Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005
Computed model cutoff of 5.508156001120815 Angstroms
Computed isolated atomic energy of -2.009305244618509e-07 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -14.128603
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5538257673382803, total energy = -14.128603153600398

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: -14.128603
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5538257241249114, total energy = -14.128603153600375

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: -14.128603
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5538257211446784, total energy = -14.128603153600386

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: -14.128603
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5538257032632834, total energy = -14.128603153600373

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: -14.128603
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5538257397711277, total energy = -14.128603153600386

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: -14.128603
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.553825721144678, total energy = -14.128603153600386

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: -14.128603
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5538256895379163, total energy = -14.128603153600388

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: -14.128603
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.553825751156547, total energy = -14.128603153600398

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: -14.128603
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.553825714386767, total energy = -14.12860315360035

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: -14.128603
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.553825720679015, total energy = -14.128603153600395

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: -14.128603
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.5538257397711277, total energy = -14.128603153600382

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: -14.128603
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5538257509469977, total energy = -14.128603153600375

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: -14.128603
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.553825721450266, total energy = -14.128603153600377

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: -14.128603
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.553825721889734, total energy = -14.128603153600372

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: -14.128603
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.553825751529075, total energy = -14.128603153600409

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: -14.128603
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5538257211446758, total energy = -14.128603153600364

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: -14.128603
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.553825702017638, total energy = -14.12860315360033

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: -14.128603
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.553825703263282, total energy = -14.128603153600354

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: -14.128603
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5538257516222047, total energy = -14.128603153600382

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: -14.128603
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5538257509469986, total energy = -14.128603153600379

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: -14.128603
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.5538257325155387, total energy = -14.128603153600382

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: -14.128603
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5538257217966014, total energy = -14.128603153600391

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: -14.128603
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.55382575133117, total energy = -14.128603153600379

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: -14.128603
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5538257851265334, total energy = -14.128603153600302

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: -14.128603
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.553825738548767, total energy = -14.128603153600395

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: -14.128603
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.553825750946995, total energy = -14.128603153600377

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: -14.128603
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5538257581036294, total energy = -14.128603153600364

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: -14.128603
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5538257146632546, total energy = -14.128603153600338

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: -14.128603
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.553825702227183, total energy = -14.128603153600361

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: -14.128603
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5538257490843534, total energy = -14.128603153600398

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: -14.128603
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5538257066626056, total energy = -14.128603153600377

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: -14.128603
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.553825739771126, total energy = -14.128603153600368

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: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.64375, total energy = 0.0

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: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.775, total energy = 0.0

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: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.625, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55382575] Angstroms and c = 3.3363039910538728 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.556101479398339, c = 4.16237817809857, total energy = -14.128711909214633

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382575] Angstroms and c = 3.54482299049474 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.5561014918243607, c = 4.162378116951469, total energy = -14.128711909214642

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382575] Angstroms and c = 3.753341989935607 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.5561014945571614, c = 4.162378160744344, total energy = -14.128711909214639

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382575] Angstroms and c = 3.9618609893764742 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.556101430897618, c = 4.162378276201509, total energy = -14.128711909214616

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382575] Angstroms and c = 4.170379988817341 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.5561015051549907, c = 4.162378089970461, total energy = -14.128711909214633

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382575] Angstroms and c = 4.378898988258209 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.556101469452665, c = 4.162378143532717, total energy = -14.12871190921466

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382575] Angstroms and c = 4.587417987699076 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.5561014606197663, c = 4.162378252666498, total energy = -14.128711909214632

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382575] Angstroms and c = 4.795936987139942 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 2.5561014435683984, c = 4.162378207759637, total energy = -14.128711909214633

Attempting to perform relaxation using initial lattice constant guess of a = [2.55382575] Angstroms and c = 5.00445598658081 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128712
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.5561014797961614, c = 4.162378208190175, total energy = -14.128711909214635

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

 Final lattice Constants:
   a = 2.556101469452665 Angstroms, c = 4.162378143532717 Angstroms, c/a = 1.628409

 Total energy: -14.12871190921466 eV

 Cohesive energy: -3.532177977303665 eV/atom

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