Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000
Computed model cutoff of 4.428375004716252 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))

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))

Optimization terminated successfully.
         Current function value: -14.035786
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5619117184542115, total energy = -14.035785508156643

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: -14.035786
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5619117449969053, total energy = -14.035785508156646

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: -14.035786
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5619117601309025, total energy = -14.035785508156616

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: -14.035786
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5619117081165337, total energy = -14.035785508156636

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: -14.035786
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.561911698570477, total energy = -14.035785508156614

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: -14.035786
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.5619117449969053, total energy = -14.035785508156644

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: -14.035786
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.561911760363728, total energy = -14.035785508156609

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: -14.035786
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5619117267429843, total energy = -14.03578550815663

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: -14.035786
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5619117148220534, total energy = -14.03578550815663

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: -14.035786
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5619117184542115, total energy = -14.035785508156644

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: -14.035786
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.561911709583364, total energy = -14.03578550815663

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: -14.035786
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.561911754310131, total energy = -14.035785508156616

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: -14.035786
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.561911718471674, total energy = -14.035785508156625

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: -14.035786
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5619117237627504, total energy = -14.035785508156627

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: -14.035786
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5619117551948865, total energy = -14.03578550815661

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: -14.035786
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.561911728233098, total energy = -14.03578550815663

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: -14.035786
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5619117449969053, total energy = -14.035785508156632

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: -14.035786
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5619117282330985, total energy = -14.035785508156636

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: -14.035786
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5619117125868787, total energy = -14.035785508156616

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: -14.035786
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.561911724135279, total energy = -14.035785508156632

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: -14.035786
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.5619117282330963, total energy = -14.03578550815663

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: -14.035786
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5619117338210344, total energy = -14.035785508156629

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: -14.035786
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.561911719955967, total energy = -14.035785508156627

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: -14.035786
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5619117375463234, total energy = -14.035785508156625

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: -14.035786
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.561911728756968, total energy = -14.035785508156632

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: -14.035786
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.56191171482205, total energy = -14.035785508156621

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: -14.035786
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5619117197347805, total energy = -14.035785508156627

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: -14.035786
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5619117273075926, total energy = -14.035785508156623

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.56191174] Angstroms and c = 3.3468674886856924 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.042172
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.545552783777069, c = 4.247574041618746, total energy = -14.04217158669312

Attempting to perform relaxation using initial lattice constant guess of a = [2.56191174] Angstroms and c = 3.556046706728548 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.042172
         Iterations: 81
         Function evaluations: 163
Results for this minimization:
  a = 2.5455527732085175, c = 4.2475740275947285, total energy = -14.04217158669312

Attempting to perform relaxation using initial lattice constant guess of a = [2.56191174] Angstroms and c = 3.7652259247714035 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.042172
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.5455527720123605, c = 4.247574099713713, total energy = -14.042171586693135

Attempting to perform relaxation using initial lattice constant guess of a = [2.56191174] Angstroms and c = 3.974405142814259 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.042172
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.545552772222014, c = 4.247574151319812, total energy = -14.042171586693117

Attempting to perform relaxation using initial lattice constant guess of a = [2.56191174] Angstroms and c = 4.183584360857115 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.042172
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.5455527424886433, c = 4.247574044903621, total energy = -14.042171586693119

Attempting to perform relaxation using initial lattice constant guess of a = [2.56191174] Angstroms and c = 4.39276357889997 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.042172
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.5455527743122337, c = 4.2475741091909605, total energy = -14.04217158669312

Attempting to perform relaxation using initial lattice constant guess of a = [2.56191174] Angstroms and c = 4.601942796942826 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.042172
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.545552797543211, c = 4.247574026321107, total energy = -14.042171586693135

Attempting to perform relaxation using initial lattice constant guess of a = [2.56191174] Angstroms and c = 4.811122014985681 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.042172
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.5455527647423177, c = 4.247574045510725, total energy = -14.042171586693122

Attempting to perform relaxation using initial lattice constant guess of a = [2.56191174] Angstroms and c = 5.020301233028537 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.042172
         Iterations: 76
         Function evaluations: 164
Results for this minimization:
  a = 2.545552786789985, c = 4.247573976368469, total energy = -14.042171586693126

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

 Final lattice Constants:
   a = 2.5455527720123605 Angstroms, c = 4.247574099713713 Angstroms, c/a = 1.668625

 Total energy: -14.042171586693135 eV

 Cohesive energy: -3.5105428966732837 eV/atom

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