Element = Lattice = Model = Element: Al
Lattice: hcp
Model: Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000
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: -15.573383
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8644073486328168, total energy = -15.573383231551112

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: -15.573383
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.864407376828604, total energy = -15.57338323155112

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: -15.573383
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8644073577597737, total energy = -15.573383231551123

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: -15.573383
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.864407362043864, total energy = -15.573383231551105

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: -15.573383
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.864407324790957, total energy = -15.57338323155108

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: -15.573383
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.864407370984556, total energy = -15.573383231551116

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: -15.573383
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8644073606934404, total energy = -15.573383231551109

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: -15.573383
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8644073828181718, total energy = -15.573383231551116

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: -15.573383
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8644073843956015, total energy = -15.57338323155112

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: -15.573383
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8644073673989636, total energy = -15.573383231551126

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: -15.573383
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.864407382695936, total energy = -15.573383231551123

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: -15.573383
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8644073458737687, total energy = -15.573383231551112

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: -15.573383
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8644073847681284, total energy = -15.573383231551116

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: -15.573383
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8644073694944385, total energy = -15.573383231551123

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: -15.573383
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8644073625560855, total energy = -15.573383231551112

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: -15.573383
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.864407367072999, total energy = -15.57338323155113

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: -15.573383
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.864407376060261, total energy = -15.573383231551137

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: -15.573383
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.864407369561377, total energy = -15.573383231551134

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: -15.573383
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8644073758274304, total energy = -15.573383231551134

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: -15.573383
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8644073771429244, total energy = -15.57338323155113

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: -15.573383
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.864407369331456, total energy = -15.57338323155114

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: -15.573383
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.864407362556084, total energy = -15.573383231551148

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: -15.573383
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8644073602044955, total energy = -15.573383231551137

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: -15.573383
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8644073496514437, total energy = -15.57338323155113

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: -15.573383
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8644073728471984, total energy = -15.573383231551137

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: -15.573383
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.864407363068314, total energy = -15.573383231551137

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: -15.573383
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8644073745235774, total energy = -15.573383231551148

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86440736] Angstroms and c = 3.742046108657997 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.807730
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.7483357622235918, c = 5.10094682615712, total energy = -15.807729801294709

Attempting to perform relaxation using initial lattice constant guess of a = [2.86440736] Angstroms and c = 3.9759239904491217 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.807730
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.7483357963932367, c = 5.100946746961396, total energy = -15.80772980129472

Attempting to perform relaxation using initial lattice constant guess of a = [2.86440736] Angstroms and c = 4.209801872240247 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.807730
         Iterations: 72
         Function evaluations: 159
Results for this minimization:
  a = 2.7483357811376745, c = 5.100946794831982, total energy = -15.80772980129472

Attempting to perform relaxation using initial lattice constant guess of a = [2.86440736] Angstroms and c = 4.443679754031371 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.807730
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.748335792346494, c = 5.100946774061576, total energy = -15.807729801294727

Attempting to perform relaxation using initial lattice constant guess of a = [2.86440736] Angstroms and c = 4.677557635822495 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.807730
         Iterations: 67
         Function evaluations: 151
Results for this minimization:
  a = 2.74833576988105, c = 5.10094675467816, total energy = -15.80772980129472

Attempting to perform relaxation using initial lattice constant guess of a = [2.86440736] Angstroms and c = 4.91143551761362 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.807730
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.7483357965620288, c = 5.100946766872627, total energy = -15.80772980129472

Attempting to perform relaxation using initial lattice constant guess of a = [2.86440736] Angstroms and c = 5.1453133994047455 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.807730
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.748335778263651, c = 5.1009467335820275, total energy = -15.80772980129472

Attempting to perform relaxation using initial lattice constant guess of a = [2.86440736] Angstroms and c = 5.37919128119587 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.807730
         Iterations: 68
         Function evaluations: 153
Results for this minimization:
  a = 2.748335743798222, c = 5.1009468014789014, total energy = -15.80772980129472

Attempting to perform relaxation using initial lattice constant guess of a = [2.86440736] Angstroms and c = 5.613069162986994 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.807730
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.748335762365074, c = 5.100946782043453, total energy = -15.80772980129473

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

 Final lattice Constants:
   a = 2.748335762365074 Angstroms, c = 5.100946782043453 Angstroms, c/a = 1.856013

 Total energy: -15.80772980129473 eV

 Cohesive energy: -3.9519324503236826 eV/atom

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