Element = Lattice = Model = Element: Co
Lattice: hcp
Model: MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_002
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Co

==============================================================================
==============================================================================
 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: -17.636723
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.500162166729573, total energy = -17.636723131476742

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: -17.636723
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5001621615141634, total energy = -17.636723131476742

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: -17.636723
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.5001621725969017, total energy = -17.636723131476742

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: -17.636723
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5001621647737964, total energy = -17.636723131476742

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: -17.636723
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5001621693372753, total energy = -17.636723131476753

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: -17.636723
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5001621745526803, total energy = -17.636723131476742

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: -17.636723
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5001621749717744, total energy = -17.636723131476735

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: -17.636723
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5001621717819944, total energy = -17.636723131476742

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: -17.636723
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5001621499657642, total energy = -17.63672313147674

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: -17.636723
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.500162171944976, total energy = -17.636723131476742

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: -17.636723
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5001621614617773, total energy = -17.636723131476742

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: -17.636723
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5001621626317503, total energy = -17.636723131476742

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: -17.636723
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.500162167707458, total energy = -17.636723131476746

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: -17.636723
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5001621570438153, total energy = -17.636723131476735

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: -17.636723
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5001621760427937, total energy = -17.636723131476746

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: -17.636723
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5001621562987557, total energy = -17.63672313147673

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: -17.636723
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5001621712930495, total energy = -17.63672313147674

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: -17.636723
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5001621758565307, total energy = -17.636723131476735

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: -17.636723
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5001621745526785, total energy = -17.63672313147674

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: -17.636723
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5001621581614013, total energy = -17.636723131476735

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: -17.636723
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5001621687784783, total energy = -17.636723131476742

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: -17.636723
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.500162175856528, total energy = -17.636723131476742

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: -17.636723
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5001621689880267, total energy = -17.63672313147674

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: -17.636723
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.500162161025215, total energy = -17.63672313147674

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: -17.636723
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5001621663570393, total energy = -17.63672313147674

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: -17.636723
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5001621635572535, total energy = -17.636723131476742

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: -17.636723
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5001621652161674, total energy = -17.636723131476742

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: -17.636723
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5001621640112717, total energy = -17.636723131476742

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: -17.636723
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5001621615141585, total energy = -17.636723131476746

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: -17.636723
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5001621691510065, total energy = -17.636723131476753

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 3.266198180845971 = ([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 = 4.625 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 = [2.50016217] Angstroms and c = 3.470335567148844 = ([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 = 4.625 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 = [2.50016217] Angstroms and c = 3.674472953451717 = ([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 = 4.625 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 = [2.50016217] Angstroms and c = 3.87861033975459 = ([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 = 4.625 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 = [2.50016217] Angstroms and c = 4.0827477260574625 = ([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 = 4.625 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 = [2.50016217] Angstroms and c = 4.286885112360336 = ([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 = 4.625 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 = [2.50016217] Angstroms and c = 4.4910224986632095 = ([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 = 4.625 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 = [2.50016217] Angstroms and c = 4.695159884966082 = ([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 = 4.625 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 = [2.50016217] Angstroms and c = 4.899297271268955 = ([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 = 4.625 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 = [2.50016217] Angstroms, c = [4.08274773] Angstroms, c/a = 1.632993

 Total energy: -17.636723131476753 eV

 Cohesive energy: -4.409180782869188 eV/atom

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