Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005
Computed model cutoff of 6.682500007450609 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: -14.100728
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.555833673477176, total energy = -14.100728315312033

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: -14.100728
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5558336232788856, total energy = -14.100728315312017

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: -14.100728
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5558336372487247, total energy = -14.10072831531201

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: -14.100728
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.555833625048404, total energy = -14.10072831531198

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: -14.100728
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5558336179703502, total energy = -14.100728315311985

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: -14.100728
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5558336241170787, total energy = -14.100728315312013

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: -14.100728
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.555833613872529, total energy = -14.100728315312013

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: -14.100728
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5558336295653135, total energy = -14.100728315311992

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: -14.100728
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5558336734771743, total energy = -14.10072831531203

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: -14.100728
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.5558336432033695, total energy = -14.10072831531204

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: -14.100728
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5558336284128016, total energy = -14.10072831531201

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: -14.100728
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5558336535468693, total energy = -14.100728315312

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: -14.100728
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5558336372487247, total energy = -14.100728315312011

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: -14.100728
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.555833659181372, total energy = -14.100728315312004

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: -14.100728
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.555833633372094, total energy = -14.100728315311978

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: -14.100728
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.555833650997375, total energy = -14.100728315311985

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: -14.100728
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5558336306130505, total energy = -14.100728315312018

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: -14.100728
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.555833625374362, total energy = -14.100728315312022

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: -14.100728
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.555833624117076, total energy = -14.100728315312024

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: -14.100728
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5558336236979806, total energy = -14.100728315312022

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: -14.100728
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5558336138725273, total energy = -14.100728315311995

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: -14.100728
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.555833622254429, total energy = -14.100728315311967

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: -14.100728
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5558336295653135, total energy = -14.100728315311992

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: -14.100728
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5558336444199057, total energy = -14.100728315311999

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: -14.100728
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.5558336734771716, total energy = -14.100728315312011

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: -14.100728
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.555833628954134, total energy = -14.100728315312004

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: -14.100728
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.555833645083473, total energy = -14.100728315311997

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: -14.100728
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5558336586109363, total energy = -14.100728315312002

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: -14.100728
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.5558336228597858, total energy = -14.100728315312034

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: -14.100728
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5558336734771716, total energy = -14.10072831531201

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: -14.100728
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.555833653546871, total energy = -14.100728315312008

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: -14.100728
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5558336241170734, total energy = -14.100728315311999

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: -14.100728
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5558336372487247, total energy = -14.100728315312015

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: -14.100728
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5558336384827225, total energy = -14.100728315312008

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: -14.100728
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5558336502581356, total energy = -14.100728315311985

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: -14.100728
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.555833626666574, total energy = -14.100728315311978

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: -14.100728
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5558336229994856, total energy = -14.100728315311972

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: -14.100728
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.555833640108176, total energy = -14.100728315312018

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.100728
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5558336501941032, total energy = -14.100728315311974

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.100728
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5558336514135562, total energy = -14.100728315312013

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.100728
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5558336303336464, total energy = -14.100728315311995

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.100728
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.555833618436005, total energy = -14.100728315312004

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.100728
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.555833625374362, total energy = -14.10072831531202

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.100728
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.555833658343179, total energy = -14.10072831531203

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.100728
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.5558336240413997, total energy = -14.100728315312024

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.100728
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.555833633849389, total energy = -14.100728315312

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.100728
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.555833640042689, total energy = -14.100728315311994

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55583364] Angstroms and c = 3.338927089752968 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.100732
         Iterations: 74
         Function evaluations: 150
Results for this minimization:
  a = 2.556243481045288, c = 4.172321280939187, total energy = -14.100731716983558

Attempting to perform relaxation using initial lattice constant guess of a = [2.55583364] Angstroms and c = 3.547610032862529 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.100732
         Iterations: 78
         Function evaluations: 161
Results for this minimization:
  a = 2.556243425831803, c = 4.1723214169942, total energy = -14.100731716983608

Attempting to perform relaxation using initial lattice constant guess of a = [2.55583364] Angstroms and c = 3.7562929759720896 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.100732
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 2.5562433993362266, c = 4.172321416824383, total energy = -14.100731716983601

Attempting to perform relaxation using initial lattice constant guess of a = [2.55583364] Angstroms and c = 3.9649759190816503 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.100732
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.556243389412222, c = 4.172321397379738, total energy = -14.10073171698358

Attempting to perform relaxation using initial lattice constant guess of a = [2.55583364] Angstroms and c = 4.1736588621912105 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.100732
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.556243454012014, c = 4.172321433636569, total energy = -14.10073171698359

Attempting to perform relaxation using initial lattice constant guess of a = [2.55583364] Angstroms and c = 4.382341805300772 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.100732
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.556243416686349, c = 4.172321401141261, total energy = -14.100731716983605

Attempting to perform relaxation using initial lattice constant guess of a = [2.55583364] Angstroms and c = 4.591024748410332 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.100732
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.55624346294567, c = 4.172321418568332, total energy = -14.100731716983589

Attempting to perform relaxation using initial lattice constant guess of a = [2.55583364] Angstroms and c = 4.7997076915198935 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.100732
         Iterations: 81
         Function evaluations: 160
Results for this minimization:
  a = 2.5562434428620318, c = 4.172321417772528, total energy = -14.10073171698359

Attempting to perform relaxation using initial lattice constant guess of a = [2.55583364] Angstroms and c = 5.008390634629453 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.100732
         Iterations: 78
         Function evaluations: 157
Results for this minimization:
  a = 2.5562434146080886, c = 4.172321379554244, total energy = -14.100731716983617

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

 Final lattice Constants:
   a = 2.5562434146080886 Angstroms, c = 4.172321379554244 Angstroms, c/a = 1.632208

 Total energy: -14.100731716983617 eV

 Cohesive energy: -3.5251829292459043 eV/atom

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