Element = Lattice = Model = Element: Be
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 6.8421000054478895 Angstroms
Computed isolated atomic energy of 0.0 eV for species Be

==============================================================================
==============================================================================
 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: -19.083721
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 1.8673385590314886, total energy = -19.083720768354407

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: -19.083721
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 1.867338560521603, total energy = -19.083720768354407

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: -19.083721
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 1.8673385605216026, total energy = -19.083720768354404

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: -19.083721
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 1.8673385838512349, total energy = -19.083720768354315

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: -19.083721
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 1.8673385582864297, total energy = -19.083720768354414

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: -19.083721
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 1.867338571231813, total energy = -19.08372076835438

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: -19.083721
         Iterations: 31
         Function evaluations: 68
Results for this minimization:
  a = 1.8673385605216029, total energy = -19.083720768354407

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: -19.083721
         Iterations: 31
         Function evaluations: 67
Results for this minimization:
  a = 1.8673385606089141, total energy = -19.083720768354436

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: -19.083721
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 1.8673385582864284, total energy = -19.083720768354443

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: -19.083721
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.867338555678725, total energy = -19.083720768354365

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: -19.083721
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.8673385607311492, total energy = -19.083720768354407

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: -19.083721
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 1.8673385655041785, total energy = -19.083720768354446

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: -19.083721
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 1.8673385605216026, total energy = -19.08372076835441

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: -19.083721
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 1.8673385600326573, total energy = -19.08372076835448

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: -19.083721
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 1.8673385838512317, total energy = -19.083720768354294

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: -19.083721
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 1.867338576380278, total energy = -19.083720768354347

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: -19.083721
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 1.8673385582864261, total energy = -19.083720768354446

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: -19.083721
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 1.8673385449801572, total energy = -19.083720768354322

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: -19.083721
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 1.8673385712318107, total energy = -19.08372076835442

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: -19.083721
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 1.8673385541304, total energy = -19.08372076835438

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: -19.083721
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 1.8673385604401114, total energy = -19.083720768354407

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: -19.083721
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 1.8673385733913128, total energy = -19.083720768354414

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: -19.083721
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 1.8673385606089141, total energy = -19.08372076835443

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: -19.083721
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 1.8673385551664923, total energy = -19.08372076835433

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: -19.083721
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 1.8673385582864266, total energy = -19.08372076835444

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: -19.083721
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 1.8673385669477305, total energy = -19.083720768354404

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: -19.083721
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 1.8673385556787214, total energy = -19.08372076835436

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: -19.083721
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 1.8673385605216026, total energy = -19.083720768354404

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: -19.083721
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 1.867338560731144, total energy = -19.08372076835444

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: -19.083721
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 1.86733856461942, total energy = -19.083720768354386

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: -19.083721
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 1.8673385655041803, total energy = -19.083720768354468

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: -19.083721
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 1.8673385410773293, total energy = -19.083720768354297

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: -19.083721
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 1.8673385605216026, total energy = -19.08372076835441

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: -19.083721
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 1.8673385478556086, total energy = -19.08372076835437

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: -19.083721
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 1.8673385612550166, total energy = -19.083720768354397

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: -19.083721
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 1.867338569238202, total energy = -19.083720768354365

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: -19.083721
         Iterations: 43
         Function evaluations: 89
Results for this minimization:
  a = 1.8673385828267735, total energy = -19.083720768354294

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.5625 Angstroms and c = -0.9185586535436918 Angstroms; the model cutoff was estimated to be 6.8421000054478895 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.5750000000000117 Angstroms and c = -0.9389710680669041 Angstroms; the model cutoff was estimated to be 6.8421000054478895 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.5875000000000039 Angstroms and c = -0.9593834825900844 Angstroms; the model cutoff was estimated to be 6.8421000054478895 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 6.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6000000000000156 Angstroms and c = -0.9797958971132967 Angstroms; the model cutoff was estimated to be 6.8421000054478895 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 6.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6125000000000078 Angstroms and c = -1.000208311636477 Angstroms; the model cutoff was estimated to be 6.8421000054478895 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 6.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.625 Angstroms and c = -1.0206207261596576 Angstroms; the model cutoff was estimated to be 6.8421000054478895 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 6.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6375000000000028 Angstroms and c = -1.0410331406828552 Angstroms; the model cutoff was estimated to be 6.8421000054478895 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 6.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6500000000000128 Angstroms and c = -1.0614455552060647 Angstroms; the model cutoff was estimated to be 6.8421000054478895 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 6.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6625000000000156 Angstroms and c = -1.0818579697292625 Angstroms; the model cutoff was estimated to be 6.8421000054478895 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 6.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6750000000000078 Angstroms and c = -1.1022703842524428 Angstroms; the model cutoff was estimated to be 6.8421000054478895 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 6.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6875 Angstroms and c = -1.1226827987756234 Angstroms; the model cutoff was estimated to be 6.8421000054478895 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [1.86733856] Angstroms and c = 2.4394808795218688 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.083721
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 1.8673261400019752, c = 3.0493916711224127, total energy = -19.083720801229294

Attempting to perform relaxation using initial lattice constant guess of a = [1.86733856] Angstroms and c = 2.5919484344919854 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.083721
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 1.8673261495385205, c = 3.0493916007663575, total energy = -19.083720801229315

Attempting to perform relaxation using initial lattice constant guess of a = [1.86733856] Angstroms and c = 2.744415989462102 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.083721
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 1.867326138252145, c = 3.04939167990715, total energy = -19.08372080122927

Attempting to perform relaxation using initial lattice constant guess of a = [1.86733856] Angstroms and c = 2.8968835444322187 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.083721
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 1.8673261562334285, c = 3.0493916530896303, total energy = -19.083720801229287

Attempting to perform relaxation using initial lattice constant guess of a = [1.86733856] Angstroms and c = 3.0493510994023354 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.083721
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 1.867326153821264, c = 3.0493916316359, total energy = -19.083720801229273

Attempting to perform relaxation using initial lattice constant guess of a = [1.86733856] Angstroms and c = 3.201818654372452 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.083721
         Iterations: 76
         Function evaluations: 151
Results for this minimization:
  a = 1.8673261466707658, c = 3.0493916600803166, total energy = -19.08372080122927

Attempting to perform relaxation using initial lattice constant guess of a = [1.86733856] Angstroms and c = 3.3542862093425687 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.083721
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 1.8673261484109882, c = 3.049391647169684, total energy = -19.083720801229312

Attempting to perform relaxation using initial lattice constant guess of a = [1.86733856] Angstroms and c = 3.5067537643126854 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.083721
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 1.867326158220676, c = 3.0493916607344467, total energy = -19.08372080122925

Attempting to perform relaxation using initial lattice constant guess of a = [1.86733856] Angstroms and c = 3.659221319282802 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.083721
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 1.8673261420408978, c = 3.049391692690877, total energy = -19.083720801229234

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

 Final lattice Constants:
   a = 1.8673261495385205 Angstroms, c = 3.0493916007663575 Angstroms, c/a = 1.633026

 Total energy: -19.083720801229315 eV

 Cohesive energy: -4.770930200307329 eV/atom

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