Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000
Computed model cutoff of 5.506721761375676 Angstroms
Computed isolated atomic energy of 4.999999999810742e-06 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 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 = 1.125 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 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 = 1.25 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 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 = 1.375 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 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 = 1.5 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.625 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 = 1.625 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.75 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 = 1.75 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.875 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 = 1.875 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.0 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 = 2.0 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.125 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 = 2.125 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


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: -14.131495
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.55283199774567, total energy = -14.13149507605883

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: -14.131495
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5528319934383035, total energy = -14.131495076058847

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: -14.131495
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.552831989247352, total energy = -14.13149507605886

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: -14.131495
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.5528320289507973, total energy = -14.131495076058808

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: -14.131495
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.552831996721215, total energy = -14.131495076058881

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: -14.131495
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.552832019701599, total energy = -14.131495076058789

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: -14.131495
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5528319834265845, total energy = -14.131495076058838

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 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 = 3.125 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


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: -14.131495
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.55283197723329, total energy = -14.13149507605883

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: -14.131495
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5528319891542184, total energy = -14.131495076058824

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 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 = 3.5 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 3.625 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 = 3.625 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 3.75 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 = 3.75 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 3.875 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 = 3.875 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.0 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 = 4.0 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.125 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 = 4.125 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.25 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 = 4.25 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.375 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 = 4.375 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.5 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 = 4.5 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.625 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 = 4.625 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.75 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 = 4.75 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.875 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 = 4.875 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.0 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 = 5.0 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.125 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 = 5.125 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.25 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 = 5.25 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.64375, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.775, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.625, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.552832] Angstroms and c = 3.335005755209236 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.131602
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.5550909057575186, c = 4.160811713102401, total energy = -14.131602376732316

Attempting to perform relaxation using initial lattice constant guess of a = [2.552832] Angstroms and c = 3.543443614909813 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.131602
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.555090921312088, c = 4.160811743109091, total energy = -14.131602376732314

Attempting to perform relaxation using initial lattice constant guess of a = [2.552832] Angstroms and c = 3.7518814746103906 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.131602
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 2.5550908920288817, c = 4.160811681739025, total energy = -14.131602376732323

Attempting to perform relaxation using initial lattice constant guess of a = [2.552832] Angstroms and c = 3.960319334310968 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.131602
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.555090879796838, c = 4.160811698619072, total energy = -14.131602376732316

Attempting to perform relaxation using initial lattice constant guess of a = [2.552832] Angstroms and c = 4.168757194011546 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.131602
         Iterations: 64
         Function evaluations: 138
Results for this minimization:
  a = 2.555090892804065, c = 4.160811779613316, total energy = -14.13160237673232

Attempting to perform relaxation using initial lattice constant guess of a = [2.552832] Angstroms and c = 4.377195053712123 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.131602
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.5550908727864985, c = 4.1608118054089385, total energy = -14.13160237673231

Attempting to perform relaxation using initial lattice constant guess of a = [2.552832] Angstroms and c = 4.5856329134127005 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.131602
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.5550909139723226, c = 4.160811647092341, total energy = -14.13160237673232

Attempting to perform relaxation using initial lattice constant guess of a = [2.552832] Angstroms and c = 4.794070773113278 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.131602
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.5550909349586988, c = 4.160811779321343, total energy = -14.131602376732289

Attempting to perform relaxation using initial lattice constant guess of a = [2.552832] Angstroms and c = 5.002508632813855 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.131602
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.5550908824067378, c = 4.160811812508655, total energy = -14.131602376732333

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

 Final lattice Constants:
   a = 2.5550908824067378 Angstroms, c = 4.160811812508655 Angstroms, c/a = 1.628440

 Total energy: -14.131602376732333 eV

 Cohesive energy: -3.5329005941830833 eV/atom

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