Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_694335101831_001
Computed model cutoff of 4.79999999620023 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: 80
Results for this minimization:
  a = 2.555898487567906, total energy = -14.129948551741137

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: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.555898468196392, total energy = -14.129948551741133

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: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.555898502469063, total energy = -14.129948551741132

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: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5558984935283715, total energy = -14.129948551741137

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5558984863571848, total energy = -14.129948551741139

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.555898484471255, total energy = -14.12994855174114

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: 77
Results for this minimization:
  a = 2.555898490920664, total energy = -14.129948551741135

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 = 2.5558984894305468, total energy = -14.129948551741137

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 = 2.555898488126698, total energy = -14.129948551741137

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: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.555898475740106, total energy = -14.129948551741137

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: 74
Results for this minimization:
  a = 2.5558984849601982, total energy = -14.12994855174114

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: 70
Results for this minimization:
  a = 2.5558984849601982, total energy = -14.129948551741137

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: 68
Results for this minimization:
  a = 2.5558984838426113, total energy = -14.129948551741139

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 = 2.555898476578296, total energy = -14.12994855174114

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.555898477137089, total energy = -14.129948551741135

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: 73
Results for this minimization:
  a = 2.5558984876610333, total energy = -14.129948551741142

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.555898489989339, total energy = -14.129948551741137

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.555898487335071, total energy = -14.129948551741137

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5558984859846525, total energy = -14.129948551741137

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: 73
Results for this minimization:
  a = 2.555898483126657, total energy = -14.12994855174114

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5558984823641366, total energy = -14.129948551741139

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5558984774164824, total energy = -14.12994855174114

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: 77
Results for this minimization:
  a = 2.5558984838426113, total energy = -14.129948551741142

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.555898488685486, total energy = -14.129948551741139

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: 79
Results for this minimization:
  a = 2.555898481607437, total energy = -14.129948551741139

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: -14.129949
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5558984825154774, total energy = -14.129948551741135

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: -14.129949
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5558984749484783, total energy = -14.129948551741137

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: -14.129949
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5558984734816477, total energy = -14.12994855174114

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: -14.129949
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.555898485798384, total energy = -14.129948551741144

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: -14.129949
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.555898477381559, total energy = -14.12994855174114

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: -14.129949
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.555898478324526, total energy = -14.129948551741139

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: -14.129949
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.55589848537929, total energy = -14.129948551741139

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 3.3390117997643727 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.551683993425485, c = 4.187599095053207, total energy = -14.130357693984642

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 3.547700037249646 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.5516840104747525, c = 4.187599072443672, total energy = -14.13035769398464

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 3.756388274734919 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.55168399606045, c = 4.187599078801236, total energy = -14.130357693984646

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 3.9650765122201923 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.5516839980638757, c = 4.187599087552885, total energy = -14.130357693984642

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 4.173764749705466 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.55168398899965, c = 4.187599077535529, total energy = -14.130357693984644

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 4.382452987190739 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 72
         Function evaluations: 147
Results for this minimization:
  a = 2.5516839933982474, c = 4.187599081927972, total energy = -14.130357693984644

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 4.5911412246760115 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.5516839942262974, c = 4.187599065809111, total energy = -14.130357693984644

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 4.799829462161285 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.551684001811889, c = 4.187599070079269, total energy = -14.130357693984642

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589849] Angstroms and c = 5.008517699646559 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.551683989318988, c = 4.187599053116842, total energy = -14.130357693984644

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

 Final lattice Constants:
   a = 2.55168399606045 Angstroms, c = 4.187599078801236 Angstroms, c/a = 1.641112

 Total energy: -14.130357693984646 eV

 Cohesive energy: -3.5325894234961615 eV/atom

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