Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Ni__SM_078420412697_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: -17.755114
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.4907296717166933, total energy = -17.755113608351227

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: -17.755114
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.490729665569961, total energy = -17.755113608351227

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: -17.755114
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4907296602614224, total energy = -17.75511360835123

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: -17.755114
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.490729661844675, total energy = -17.75511360835123

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: -17.755114
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4907296622172024, total energy = -17.75511360835123

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: -17.755114
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.490729656256736, total energy = -17.755113608351223

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: -17.755114
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4907296740449967, total energy = -17.75511360835123

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: -17.755114
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.490729676326737, total energy = -17.755113608351227

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: -17.755114
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.490729668736459, total energy = -17.75511360835123

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: -17.755114
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.49072967208922, total energy = -17.755113608351227

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: -17.755114
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4907296705991033, total energy = -17.755113608351227

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: -17.755114
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.490729673299938, total energy = -17.755113608351234

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: -17.755114
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.4907296600285918, total energy = -17.755113608351227

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: -17.755114
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4907296763267377, total energy = -17.755113608351227

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: -17.755114
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4907296685036266, total energy = -17.75511360835123

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: -17.755114
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4907296746969214, total energy = -17.755113608351223

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: -17.755114
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4907296717166894, total energy = -17.755113608351227

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: -17.755114
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4907296687888447, total energy = -17.75511360835123

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: -17.755114
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4907296683639277, total energy = -17.755113608351227

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: -17.755114
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4907296705991024, total energy = -17.755113608351227

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: -17.755114
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.490729674044996, total energy = -17.75511360835123

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: -17.755114
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4907296619378005, total energy = -17.755113608351234

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: -17.755114
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.490729674056638, total energy = -17.75511360835123

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: -17.755114
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.49072966254316, total energy = -17.75511360835123

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: -17.755114
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4907296657562243, total energy = -17.755113608351227

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 3.2538756196234107 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.486918136171404, c = 4.079842139566588, total energy = -17.755631612642315

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 3.4572428458498736 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.4869181224573005, c = 4.079842150118489, total energy = -17.755631612642315

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 3.6606100720763366 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.486918129306689, c = 4.079842141583315, total energy = -17.75563161264231

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 3.8639772983027996 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.486918124432801, c = 4.079842177019813, total energy = -17.75563161264232

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 4.067344524529263 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 63
         Function evaluations: 141
Results for this minimization:
  a = 2.486918139963577, c = 4.079842192000661, total energy = -17.755631612642315

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 4.2707117507557255 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.486918131822134, c = 4.079842163594087, total energy = -17.755631612642322

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 4.474078976982188 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.4869181296071776, c = 4.079842145148318, total energy = -17.75563161264232

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 4.6774462032086515 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.486918137711302, c = 4.079842187480789, total energy = -17.75563161264231

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 4.880813429435115 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.4869181240617655, c = 4.079842182101829, total energy = -17.755631612642315

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

 Final lattice Constants:
   a = 2.486918131822134 Angstroms, c = 4.079842163594087 Angstroms, c/a = 1.640521

 Total energy: -17.755631612642322 eV

 Cohesive energy: -4.4389079031605805 eV/atom

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