c = 4.794639604959233, total energy = -13.321925797615076

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.2130747636560715 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.8325563719071645, c = 4.794639600046118, total energy = -13.321925797615071

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.4471344727480755 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 61
         Function evaluations: 133
Results for this minimization:
  a = 2.8325563646818956, c = 4.7946396026182665, total energy = -13.321925797615073

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.6811941818400795 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.8325563708872834, c = 4.794639589160664, total energy = -13.321925797615071

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.9152538909320835 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.83255636852655, c = 4.794639625472918, total energy = -13.321925797615075

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.149313600024088 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.832556371631282, c = 4.794639552735493, total energy = -13.321925797615073

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.383373309116092 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.8325563728896945, c = 4.7946396283334405, total energy = -13.321925797615075

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.617433018208096 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 80
         Function evaluations: 167
Results for this minimization:
  a = 2.832556368656219, c = 4.7946395646208915, total energy = -13.321925797615071

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

 Final lattice Constants:
   a = 2.8325563657418744 Angstroms, c = 4.794639604959233 Angstroms, c/a = 1.692690

 Total energy: -13.321925797615076 eV

 Cohesive energy: -3.330481449403769 eV/atom

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