Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: Sim_LAMMPS_MEAM_Wagner_2007_Cu__SM_521856783904_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: -14.108292
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.561307811737064, total energy = -14.108291555635725

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: -14.108292
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.561307813227177, total energy = -14.108291555635724

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: -14.108292
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5613078232854605, total energy = -14.108291555635727

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: -14.108292
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5613078119931796, total energy = -14.108291555635725

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: -14.108292
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5613078154623534, total energy = -14.108291555635727

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: -14.108292
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5613078162772602, total energy = -14.108291555635725

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: -14.108292
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5613078142981975, total energy = -14.108291555635727

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: -14.108292
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.561307817697525, total energy = -14.108291555635725

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: -14.108292
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5613078236579914, total energy = -14.108291555635724

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: -14.108292
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5613078132271765, total energy = -14.108291555635724

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: -14.108292
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5613078098744158, total energy = -14.108291555635724

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: -14.108292
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.561307815089822, total energy = -14.108291555635724

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: -14.108292
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.561307814437896, total energy = -14.108291555635725

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: -14.108292
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5613078244030483, total energy = -14.108291555635725

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: -14.108292
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5613078117370605, total energy = -14.108291555635724

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: -14.108292
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5613078059395766, total energy = -14.108291555635724

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: -14.108292
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.561307817697524, total energy = -14.108291555635724

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: -14.108292
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.561307824216783, total energy = -14.108291555635727

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: -14.108292
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5613078262656925, total energy = -14.108291555635724

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: -14.108292
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5613078125985327, total energy = -14.108291555635724

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: -14.108292
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5613078191876406, total energy = -14.108291555635724

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: -14.108292
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5613078212540104, total energy = -14.108291555635725

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: -14.108292
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5613078204914927, total energy = -14.108291555635725

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: -14.108292
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.561307815508913, total energy = -14.108291555635725

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: -14.108292
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5613078236579883, total energy = -14.108291555635724

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.56130782] Angstroms and c = 3.346078528665624 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.109556
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.5537292181886064, c = 4.207494042491977, total energy = -14.10955611531499

Attempting to perform relaxation using initial lattice constant guess of a = [2.56130782] Angstroms and c = 3.5552084367072254 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.109556
         Iterations: 78
         Function evaluations: 159
Results for this minimization:
  a = 2.553729222249006, c = 4.207494026370564, total energy = -14.109556115314989

Attempting to perform relaxation using initial lattice constant guess of a = [2.56130782] Angstroms and c = 3.764338344748827 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.109556
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.553729218134672, c = 4.207494057716767, total energy = -14.109556115314987

Attempting to perform relaxation using initial lattice constant guess of a = [2.56130782] Angstroms and c = 3.973468252790428 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.109556
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 2.5537292176369935, c = 4.20749401031792, total energy = -14.109556115314987

Attempting to perform relaxation using initial lattice constant guess of a = [2.56130782] Angstroms and c = 4.182598160832029 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.109556
         Iterations: 65
         Function evaluations: 139
Results for this minimization:
  a = 2.5537292100044087, c = 4.207494017619729, total energy = -14.109556115314986

Attempting to perform relaxation using initial lattice constant guess of a = [2.56130782] Angstroms and c = 4.391728068873631 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.109556
         Iterations: 65
         Function evaluations: 141
Results for this minimization:
  a = 2.553729226568371, c = 4.20749403766732, total energy = -14.109556115314987

Attempting to perform relaxation using initial lattice constant guess of a = [2.56130782] Angstroms and c = 4.600857976915233 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.109556
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.5537292312204665, c = 4.207494021764094, total energy = -14.109556115314986

Attempting to perform relaxation using initial lattice constant guess of a = [2.56130782] Angstroms and c = 4.809987884956834 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.109556
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.553729218135299, c = 4.207494015786384, total energy = -14.109556115314987

Attempting to perform relaxation using initial lattice constant guess of a = [2.56130782] Angstroms and c = 5.0191177929984345 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.109556
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.5537292265738394, c = 4.207494003184193, total energy = -14.109556115314986

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

 Final lattice Constants:
   a = 2.5537292181886064 Angstroms, c = 4.207494042491977 Angstroms, c/a = 1.647588

 Total energy: -14.10955611531499 eV

 Cohesive energy: -3.5273890288287477 eV/atom

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