Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000
Computed model cutoff of 5.000000004544876 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: 81
Results for this minimization:
  a = 2.4913718737661874, total energy = -17.715463974364404

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4913718786614476, total energy = -17.715463974364397

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: 81
Results for this minimization:
  a = 2.4913718700408936, total energy = -17.7154639743644

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4913718741387174, total energy = -17.715463974364404

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.491371873021128, total energy = -17.715463974364404

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4913718738593174, total energy = -17.7154639743644

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4913718739291655, total energy = -17.715463974364404

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4913718753959984, total energy = -17.715463974364404

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: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.4913718700408953, total energy = -17.715463974364397

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: 71
Results for this minimization:
  a = 2.4913718876021456, total energy = -17.715463974364397

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: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4913718786090615, total energy = -17.715463974364397

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: 71
Results for this minimization:
  a = 2.491371873766183, total energy = -17.7154639743644

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 = 2.491371873766184, total energy = -17.715463974364408

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: 70
Results for this minimization:
  a = 2.491371875395999, total energy = -17.7154639743644

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.491371874138712, total energy = -17.715463974364397

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 = 2.491371884034014, total energy = -17.715463974364397

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4913718741387116, total energy = -17.715463974364397

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: 77
Results for this minimization:
  a = 2.491371873766184, total energy = -17.715463974364408

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: 74
Results for this minimization:
  a = 2.4913718762807537, total energy = -17.7154639743644

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: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.491371861845254, total energy = -17.715463974364393

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.49137186333537, total energy = -17.715463974364393

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: 79
Results for this minimization:
  a = 2.4913718746975047, total energy = -17.715463974364404

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: 80
Results for this minimization:
  a = 2.4913718733005226, total energy = -17.715463974364408

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.491371873393651, total energy = -17.7154639743644

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.491371870413422, total energy = -17.7154639743644

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: -17.715464
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4913718741387143, total energy = -17.715463974364397

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: -17.715464
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.491371888294813, total energy = -17.715463974364393

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: -17.715464
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.491371873562457, total energy = -17.715463974364408

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: -17.715464
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.491371865198011, total energy = -17.7154639743644

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: -17.715464
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.491371880951918, total energy = -17.715463974364404

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: -17.715464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.491371859610082, total energy = -17.715463974364393

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: -17.715464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.491371877491471, total energy = -17.7154639743644

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: -17.715464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4913718700408936, total energy = -17.715463974364404

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: -17.715464
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.491371864173555, total energy = -17.715463974364393

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 3.2547145867993463 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.4843924042630308, c = 4.091423489740672, total energy = -17.717261219284122

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 3.4581342484743054 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 67
         Function evaluations: 140
Results for this minimization:
  a = 2.484392423319826, c = 4.091423450262484, total energy = -17.71726121928412

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 3.6615539101492645 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 66
         Function evaluations: 138
Results for this minimization:
  a = 2.4843924113765055, c = 4.091423470787183, total energy = -17.71726121928412

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 3.8649735718242235 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 64
         Function evaluations: 136
Results for this minimization:
  a = 2.484392429217016, c = 4.091423472544239, total energy = -17.71726121928412

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 4.068393233499183 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.4843924246309506, c = 4.09142347226374, total energy = -17.71726121928412

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 4.271812895174142 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.484392412428562, c = 4.091423473484902, total energy = -17.717261219284122

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 4.4752325568491 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.484392421709276, c = 4.091423477712445, total energy = -17.717261219284126

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 4.67865221852406 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.4843924076819457, c = 4.091423498826728, total energy = -17.717261219284126

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 4.882071880199019 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 78
         Function evaluations: 163
Results for this minimization:
  a = 2.48439241122501, c = 4.0914234871207595, total energy = -17.717261219284126

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

 Final lattice Constants:
   a = 2.484392421709276 Angstroms, c = 4.091423477712445 Angstroms, c/a = 1.646851

 Total energy: -17.717261219284126 eV

 Cohesive energy: -4.429315304821031 eV/atom

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