Element = Lattice = Model = Element: Cu
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 Cu

==============================================================================
==============================================================================
 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: -14.129949
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.555898463912312, total energy = -14.129948551787693

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: -14.129949
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5558984748495273, total energy = -14.129948551787692

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: -14.129949
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.555898455902934, total energy = -14.129948551787688

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: -14.129949
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5558984679170007, total energy = -14.129948551787693

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: -14.129949
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.555898463726046, total energy = -14.129948551787692

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: -14.129949
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5558984772069397, total energy = -14.129948551787692

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: -14.129949
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.555898473970593, total energy = -14.129948551787693

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: -14.129949
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5558984740637243, total energy = -14.129948551787693

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: -14.129949
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.555898468196394, total energy = -14.129948551787693

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: -14.129949
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5558984551578767, total energy = -14.12994855178769

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: -14.129949
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5558984732255334, total energy = -14.129948551787695

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: -14.129949
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5558984706935, total energy = -14.129948551787695

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: -14.129949
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.555898472201079, total energy = -14.129948551787693

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: -14.129949
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.55589847364463, total energy = -14.129948551787697

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: -14.129949
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5558984773932028, total energy = -14.129948551787692

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: -14.129949
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.555898470658576, total energy = -14.129948551787699

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: -14.129949
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.555898468196391, total energy = -14.129948551787692

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: -14.129949
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5558984698727727, total energy = -14.129948551787693

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: -14.129949
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.555898470245301, total energy = -14.129948551787699

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: -14.129949
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.555898473225534, total energy = -14.129948551787692

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: -14.129949
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5558984623989085, total energy = -14.129948551787693

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: -14.129949
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.555898469313976, total energy = -14.129948551787693

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: -14.129949
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5558984726667404, total energy = -14.129948551787693

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: -14.129949
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.555898465769129, total energy = -14.129948551787693

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: -14.129949
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.555898469686508, total energy = -14.129948551787697

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55589847] Angstroms and c = 3.3390117799858103 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.551683970207407, c = 4.1875990962117005, total energy = -14.130357693515133

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589847] Angstroms and c = 3.5477000162349235 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.5516839605821247, c = 4.187599142938904, total energy = -14.130357693515135

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589847] Angstroms and c = 3.7563882524840366 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.5516839671992226, c = 4.187599123095106, total energy = -14.130357693515135

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589847] Angstroms and c = 3.9650764887331498 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.5516839753791523, c = 4.1875991033869795, total energy = -14.130357693515135

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589847] Angstroms and c = 4.173764724982263 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.5516839746643356, c = 4.187599117242407, total energy = -14.130357693515137

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589847] Angstroms and c = 4.382452961231376 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.5516839626175396, c = 4.1875991391466965, total energy = -14.130357693515132

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589847] Angstroms and c = 4.591141197480489 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 63
         Function evaluations: 139
Results for this minimization:
  a = 2.551683970592382, c = 4.187599139089567, total energy = -14.130357693515135

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589847] Angstroms and c = 4.799829433729602 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.5516839742081925, c = 4.187599092707967, total energy = -14.130357693515135

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589847] Angstroms and c = 5.0085176699787155 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 74
         Function evaluations: 150
Results for this minimization:
  a = 2.5516839629836627, c = 4.18759912224782, total energy = -14.130357693515132

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

 Final lattice Constants:
   a = 2.5516839746643356 Angstroms, c = 4.187599117242407 Angstroms, c/a = 1.641112

 Total energy: -14.130357693515137 eV

 Cohesive energy: -3.5325894233787842 eV/atom

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