Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001
Computed model cutoff of 5.000000004544876 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: -13.286476
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.86748934015632, total energy = -13.286476042221423

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: -13.286476
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8674893286544823, total energy = -13.28647604222142

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: -13.286476
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.867489331634715, total energy = -13.286476042221429

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: -13.286476
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.867489339387982, total energy = -13.286476042221421

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: -13.286476
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.867489326000217, total energy = -13.286476042221416

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: -13.286476
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.867489330330865, total energy = -13.286476042221414

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: -13.286476
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8674893304705624, total energy = -13.286476042221423

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: -13.286476
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8674893305578735, total energy = -13.28647604222142

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: -13.286476
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.86748934015632, total energy = -13.286476042221418

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: -13.286476
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8674893547082343, total energy = -13.286476042221414

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: -13.286476
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8674893365125165, total energy = -13.286476042221421

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: -13.286476
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.86748933091876, total energy = -13.286476042221418

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: -13.286476
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.867489330470562, total energy = -13.286476042221418

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: -13.286476
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.867489330470562, total energy = -13.286476042221418

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: -13.286476
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.867489316081629, total energy = -13.286476042221409

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: -13.286476
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.867489349306561, total energy = -13.28647604222142

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: -13.286476
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.867489330191165, total energy = -13.28647604222142

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: -13.286476
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.867489354684949, total energy = -13.286476042221414

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: -13.286476
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8674893383518776, total energy = -13.28647604222142

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: -13.286476
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8674893449991936, total energy = -13.286476042221423

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: -13.286476
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8674893565475936, total energy = -13.286476042221413

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: -13.286476
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8674893304705598, total energy = -13.286476042221418

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: -13.286476
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8674893305578735, total energy = -13.286476042221416

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: -13.286476
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.867489348910746, total energy = -13.286476042221423

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: -13.286476
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8674893379211417, total energy = -13.286476042221418

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: -13.286476
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8674893460469333, total energy = -13.28647604222142

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: -13.286476
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8674893511459216, total energy = -13.286476042221418

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: -13.286476
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.867489333730191, total energy = -13.286476042221418

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: -13.286476
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 2.867489363439377, total energy = -13.286476042221413

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: -13.286476
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8674893262155807, total energy = -13.286476042221418

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: -13.286476
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.867489342531191, total energy = -13.286476042221421

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: -13.286476
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.867489344859492, total energy = -13.286476042221418

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: -13.286476
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8674893397837877, total energy = -13.286476042221418

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: -13.286476
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.867489323019977, total energy = -13.28647604222141

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86748933] Angstroms and c = 3.7460723762023607 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.86748933] Angstroms and c = 3.9802018997150084 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.86748933] Angstroms and c = 4.214331423227656 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.86748933] Angstroms and c = 4.448460946740304 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.86748933] Angstroms and c = 4.6825904702529515 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.86748933] Angstroms and c = 4.916719993765599 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.86748933] Angstroms and c = 5.150849517278247 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.86748933] Angstroms and c = 5.384979040790895 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.86748933] Angstroms and c = 5.619108564303542 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [2.86748933] Angstroms, c = [4.68259047] Angstroms, c/a = 1.632993

 Total energy: -13.286476042221429 eV

 Cohesive energy: -3.321619010555357 eV/atom

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