Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000
Computed model cutoff of 3.7360000076890048 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cu

==============================================================================
==============================================================================
 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: -16.184527
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.556471422128384, total energy = -16.184526775144953

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: -16.184527
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.556471454678104, total energy = -16.18452677514497

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: -16.184527
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5564714455977082, total energy = -16.184526775144953

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: -16.184527
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.55647144268733, total energy = -16.184526775144963

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: -16.184527
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5564714372158077, total energy = -16.184526775144967

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: -16.184527
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5564714628504603, total energy = -16.184526775144956

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: -16.184527
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5564714320003996, total energy = -16.184526775144963

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: -16.184527
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5564714539796114, total energy = -16.184526775144974

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: -16.184527
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.556471455097201, total energy = -16.18452677514496

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: -16.184527
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5564714343287056, total energy = -16.184526775144967

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: -16.184527
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.556471468508244, total energy = -16.184526775144978

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: -16.184527
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5564714408479627, total energy = -16.184526775144963

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: -16.184527
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5564714539796114, total energy = -16.184526775144978

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: -16.184527
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.556471476331353, total energy = -16.184526775144953

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: -16.184527
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5564714434556657, total energy = -16.18452677514498

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: -16.184527
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5564714601787264, total energy = -16.184526775144963

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: -16.184527
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.556471446156501, total energy = -16.184526775144967

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: -16.184527
         Iterations: 36
         Function evaluations: 73
Results for this minimization:
  a = 2.556471436910215, total energy = -16.184526775144967

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: -16.184527
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5564714528620245, total energy = -16.18452677514497

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: -16.184527
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5564714458771043, total energy = -16.18452677514498

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: -16.184527
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.556471437541767, total energy = -16.184526775144974

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: -16.184527
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5564714454812907, total energy = -16.184526775144988

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: -16.184527
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5564714532811195, total energy = -16.184526775144974

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55647145] Angstroms and c = 3.3397603111597367 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.340379
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.4932893253365944, c = 4.429528817023326, total energy = -16.340378586365013

Attempting to perform relaxation using initial lattice constant guess of a = [2.55647145] Angstroms and c = 3.54849533060722 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.340379
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 2.493289316690516, c = 4.4295288188504855, total energy = -16.34037858636502

Attempting to perform relaxation using initial lattice constant guess of a = [2.55647145] Angstroms and c = 3.7572303500547037 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.340379
         Iterations: 75
         Function evaluations: 152
Results for this minimization:
  a = 2.493289325377341, c = 4.4295288617981345, total energy = -16.340378586365027

Attempting to perform relaxation using initial lattice constant guess of a = [2.55647145] Angstroms and c = 3.9659653695021873 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.340379
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.4932893205133495, c = 4.429528875979448, total energy = -16.34037858636501

Attempting to perform relaxation using initial lattice constant guess of a = [2.55647145] Angstroms and c = 4.17470038894967 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.340379
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.4932893146285346, c = 4.429528832045441, total energy = -16.340378586365006

Attempting to perform relaxation using initial lattice constant guess of a = [2.55647145] Angstroms and c = 4.383435408397155 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.340379
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.4932893234383835, c = 4.429528901352818, total energy = -16.340378586365016

Attempting to perform relaxation using initial lattice constant guess of a = [2.55647145] Angstroms and c = 4.592170427844637 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.340379
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.493289327865128, c = 4.429528818841781, total energy = -16.340378586365013

Attempting to perform relaxation using initial lattice constant guess of a = [2.55647145] Angstroms and c = 4.800905447292122 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.340379
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.493289337146165, c = 4.4295288826509776, total energy = -16.340378586365023

Attempting to perform relaxation using initial lattice constant guess of a = [2.55647145] Angstroms and c = 5.009640466739604 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.340379
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.493289325193364, c = 4.42952884487153, total energy = -16.34037858636502

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

 Final lattice Constants:
   a = 2.493289325377341 Angstroms, c = 4.4295288617981345 Angstroms, c/a = 1.776580

 Total energy: -16.340378586365027 eV

 Cohesive energy: -4.085094646591257 eV/atom

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