Element = Lattice = Model = Element: Al
Lattice: hcp
Model: Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_001
Computed model cutoff of 4.200000001229384 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: -13.328710
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8668359994888353, total energy = -13.328710024714454

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: -13.328710
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8668360829353325, total energy = -13.328710024714336

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: -13.328710
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.866836099885404, total energy = -13.328710024713827

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: -13.328710
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8668360862240734, total energy = -13.328710024714084

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: -13.328710
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.866836084891113, total energy = -13.328710024713954

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: -13.328710
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.8668360443320138, total energy = -13.328710024713793

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: -13.328710
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8668361009797083, total energy = -13.328710024713832

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: -13.328710
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.866836090950528, total energy = -13.328710024713832

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: -13.328710
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8668360896408585, total energy = -13.328710024713832

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: -13.328710
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.866836079908535, total energy = -13.32871002471383

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: -13.328710
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.866836086288094, total energy = -13.32871002471383

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: -13.328710
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.866836080839856, total energy = -13.32871002471383

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: -13.328710
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8668361911550164, total energy = -13.32871002471364

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: -13.328710
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8668360871262855, total energy = -13.328710024713573

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: -13.328710
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 2.8668360678479012, total energy = -13.328710024713816

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: -13.328710
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.866836080607027, total energy = -13.328710024713828

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: -13.328710
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.866836100816726, total energy = -13.328710024713825

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: -13.328710
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8668360807932913, total energy = -13.328710024713828

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: -13.328710
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8668360921554257, total energy = -13.32871002471357

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: -13.328710
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.866836094669998, total energy = -13.32871002471357

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: -13.328710
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8668360890820623, total energy = -13.328710024713827

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: -13.328710
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.866836073319427, total energy = -13.328710024713823

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: -13.328710
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.866836089640856, total energy = -13.328710024713828

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: -13.328710
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.866836084617532, total energy = -13.328710024713832

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: -13.328710
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8668360859155646, total energy = -13.32871002471383

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: -13.328710
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8668360985815533, total energy = -13.328710024713825

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: -13.328710
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.866836096928452, total energy = -13.32871002471383

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.866836] Angstroms and c = 3.745218866661047 = ([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 = 4.25 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 = [2.866836] Angstroms and c = 3.9792950458273624 = ([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 = 4.25 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 = [2.866836] Angstroms and c = 4.2133712249936774 = ([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 = 4.25 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 = [2.866836] Angstroms and c = 4.447447404159993 = ([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 = 4.25 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 = [2.866836] Angstroms and c = 4.6815235833263085 = ([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 = 4.25 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 = [2.866836] Angstroms and c = 4.915599762492624 = ([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 = 4.25 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 = [2.866836] Angstroms and c = 5.1496759416589395 = ([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 = 4.25 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 = [2.866836] Angstroms and c = 5.383752120825255 = ([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 = 4.25 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 = [2.866836] Angstroms and c = 5.6178282999915705 = ([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 = 4.25 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 = [2.866836] Angstroms, c = [4.68152358] Angstroms, c/a = 1.632993

 Total energy: -13.328710024714454 eV

 Cohesive energy: -3.3321775061786134 eV/atom

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