Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000
Computed model cutoff of 5.505840543955575 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: -14.128604
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5538257598876988, total energy = -14.128603957061223

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: -14.128604
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5538257375359543, total energy = -14.128603957061241

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: -14.128604
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.553825739887543, total energy = -14.12860395706122

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: -14.128604
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.5538257585023576, total energy = -14.128603957061223

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: -14.128604
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5538257375359565, total energy = -14.128603957061225

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: -14.128604
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.553825757466259, total energy = -14.128603957061229

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: -14.128604
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.553825741889888, total energy = -14.128603957061223

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: -14.128604
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5538257402949966, total energy = -14.128603957061214

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: -14.128604
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.553825759887697, total energy = -14.128603957061209

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: -14.128604
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.55382575544063, total energy = -14.128603957061221

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: -14.128604
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5538257375359543, total energy = -14.128603957061227

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: -14.128604
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.553825726220384, total energy = -14.128603957061213

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: -14.128604
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.553825741983019, total energy = -14.128603957061221

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: -14.128604
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.553825731948018, total energy = -14.128603957061218

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: -14.128604
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5538257376290856, total energy = -14.128603957061223

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: -14.128604
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5538257492298717, total energy = -14.12860395706123

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: -14.128604
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5538257420063015, total energy = -14.128603957061213

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: -14.128604
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5538257334847003, total energy = -14.128603957061214

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: -14.128604
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5538257719948882, total energy = -14.128603957061209

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: -14.128604
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5538257502659665, total energy = -14.12860395706122

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: -14.128604
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.55382574237883, total energy = -14.128603957061216

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: -14.128604
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.553825734404379, total energy = -14.128603957061218

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: -14.128604
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5538257394218817, total energy = -14.128603957061216

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: -14.128604
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5538257472217047, total energy = -14.128603957061214

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: -14.128604
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.553825756907462, total energy = -14.128603957061204

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: -14.128604
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.5538257317384714, total energy = -14.128603957061207

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: -14.128604
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.553825751878317, total energy = -14.128603957061216

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: -14.128604
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.553825760856853, total energy = -14.128603957061213

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: -14.128604
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5538257576001304, total energy = -14.128603957061213

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: -14.128604
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5538257638108903, total energy = -14.128603957061216

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: -14.128604
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5538257449108657, total energy = -14.128603957061214

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: -14.128604
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5538257669249975, total energy = -14.128603957061216

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.128604
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.5538257638108917, total energy = -14.128603957061213

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.128604
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.553825727544604, total energy = -14.128603957061209

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.128604
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5538257319480167, total energy = -14.12860395706121

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.000000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.517442193250463, total energy = -2.0922358647145137e-18

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.000000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.587524623458738, total energy = -6.973526714713953e-54

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.000000
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 5.727558001977741, total energy = -8.33540337101525e-125

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55382574] Angstroms and c = 3.336303972773336 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128713
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.556101489601987, c = 4.16237813650941, total energy = -14.12871271241805

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382574] Angstroms and c = 3.5448229710716697 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128713
         Iterations: 68
         Function evaluations: 154
Results for this minimization:
  a = 2.5561014868907006, c = 4.1623781737909376, total energy = -14.128712712418052

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382574] Angstroms and c = 3.753341969370003 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128713
         Iterations: 64
         Function evaluations: 143
Results for this minimization:
  a = 2.5561015071896387, c = 4.16237815944228, total energy = -14.128712712418054

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382574] Angstroms and c = 3.9618609676683367 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128713
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.5561015005775296, c = 4.162378150671354, total energy = -14.128712712418055

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382574] Angstroms and c = 4.170379965966671 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128713
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.556101476864278, c = 4.162378158490862, total energy = -14.12871271241805

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382574] Angstroms and c = 4.378898964265003 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128713
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.556101501024352, c = 4.162378125628344, total energy = -14.12871271241805

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382574] Angstroms and c = 4.587417962563338 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128713
         Iterations: 71
         Function evaluations: 157
Results for this minimization:
  a = 2.5561014955213905, c = 4.162378205158035, total energy = -14.128712712418048

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382574] Angstroms and c = 4.79593696086167 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128713
         Iterations: 72
         Function evaluations: 148
Results for this minimization:
  a = 2.556101501534449, c = 4.162378152612167, total energy = -14.128712712418055

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382574] Angstroms and c = 5.004455959160005 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128713
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.556101495889795, c = 4.162378159033134, total energy = -14.128712712418052

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

 Final lattice Constants:
   a = 2.5561015005775296 Angstroms, c = 4.162378150671354 Angstroms, c/a = 1.628409

 Total energy: -14.128712712418055 eV

 Cohesive energy: -3.532178178104514 eV/atom

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