Element = Lattice = Model = Element: Al
Lattice: hcp
Model: Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
Computed model cutoff of 6.287210001610256 Angstroms
Computed isolated atomic energy of -5.878284109472887e-10 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: -13.302314
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8728237159550227, total energy = -13.302314475034743

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: -13.302314
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8728236854076385, total energy = -13.30231447503472

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: -13.302314
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.872823713347316, total energy = -13.30231447503474

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: -13.302314
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8728237502276963, total energy = -13.302314475034715

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: -13.302314
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8728237032890354, total energy = -13.302314475034738

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: -13.302314
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8728237061994166, total energy = -13.302314475034738

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: -13.302314
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8728237159550187, total energy = -13.30231447503474

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: -13.302314
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.872823713347316, total energy = -13.30231447503474

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: -13.302314
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.8728237025439762, total energy = -13.302314475034738

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: -13.302314
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8728236980736273, total energy = -13.302314475034736

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: -13.302314
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.872823685355253, total energy = -13.302314475034724

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: -13.302314
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.872823715873527, total energy = -13.302314475034734

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: -13.302314
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8728237450122833, total energy = -13.302314475034725

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: -13.302314
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8728237133473153, total energy = -13.302314475034738

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: -13.302314
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.872823725384661, total energy = -13.302314475034729

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: -13.302314
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.872823702543974, total energy = -13.30231447503473

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: -13.302314
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8728237213101235, total energy = -13.302314475034727

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: -13.302314
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8728237212635577, total energy = -13.302314475034732

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: -13.302314
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8728237083181734, total energy = -13.302314475034741

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: -13.302314
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8728236954659216, total energy = -13.302314475034727

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: -13.302314
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.872823731601237, total energy = -13.302314475034725

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: -13.302314
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.872823726292698, total energy = -13.302314475034722

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: -13.302314
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.872823713347316, total energy = -13.302314475034729

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: -13.302314
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.872823704243635, total energy = -13.302314475034729

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: -13.302314
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.872823703289032, total energy = -13.302314475034736

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: -13.302314
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8728237133473176, total energy = -13.302314475034725

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: -13.302314
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8728236854076368, total energy = -13.30231447503472

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: -13.302314
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8728237264876952, total energy = -13.30231447503473

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: -13.302314
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8728237124392724, total energy = -13.302314475034725

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: -13.302314
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.8728237065835844, total energy = -13.302314475034729

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: -13.302314
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8728237306932, total energy = -13.302314475034725

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: -13.302314
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8728237083181707, total energy = -13.302314475034736

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: -13.302314
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8728237450122833, total energy = -13.302314475034722

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: -13.302314
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8728237113566086, total energy = -13.30231447503473

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: -13.302314
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8728237132250776, total energy = -13.30231447503473

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: -13.302314
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8728237342089438, total energy = -13.302314475034725

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: -13.302314
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.872823726152999, total energy = -13.30231447503472

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: -13.302314
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.872823721030727, total energy = -13.302314475034727

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: -13.302314
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8728237025439682, total energy = -13.302314475034725

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: -13.302314
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.872823708405483, total energy = -13.302314475034725

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: -13.302314
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.87282372619956, total energy = -13.302314475034727

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: -13.302314
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8728237078874335, total energy = -13.302314475034738

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: -13.302314
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8728237189352512, total energy = -13.302314475034732

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.302314
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8728237210307244, total energy = -13.30231447503473

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.87282372] Angstroms and c = 3.753041186696578 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.8191119985896598, c = 4.944481588129856, total energy = -13.328854949860286

Attempting to perform relaxation using initial lattice constant guess of a = [2.87282372] Angstroms and c = 3.987606260865114 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 2.8191119811809737, c = 4.944481734838928, total energy = -13.328854949860283

Attempting to perform relaxation using initial lattice constant guess of a = [2.87282372] Angstroms and c = 4.22217133503365 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.819111993819859, c = 4.944481656221873, total energy = -13.328854949860288

Attempting to perform relaxation using initial lattice constant guess of a = [2.87282372] Angstroms and c = 4.456736409202186 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.819112028331202, c = 4.944481490719528, total energy = -13.32885494986029

Attempting to perform relaxation using initial lattice constant guess of a = [2.87282372] Angstroms and c = 4.691301483370722 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.8191120114663057, c = 4.9444815368686035, total energy = -13.328854949860283

Attempting to perform relaxation using initial lattice constant guess of a = [2.87282372] Angstroms and c = 4.925866557539258 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.81911199632306, c = 4.944481651957684, total energy = -13.328854949860283

Attempting to perform relaxation using initial lattice constant guess of a = [2.87282372] Angstroms and c = 5.1604316317077945 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.819111998496748, c = 4.944481601471117, total energy = -13.328854949860288

Attempting to perform relaxation using initial lattice constant guess of a = [2.87282372] Angstroms and c = 5.394996705876331 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.8191120044185896, c = 4.9444816521040735, total energy = -13.328854949860283

Attempting to perform relaxation using initial lattice constant guess of a = [2.87282372] Angstroms and c = 5.629561780044867 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.328855
         Iterations: 79
         Function evaluations: 160
Results for this minimization:
  a = 2.8191119977525814, c = 4.94448169109484, total energy = -13.328854949860292

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

 Final lattice Constants:
   a = 2.8191119977525814 Angstroms, c = 4.94448169109484 Angstroms, c/a = 1.753915

 Total energy: -13.328854949860292 eV

 Cohesive energy: -3.332213737465073 eV/atom

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