Element = Lattice = Model = Element: Au
Lattice: hcp
Model: EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_001
Computed model cutoff of 5.748849998116498 Angstroms
Computed isolated atomic energy of 0.0 eV for species Au

==============================================================================
==============================================================================
 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: -12.138721
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.936430013179783, total energy = -12.138720657669516

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: -12.138721
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9364299823646425, total energy = -12.138720657669575

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: -12.138721
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9364300090819597, total energy = -12.138720657669518

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: -12.138721
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9364299727603855, total energy = -12.13872065766954

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: -12.138721
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9364300057292017, total energy = -12.138720657669538

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: -12.138721
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9364300091576316, total energy = -12.138720657669566

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: -12.138721
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.936430003587157, total energy = -12.138720657669548

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: -12.138721
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.936430024972651, total energy = -12.138720657669495

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: -12.138721
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9364300128072522, total energy = -12.138720657669518

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: -12.138721
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.936430004984141, total energy = -12.13872065766953

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: -12.138721
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9364299823646443, total energy = -12.138720657669577

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: -12.138721
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.936430006287991, total energy = -12.13872065766952

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: -12.138721
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9364300090819597, total energy = -12.138720657669518

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: -12.138721
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9364300099026885, total energy = -12.138720657669522

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: -12.138721
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.936429972696351, total energy = -12.138720657669547

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: -12.138721
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.936430003028364, total energy = -12.138720657669555

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: -12.138721
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.936430005729198, total energy = -12.138720657669554

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: -12.138721
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.936430003028363, total energy = -12.138720657669554

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: -12.138721
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.93643000915763, total energy = -12.138720657669564

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: -12.138721
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.936429977021181, total energy = -12.138720657669529

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: -12.138721
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.936430003587156, total energy = -12.138720657669548

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: -12.138721
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.936430007847956, total energy = -12.138720657669543

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: -12.138721
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.936430024972651, total energy = -12.138720657669495

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: -12.138721
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.936429976118958, total energy = -12.138720657669536

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: -12.138721
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9364300128072487, total energy = -12.138720657669518

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: -12.138721
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.936429985822179, total energy = -12.138720657669541

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: -12.138721
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9364300049841376, total energy = -12.138720657669527

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: -12.138721
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.936430000816472, total energy = -12.1387206576695

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: -12.138721
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.936429982364639, total energy = -12.138720657669571

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: -12.138721
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.936430029012261, total energy = -12.138720657669502

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: -12.138721
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9364300098270193, total energy = -12.138720657669507

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: -12.138721
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.936429958231744, total energy = -12.138720657669515

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: -12.138721
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9364300090819597, total energy = -12.138720657669518

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: -12.138721
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9364300036511803, total energy = -12.138720657669554

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: -12.138721
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.936430009902686, total energy = -12.138720657669518

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: -12.138721
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9364299747161575, total energy = -12.13872065766953

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: -12.138721
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9364299932494724, total energy = -12.138720657669577

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: -12.138721
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.936430006986484, total energy = -12.138720657669538

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 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 = 6.0375000000000005, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.93642998] Angstroms and c = 3.8361360651750323 = ([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 = 5.75 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 = [2.93642998] Angstroms and c = 4.075894569248471 = ([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 = 5.75 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 = [2.93642998] Angstroms and c = 4.3156530733219105 = ([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 = 5.75 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 = [2.93642998] Angstroms and c = 4.55541157739535 = ([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 = 5.75 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 = [2.93642998] Angstroms and c = 4.795170081468789 = ([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 = 5.75 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 = [2.93642998] Angstroms and c = 5.034928585542228 = ([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 = 5.75 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 = [2.93642998] Angstroms and c = 5.274687089615667 = ([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 = 5.75 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 = [2.93642998] Angstroms and c = 5.514445593689106 = ([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 = 5.75 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 = [2.93642998] Angstroms and c = 5.754204097762545 = ([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 = 5.75 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 = [2.93642998] Angstroms, c = [4.79517008] Angstroms, c/a = 1.632993

 Total energy: -12.138720657669577 eV

 Cohesive energy: -3.034680164417394 eV/atom

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