Element = Lattice = Model = Element: Au
Lattice: hcp
Model: EAM_Dynamo_VoterChen_1993_Au__MO_355170963718_001
Computed model cutoff of 5.5155000017583475 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: -15.710951
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.8865532368421585, total energy = -15.710950989388849

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: -15.710951
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.886553188320249, total energy = -15.710950989388788

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: -15.710951
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8865532313939184, total energy = -15.710950989388884

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: -15.710951
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.886553206911784, total energy = -15.710950989388765

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: -15.710951
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.886553198099139, total energy = -15.710950989388804

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: -15.710951
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8865532057825494, total energy = -15.710950989388852

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: -15.710951
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8865532329306003, total energy = -15.710950989388868

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: -15.710951
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.886553203687072, total energy = -15.710950989388811

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: -15.710951
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8865532249212293, total energy = -15.710950989388845

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: -15.710951
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8865532369352884, total energy = -15.71095098938886

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: -15.710951
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8865532218478624, total energy = -15.710950989388822

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: -15.710951
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.886553231475408, total energy = -15.710950989388934

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: -15.710951
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8865532313939184, total energy = -15.710950989388905

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: -15.710951
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.886553231626749, total energy = -15.710950989388882

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: -15.710951
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.8865532603114854, total energy = -15.7109509893888

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: -15.710951
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 2.886553283035756, total energy = -15.710950989388719

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: -15.710951
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8865532249212267, total energy = -15.71095098938885

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: -15.710951
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.886553240532521, total energy = -15.710950989388856

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: -15.710951
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8865531827788797, total energy = -15.710950989388792

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: -15.710951
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.886553212627767, total energy = -15.710950989388826

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: -15.710951
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8865532329306003, total energy = -15.710950989388873

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: -15.710951
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.886553231626748, total energy = -15.710950989388863

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: -15.710951
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8865532035997603, total energy = -15.710950989388806

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: -15.710951
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8865532400872302, total energy = -15.71095098938886

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: -15.710951
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8865532178431743, total energy = -15.710950989388843

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: -15.710951
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.886553230858409, total energy = -15.710950989388879

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: -15.710951
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8865532260504527, total energy = -15.710950989388847

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: -15.710951
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.886553205549717, total energy = -15.710950989388866

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: -15.710951
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.886553221847858, total energy = -15.71095098938886

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: -15.710951
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8865532469237207, total energy = -15.71095098938885

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: -15.710951
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.886553251161242, total energy = -15.710950989388795

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: -15.710951
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.886553258562341, total energy = -15.71095098938881

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: -15.710951
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8865532313939184, total energy = -15.71095098938886

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: -15.710951
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8865532330499226, total energy = -15.71095098938888

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: -15.710951
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.886553232604636, total energy = -15.710950989388863

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: -15.710951
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8865532610710964, total energy = -15.71095098938878

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: -15.710951
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.886553206911773, total energy = -15.71095098938881

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: -15.710951
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.886553233372979, total energy = -15.710950989388886

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.88655323] Angstroms and c = 3.7709773506648796 = ([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 = 5.625 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 = [2.88655323] Angstroms and c = 4.0066634350814345 = ([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 = 5.625 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 = [2.88655323] Angstroms and c = 4.242349519497989 = ([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 = 5.625 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 = [2.88655323] Angstroms and c = 4.478035603914544 = ([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 = 5.625 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 = [2.88655323] Angstroms and c = 4.713721688331099 = ([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 = 5.625 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 = [2.88655323] Angstroms and c = 4.949407772747654 = ([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 = 5.625 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 = [2.88655323] Angstroms and c = 5.185093857164209 = ([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 = 5.625 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 = [2.88655323] Angstroms and c = 5.420779941580764 = ([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 = 5.625 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 = [2.88655323] Angstroms and c = 5.656466025997319 = ([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 = 5.625 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 = [2.88655323] Angstroms, c = [4.71372169] Angstroms, c/a = 1.632993

 Total energy: -15.710950989388934 eV

 Cohesive energy: -3.9277377473472335 eV/atom

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