Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_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: 83
Results for this minimization:
  a = 2.491371869295839, total energy = -17.715463974364354

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 = 2.491371881961822, total energy = -17.715463974364344

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 = -17.71546397436436

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 = 2.4913718659430786, total energy = -17.715463974364354

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: 79
Results for this minimization:
  a = 2.491371873021128, total energy = -17.715463974364354

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: 80
Results for this minimization:
  a = 2.4913718750700364, total energy = -17.715463974364354

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4913718763738872, total energy = -17.715463974364354

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: 75
Results for this minimization:
  a = 2.491371867712587, total energy = -17.71546397436435

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: 72
Results for this minimization:
  a = 2.4913718700408953, total energy = -17.715463974364358

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4913718708790844, total energy = -17.715463974364347

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: 71
Results for this minimization:
  a = 2.4913718786090615, total energy = -17.715463974364347

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 = 2.491371880844235, total energy = -17.71546397436436

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: 69
Results for this minimization:
  a = 2.491371862590313, total energy = -17.715463974364358

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 = 2.4913718841969974, total energy = -17.71546397436435

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: 73
Results for this minimization:
  a = 2.4913718700408927, total energy = -17.715463974364354

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4913718711817623, total energy = -17.71546397436435

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 = 2.491371880844234, total energy = -17.715463974364358

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 = 2.491371855721809, total energy = -17.715463974364344

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4913718762807537, total energy = -17.715463974364358

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: 77
Results for this minimization:
  a = 2.491371861845254, total energy = -17.71546397436435

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 = 2.491371875070035, total energy = -17.715463974364358

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 = 2.4913718746975047, total energy = -17.71546397436435

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: 78
Results for this minimization:
  a = 2.491371867712587, total energy = -17.715463974364347

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: 77
Results for this minimization:
  a = 2.491371873393651, total energy = -17.715463974364354

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: 78
Results for this minimization:
  a = 2.4913718700408927, total energy = -17.715463974364354

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: 79
Results for this minimization:
  a = 2.4913718618452565, total energy = -17.71546397436435

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.491371870879081, total energy = -17.71546397436435

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: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4913718869065633, total energy = -17.715463974364347

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 = 2.4913718618452494, total energy = -17.71546397436435

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.491371880844234, total energy = -17.715463974364358

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 = 2.4913718808442367, total energy = -17.715463974364358

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: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.49137188850145, total energy = -17.715463974364354

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: 82
Results for this minimization:
  a = 2.4913718700408936, total energy = -17.715463974364365

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: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.4913718870244286, total energy = -17.71546397436435

==============================================================================
==============================================================================
 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 = 3.2547145819326477 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.484392413184244, c = 4.091423469250884, total energy = -17.71726121928278

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 3.458134243303438 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.4843924232429746, c = 4.091423477017537, total energy = -17.717261219282783

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 3.6615539046742285 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.484392414150008, c = 4.091423515187662, total energy = -17.717261219282776

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 3.864973566045019 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 2.484392418282245, c = 4.091423452211646, total energy = -17.717261219282772

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 4.068393227415809 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.4843924151830747, c = 4.091423502629444, total energy = -17.717261219282776

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 4.2718128887866 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.4843924320641735, c = 4.0914234719655465, total energy = -17.717261219282772

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 4.47523255015739 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.484392405102951, c = 4.091423523013237, total energy = -17.717261219282772

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 4.67865221152818 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.484392420506963, c = 4.091423499146263, total energy = -17.717261219282776

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137187] Angstroms and c = 4.882071872898971 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.4843924195430915, c = 4.091423510480812, total energy = -17.717261219282776

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

 Final lattice Constants:
   a = 2.4843924232429746 Angstroms, c = 4.091423477017537 Angstroms, c/a = 1.646851

 Total energy: -17.717261219282783 eV

 Cohesive energy: -4.429315304820696 eV/atom

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