Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_000
Computed model cutoff of 5.099999992623944 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: -13.503869
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8612152211368116, total energy = -13.50386896280265

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: -13.503869
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.8612152457237245, total energy = -13.503868962802654

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: -13.503869
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8612152356654406, total energy = -13.503868962802654

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: -13.503869
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8612152406945883, total energy = -13.503868962802649

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: -13.503869
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.861215235665444, total energy = -13.503868962802658

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: -13.503869
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.861215246468784, total energy = -13.503868962802654

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: -13.503869
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.861215260438621, total energy = -13.503868962802645

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: -13.503869
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.861215235752752, total energy = -13.503868962802654

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: -13.503869
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8612152427434943, total energy = -13.50386896280265

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: -13.503869
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8612152402289226, total energy = -13.503868962802645

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: -13.503869
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.861215246561916, total energy = -13.503868962802654

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: -13.503869
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8612152486864937, total energy = -13.503868962802656

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: -13.503869
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8612152188434266, total energy = -13.50386896280265

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: -13.503869
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8612152356043232, total energy = -13.503868962802654

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: -13.503869
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8612152429996063, total energy = -13.503868962802649

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: -13.503869
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8612152319401503, total energy = -13.503868962802656

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: -13.503869
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8612152435583997, total energy = -13.503868962802654

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: -13.503869
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8612152380810585, total energy = -13.503868962802658

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: -13.503869
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8612152464687814, total energy = -13.503868962802652

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: -13.503869
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.861215240275486, total energy = -13.503868962802656

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: -13.503869
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.861215264350175, total energy = -13.50386896280264

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: -13.503869
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8612152572721223, total energy = -13.503868962802658

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: -13.503869
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8612152356654406, total energy = -13.503868962802658

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: -13.503869
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.861215230263767, total energy = -13.50386896280266

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: -13.503869
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.861215249076483, total energy = -13.503868962802645

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: -13.503869
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8612152406945834, total energy = -13.50386896280265

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: -13.503869
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8612152481451605, total energy = -13.503868962802656

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: -13.503869
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8612152356654406, total energy = -13.503868962802656

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: -13.503869
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8612152356654375, total energy = -13.50386896280265

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: -13.503869
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.861215250683016, total energy = -13.503868962802658

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: -13.503869
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.861215244373308, total energy = -13.503868962802661

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: -13.503869
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.861215228610669, total energy = -13.50386896280265

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.25, total energy = 0.0

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: -13.503869
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8612152504851065, total energy = -13.503868962802647

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86121524] Angstroms and c = 3.7378759429265505 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.507700
         Iterations: 76
         Function evaluations: 163
Results for this minimization:
  a = 2.8852628873894077, c = 4.596935733054864, total energy = -13.507699985854648

Attempting to perform relaxation using initial lattice constant guess of a = [2.86121524] Angstroms and c = 3.97149318935946 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.507700
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.8852628716502946, c = 4.596935753312682, total energy = -13.507699985854643

Attempting to perform relaxation using initial lattice constant guess of a = [2.86121524] Angstroms and c = 4.205110435792369 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.507700
         Iterations: 74
         Function evaluations: 149
Results for this minimization:
  a = 2.885262886110468, c = 4.596935716034027, total energy = -13.507699985854638

Attempting to perform relaxation using initial lattice constant guess of a = [2.86121524] Angstroms and c = 4.438727682225279 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.507700
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.8852628897528847, c = 4.596935676842202, total energy = -13.507699985854641

Attempting to perform relaxation using initial lattice constant guess of a = [2.86121524] Angstroms and c = 4.6723449286581875 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.507700
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.8852628886775755, c = 4.596935690588083, total energy = -13.50769998585464

Attempting to perform relaxation using initial lattice constant guess of a = [2.86121524] Angstroms and c = 4.905962175091098 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.507700
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.885262871410845, c = 4.596935715545498, total energy = -13.50769998585464

Attempting to perform relaxation using initial lattice constant guess of a = [2.86121524] Angstroms and c = 5.139579421524006 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.507700
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.8852628772189535, c = 4.596935711340247, total energy = -13.50769998585464

Attempting to perform relaxation using initial lattice constant guess of a = [2.86121524] Angstroms and c = 5.3731966679569165 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.507700
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.885262871755433, c = 4.596935716373679, total energy = -13.507699985854641

Attempting to perform relaxation using initial lattice constant guess of a = [2.86121524] Angstroms and c = 5.606813914389825 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.507700
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.885262887756369, c = 4.596935708265622, total energy = -13.50769998585464

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

 Final lattice Constants:
   a = 2.8852628873894077 Angstroms, c = 4.596935733054864 Angstroms, c/a = 1.593247

 Total energy: -13.507699985854648 eV

 Cohesive energy: -3.376924996463662 eV/atom

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