Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_000
Computed model cutoff of 3.999999990463257 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: -13.341574
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.865125954151157, total energy = -13.341573957147054

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: -13.341574
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8651259467005725, total energy = -13.341573957147055

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: -13.341574
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8651259392499924, total energy = -13.341573957147057

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: -13.341574
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.865125948470092, total energy = -13.34157395714706

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: -13.341574
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.865125942230227, total energy = -13.341573957147057

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: -13.341574
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8651259424514146, total energy = -13.34157395714706

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: -13.341574
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.865125945582988, total energy = -13.341573957147055

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: -13.341574
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8651259515900165, total energy = -13.341573957147055

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: -13.341574
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8651259364560273, total energy = -13.341573957147057

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: -13.341574
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.865125940507278, total energy = -13.341573957147059

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: -13.341574
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.8651259332895282, total energy = -13.341573957147057

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: -13.341574
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.865125943510791, total energy = -13.341573957147059

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: -13.341574
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8651259439066052, total energy = -13.341573957147057

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: -13.341574
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.865125945582986, total energy = -13.341573957147059

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: -13.341574
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8651259392499924, total energy = -13.341573957147055

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: -13.341574
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.8651259406731695, total energy = -13.341573957147057

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: -13.341574
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8651259433478105, total energy = -13.341573957147057

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: -13.341574
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.865125937387347, total energy = -13.341573957147057

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: -13.341574
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8651259351870975, total energy = -13.341573957147055

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: -13.341574
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8651259525679045, total energy = -13.341573957147057

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: -13.341574
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8651259429752822, total energy = -13.341573957147057

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: -13.341574
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.865125945489852, total energy = -13.341573957147059

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: -13.341574
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.865125946700573, total energy = -13.341573957147055

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: -13.341574
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.865125943243035, total energy = -13.341573957147059

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: -13.341574
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8651259422302235, total energy = -13.341573957147059

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86512595] Angstroms and c = 3.7429848653650217 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.356407
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.830153063544742, c = 4.795133115840672, total energy = -13.356406874580793

Attempting to perform relaxation using initial lattice constant guess of a = [2.86512595] Angstroms and c = 3.9769214194503357 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.356407
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.830153071543891, c = 4.795133111228105, total energy = -13.356406874580795

Attempting to perform relaxation using initial lattice constant guess of a = [2.86512595] Angstroms and c = 4.210857973535649 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.356407
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.8301530668469432, c = 4.795133086033322, total energy = -13.356406874580795

Attempting to perform relaxation using initial lattice constant guess of a = [2.86512595] Angstroms and c = 4.444794527620964 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.356407
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.8301530824242778, c = 4.7951331086685, total energy = -13.356406874580792

Attempting to perform relaxation using initial lattice constant guess of a = [2.86512595] Angstroms and c = 4.678731081706278 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.356407
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.8301530520348743, c = 4.7951331506303685, total energy = -13.356406874580792

Attempting to perform relaxation using initial lattice constant guess of a = [2.86512595] Angstroms and c = 4.912667635791592 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.356407
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.8301530628059304, c = 4.795133086805791, total energy = -13.356406874580792

Attempting to perform relaxation using initial lattice constant guess of a = [2.86512595] Angstroms and c = 5.146604189876905 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.356407
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 2.8301530768421808, c = 4.795133099644567, total energy = -13.35640687458079

Attempting to perform relaxation using initial lattice constant guess of a = [2.86512595] Angstroms and c = 5.38054074396222 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.356407
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.830153073828268, c = 4.795133081162855, total energy = -13.356406874580795

Attempting to perform relaxation using initial lattice constant guess of a = [2.86512595] Angstroms and c = 5.614477298047534 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.356407
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.830153053584217, c = 4.795133107449855, total energy = -13.356406874580793

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

 Final lattice Constants:
   a = 2.830153071543891 Angstroms, c = 4.795133111228105 Angstroms, c/a = 1.694302

 Total energy: -13.356406874580795 eV

 Cohesive energy: -3.339101718645199 eV/atom

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