Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_000
Computed model cutoff of 4.5000000042096095 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 = 2.5558984838426158, total energy = -14.129948552546459

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 = 2.555898495070869, total energy = -14.129948552546455

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: 81
Results for this minimization:
  a = 2.5558984838426113, total energy = -14.129948552546463

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 = 2.555898481234914, total energy = -14.129948552546455

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: 82
Results for this minimization:
  a = 2.5558984816074393, total energy = -14.129948552546454

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 = 2.555898492038252, total energy = -14.129948552546457

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 = 2.555898492224516, total energy = -14.129948552546457

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: 73
Results for this minimization:
  a = 2.5558984831441194, total energy = -14.129948552546457

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: 76
Results for this minimization:
  a = 2.5558984830975557, total energy = -14.129948552546459

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: 74
Results for this minimization:
  a = 2.555898474156858, total energy = -14.12994855254645

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5558984949137082, total energy = -14.129948552546454

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: 72
Results for this minimization:
  a = 2.5558984849601982, total energy = -14.129948552546459

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: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5558984836097807, total energy = -14.129948552546455

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 = 2.555898491735571, total energy = -14.129948552546457

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 = 2.555898489430547, total energy = -14.129948552546457

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: 71
Results for this minimization:
  a = 2.5558984853851143, total energy = -14.12994855254646

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 = 2.5558984906179814, total energy = -14.129948552546454

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: 73
Results for this minimization:
  a = 2.5558984838426113, total energy = -14.129948552546459

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: 77
Results for this minimization:
  a = 2.555898482352494, total energy = -14.129948552546457

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 = 2.5558984883129594, total energy = -14.129948552546455

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: 75
Results for this minimization:
  a = 2.5558984935283657, total energy = -14.129948552546455

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 = 2.555898480117318, total energy = -14.129948552546455

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 = 2.5558984840172343, total energy = -14.12994855254646

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: 77
Results for this minimization:
  a = 2.5558984888659295, total energy = -14.129948552546455

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: 77
Results for this minimization:
  a = 2.555898483097553, total energy = -14.129948552546457

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.555898485588842, total energy = -14.129948552546459

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: 78
Results for this minimization:
  a = 2.5558984931558344, total energy = -14.129948552546454

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5558984864183003, total energy = -14.129948552546457

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: 81
Results for this minimization:
  a = 2.5558984757401007, total energy = -14.129948552546454

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: 82
Results for this minimization:
  a = 2.5558984842733463, total energy = -14.129948552546455

==============================================================================
==============================================================================
 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 = 3.339011797209362 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.551683972198117, c = 4.187599192930467, total energy = -14.130357694169993

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 3.5477000345349468 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.5516839813494947, c = 4.187599157324046, total energy = -14.130357694169994

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 3.7563882718605317 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.551683978174384, c = 4.1875991942206285, total energy = -14.130357694169993

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 3.9650765091861166 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.5516839777574054, c = 4.187599188080283, total energy = -14.130357694169994

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 4.173764746511702 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.5516839759650196, c = 4.187599161795312, total energy = -14.130357694169993

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 4.382452983837286 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.55168397087278, c = 4.18759910190437, total energy = -14.130357694169986

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 4.5911412211628715 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.5516839676971843, c = 4.187599157360179, total energy = -14.130357694169994

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 4.799829458488457 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 2.5516839848650497, c = 4.187599149758748, total energy = -14.130357694169994

Attempting to perform relaxation using initial lattice constant guess of a = [2.55589848] Angstroms and c = 5.008517695814041 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130358
         Iterations: 73
         Function evaluations: 149
Results for this minimization:
  a = 2.551683974262517, c = 4.187599177506801, total energy = -14.130357694169993

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

 Final lattice Constants:
   a = 2.5516839813494947 Angstroms, c = 4.187599157324046 Angstroms, c/a = 1.641112

 Total energy: -14.130357694169994 eV

 Cohesive energy: -3.5325894235424986 eV/atom

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