Element = Lattice = Model = Element: Co
Lattice: hcp
Model: MEAM_LAMMPS_ChoiKimSeol_2017_CoCr__MO_410167849923_000
Computed model cutoff of 3.999999990463257 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 = 2.5001621842384374, total energy = -17.636723131860986

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5001621715724474, total energy = -17.636723131861

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.500162169802934, total energy = -17.636723131861007

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: 80
Results for this minimization:
  a = 2.5001621596515227, total energy = -17.636723131861

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5001621638890383, total energy = -17.636723131861004

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: 76
Results for this minimization:
  a = 2.5001621695584633, total energy = -17.636723131861004

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.500162170082331, total energy = -17.636723131860997

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: 77
Results for this minimization:
  a = 2.500162163749337, total energy = -17.636723131860997

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5001621637493385, total energy = -17.636723131861004

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: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.500162179069594, total energy = -17.636723131861

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5001621715724482, total energy = -17.636723131861

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.500162176898448, total energy = -17.636723131861

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: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5001621693372726, total energy = -17.636723131861

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: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5001621629111477, total energy = -17.636723131861

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 = 2.5001621637493363, total energy = -17.636723131861

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: 75
Results for this minimization:
  a = 2.5001621712930486, total energy = -17.636723131860997

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5001621704548587, total energy = -17.636723131861

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 = 2.5001621621777304, total energy = -17.636723131860997

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5001621624454855, total energy = -17.636723131861

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: 76
Results for this minimization:
  a = 2.500162178277969, total energy = -17.636723131860997

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: 79
Results for this minimization:
  a = 2.5001621544361106, total energy = -17.636723131860993

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5001621648843844, total energy = -17.636723131861

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: 77
Results for this minimization:
  a = 2.500162163749337, total energy = -17.636723131861

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: 75
Results for this minimization:
  a = 2.50016216896474, total energy = -17.636723131861

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 = -17.636723131861004

==============================================================================
==============================================================================
 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 = 3.2661981814543046 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.5023088950309456, c = 4.075717427109626, total energy = -17.636855977024297

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 3.470335567795199 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 2.502308903431004, c = 4.075717426190192, total energy = -17.63685597702429

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 3.674472954136093 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.502308886643712, c = 4.075717443880645, total energy = -17.636855977024297

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 3.878610340476987 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.5023088896893007, c = 4.075717432471057, total energy = -17.63685597702429

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 4.082747726817882 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.5023088885794005, c = 4.07571742776625, total energy = -17.636855977024297

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 4.2868851131587755 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 66
         Function evaluations: 147
Results for this minimization:
  a = 2.502308891336231, c = 4.075717452761421, total energy = -17.636855977024293

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 4.491022499499669 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.502308909985266, c = 4.0757173970335, total energy = -17.636855977024293

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 4.695159885840564 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 79
         Function evaluations: 163
Results for this minimization:
  a = 2.502308892494457, c = 4.075717427718381, total energy = -17.636855977024297

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 4.8992972721814585 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.5023089039442743, c = 4.075717404457416, total energy = -17.636855977024297

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

 Final lattice Constants:
   a = 2.5023088950309456 Angstroms, c = 4.075717427109626 Angstroms, c/a = 1.628783

 Total energy: -17.636855977024297 eV

 Cohesive energy: -4.409213994256074 eV/atom

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