Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_LeeShim_2004_NiCu__MO_409065472403_000
Computed model cutoff of 3.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ni

==============================================================================
==============================================================================
 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: -17.715464
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4913719058036836, total energy = -17.715463974863273

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: -17.715464
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.491371900402009, total energy = -17.71546397486327

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: -17.715464
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4913718700408936, total energy = -17.715463974863255

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: -17.715464
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.491371870040898, total energy = -17.71546397486325

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: -17.715464
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.491371890204029, total energy = -17.71546397486327

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: -17.715464
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.49137188717723, total energy = -17.715463974863265

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: -17.715464
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4913718838710337, total energy = -17.715463974863265

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: -17.715464
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4913718958268873, total energy = -17.715463974863273

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: -17.715464
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.491371905803682, total energy = -17.71546397486327

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: -17.715464
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4913718866126153, total energy = -17.71546397486327

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: -17.715464
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4913718986732425, total energy = -17.715463974863273

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: -17.715464
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.4913718879222864, total energy = -17.715463974863273

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: -17.715464
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.4913718700408936, total energy = -17.715463974863255

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: -17.715464
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4913718841969974, total energy = -17.715463974863265

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: -17.715464
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4913718700408927, total energy = -17.715463974863255

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: -17.715464
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.491371892066671, total energy = -17.71546397486327

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: -17.715464
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.4913718942552787, total energy = -17.71546397486327

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: -17.715464
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.491371897049248, total energy = -17.71546397486327

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: -17.715464
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.491371887177228, total energy = -17.71546397486327

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: -17.715464
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4913719022355494, total energy = -17.71546397486327

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: -17.715464
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4913719050586214, total energy = -17.71546397486327

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: -17.715464
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4913718856696483, total energy = -17.715463974863273

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: -17.715464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.491371897049248, total energy = -17.71546397486327

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: -17.715464
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4913719021744294, total energy = -17.71546397486327

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: -17.715464
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.491371905058621, total energy = -17.71546397486327

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49137191] Angstroms and c = 3.2547146286529607 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 72
         Function evaluations: 159
Results for this minimization:
  a = 2.4843924266893973, c = 4.091423402516407, total energy = -17.717261218121138

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137191] Angstroms and c = 3.458134292943771 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.4843924405575057, c = 4.091423384687628, total energy = -17.717261218121134

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137191] Angstroms and c = 3.661553957234581 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.484392437658916, c = 4.0914234127245255, total energy = -17.717261218121127

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137191] Angstroms and c = 3.864973621525391 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 63
         Function evaluations: 135
Results for this minimization:
  a = 2.484392434157503, c = 4.091423413564421, total energy = -17.717261218121134

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137191] Angstroms and c = 4.068393285816201 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 65
         Function evaluations: 137
Results for this minimization:
  a = 2.4843924176077525, c = 4.091423381290044, total energy = -17.71726121812113

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137191] Angstroms and c = 4.2718129501070115 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.4843924259982693, c = 4.091423385822761, total energy = -17.717261218121138

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137191] Angstroms and c = 4.475232614397822 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.4843924296221545, c = 4.091423400656581, total energy = -17.71726121812113

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137191] Angstroms and c = 4.678652278688632 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.4843924283495973, c = 4.0914233996769305, total energy = -17.717261218121134

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137191] Angstroms and c = 4.882071942979442 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 77
         Function evaluations: 158
Results for this minimization:
  a = 2.484392423692962, c = 4.091423405585262, total energy = -17.71726121812114

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

 Final lattice Constants:
   a = 2.484392423692962 Angstroms, c = 4.091423405585262 Angstroms, c/a = 1.646851

 Total energy: -17.71726121812114 eV

 Cohesive energy: -4.429315304530285 eV/atom

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