Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_000
Computed model cutoff of 3.699999999701983 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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.55589847043157, total energy = -14.129948551664707

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: 82
Results for this minimization:
  a = 2.5558984749019142, total energy = -14.129948551664707

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: 83
Results for this minimization:
  a = 2.55589846894145, total energy = -14.129948551664711

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: 80
Results for this minimization:
  a = 2.5558984771370943, total energy = -14.12994855166471

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 = 2.5558984816074393, total energy = -14.129948551664706

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: 80
Results for this minimization:
  a = 2.555898482352497, total energy = -14.129948551664706

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: 79
Results for this minimization:
  a = 2.5558984752744447, total energy = -14.129948551664713

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.555898486636579, total energy = -14.129948551664704

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: 34
         Function evaluations: 69
Results for this minimization:
  a = 2.555898474156859, total energy = -14.129948551664707

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5558984614908704, total energy = -14.129948551664707

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5558984831790434, total energy = -14.129948551664711

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 = 2.555898470804095, total energy = -14.129948551664706

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 = 2.5558984708040953, total energy = -14.129948551664713

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: 70
Results for this minimization:
  a = 2.5558984785340733, total energy = -14.129948551664707

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: 74
Results for this minimization:
  a = 2.5558984781615437, total energy = -14.129948551664706

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: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.5558984705246983, total energy = -14.129948551664707

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: 75
Results for this minimization:
  a = 2.555898468196391, total energy = -14.12994855166471

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: 77
Results for this minimization:
  a = 2.5558984698727727, total energy = -14.12994855166471

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: 73
Results for this minimization:
  a = 2.5558984726667395, total energy = -14.129948551664711

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: 72
Results for this minimization:
  a = 2.5558984685107133, total energy = -14.129948551664707

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: 78
Results for this minimization:
  a = 2.555898472014814, total energy = -14.129948551664707

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: 76
Results for this minimization:
  a = 2.5558984740404385, total energy = -14.129948551664707

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5558984607923776, total energy = -14.129948551664706

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 3.3390117860159556 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.5516839623121634, c = 4.18759916942696, total energy = -14.130357693404703

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 3.547700022641953 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.551683975201385, c = 4.187599155241363, total energy = -14.130357693404704

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 3.7563882592679505 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.55168397892017, c = 4.187599123036605, total energy = -14.130357693404706

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 3.965076495893948 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.551683963322239, c = 4.1875991446649845, total energy = -14.130357693404703

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 4.173764732519945 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.5516839741591895, c = 4.187599132308654, total energy = -14.130357693404706

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 4.382452969145943 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.5516839787042027, c = 4.187599119531906, total energy = -14.130357693404704

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 4.59114120577194 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.5516839703597913, c = 4.187599138455658, total energy = -14.130357693404704

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 4.799829442397938 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 76
         Function evaluations: 155
Results for this minimization:
  a = 2.55168397246951, c = 4.187599164289136, total energy = -14.130357693404704

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 5.008517679023935 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 80
         Function evaluations: 165
Results for this minimization:
  a = 2.5516839856761093, c = 4.187599123563461, total energy = -14.130357693404706

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 5.217205915649933 = ([2.04124145] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.5516839674351637, c = 4.1875991451813235, total energy = -14.130357693404703

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

 Final lattice Constants:
   a = 2.55168397892017 Angstroms, c = 4.187599123036605 Angstroms, c/a = 1.641112

 Total energy: -14.130357693404706 eV

 Cohesive energy: -3.5325894233511765 eV/atom

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