Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Mendelev_2019_CuZr__MO_945018740343_000
Computed model cutoff of 5.999999971389771 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: -13.078345
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5736559852957757, total energy = -13.078345104684779

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: -13.078345
         Iterations: 38
         Function evaluations: 86
Results for this minimization:
  a = 2.573655831813812, total energy = -13.078345104685663

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: -13.078345
         Iterations: 39
         Function evaluations: 88
Results for this minimization:
  a = 2.573655575979501, total energy = -13.078345104685443

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: -13.078345
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.573655690811579, total energy = -13.078345104684743

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: -13.078345
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 2.5736557960510282, total energy = -13.078345104689703

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: -13.078345
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.573655347526075, total energy = -13.078345104680771

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: -13.078345
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5736557150259616, total energy = -13.078345104687727

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: -13.078345
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5736555679759476, total energy = -13.07834510468021

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: -13.078345
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.573655581474305, total energy = -13.078345104684729

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: -13.078345
         Iterations: 34
         Function evaluations: 77
Results for this minimization:
  a = 2.573655708623119, total energy = -13.078345104688445

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: -13.078345
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.57365561388433, total energy = -13.078345104682391

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: -13.078345
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5736559042154115, total energy = -13.078345104684121

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: -13.078345
         Iterations: 32
         Function evaluations: 74
Results for this minimization:
  a = 2.573655664920807, total energy = -13.078345104686575

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: -13.078345
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.573655491578394, total energy = -13.078345104680661

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: -13.078345
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.573655953328125, total energy = -13.078345104682104

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: -13.078345
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5736553661525243, total energy = -13.078345104676739

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: -13.078345
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.573655842989682, total energy = -13.078345104687223

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: -13.078345
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.5736555736511946, total energy = -13.078345104685699

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: -13.078345
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5736560158431523, total energy = -13.078345104685127

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: -13.078345
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.573655955865978, total energy = -13.078345104681539

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: -13.078345
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 2.5736557011725365, total energy = -13.07834510468562

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: -13.078345
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.573655501008032, total energy = -13.078345104682287

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: -13.078345
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5736561408266425, total energy = -13.078345104678839

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: -13.078345
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.5736558048112745, total energy = -13.078345104681375

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: -13.078345
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5736555095762, total energy = -13.07834510468217

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: -13.078345
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 2.5736557256430412, total energy = -13.07834510468807

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: -13.078345
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.5736558194505017, total energy = -13.078345104683194

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: -13.078345
         Iterations: 39
         Function evaluations: 88
Results for this minimization:
  a = 2.5736561492085457, total energy = -13.07834510467584

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: -13.078345
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5736558854579883, total energy = -13.07834510468248

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: -13.078345
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.5736552838818145, total energy = -13.078345104679606

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: -13.078345
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.5736560706049225, total energy = -13.07834510469207

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: -13.078345
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5736558320408185, total energy = -13.078345104684438

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: -13.078345
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.5736555008916184, total energy = -13.078345104678943

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: -13.078345
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5736557821044643, total energy = -13.078345104685098

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: -13.078345
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 2.573656368255614, total energy = -13.07834510467164

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: -13.078345
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5736556530624535, total energy = -13.078345104681794

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: -13.078345
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.5736556397168853, total energy = -13.078345104683942

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: -13.078345
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5736554730683565, total energy = -13.078345104682315

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: -13.078345
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 2.5736554861068663, total energy = -13.07834510468367

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: -13.078345
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 2.573655642842639, total energy = -13.078345104682292

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: -13.078345
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 2.5736555948853406, total energy = -13.078345104680551

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.57365607] Angstroms and c = 3.362210211412489 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.078624
         Iterations: 71
         Function evaluations: 158
Results for this minimization:
  a = 2.5700570132944858, c = 4.2122479167039675, total energy = -13.07862406316454

Attempting to perform relaxation using initial lattice constant guess of a = [2.57365607] Angstroms and c = 3.5723483496257695 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.078624
         Iterations: 69
         Function evaluations: 158
Results for this minimization:
  a = 2.5700565975148475, c = 4.212248240071304, total energy = -13.078624063162378

Attempting to perform relaxation using initial lattice constant guess of a = [2.57365607] Angstroms and c = 3.78248648783905 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.078624
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.5700569659648362, c = 4.212247416640423, total energy = -13.078624063161016

Attempting to perform relaxation using initial lattice constant guess of a = [2.57365607] Angstroms and c = 3.9926246260523306 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.078624
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.570056380179163, c = 4.212248220622742, total energy = -13.078624063164288

Attempting to perform relaxation using initial lattice constant guess of a = [2.57365607] Angstroms and c = 4.202762764265611 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.078624
         Iterations: 63
         Function evaluations: 142
Results for this minimization:
  a = 2.570056234728672, c = 4.212248812295391, total energy = -13.078624063163424

Attempting to perform relaxation using initial lattice constant guess of a = [2.57365607] Angstroms and c = 4.412900902478892 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.078624
         Iterations: 70
         Function evaluations: 156
Results for this minimization:
  a = 2.5700569749778737, c = 4.21224759568744, total energy = -13.078624063160635

Attempting to perform relaxation using initial lattice constant guess of a = [2.57365607] Angstroms and c = 4.623039040692172 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.078624
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.5700571031602673, c = 4.212247005232232, total energy = -13.078624063162566

Attempting to perform relaxation using initial lattice constant guess of a = [2.57365607] Angstroms and c = 4.833177178905453 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.078624
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.5700565757126927, c = 4.212248220342918, total energy = -13.078624063164725

Attempting to perform relaxation using initial lattice constant guess of a = [2.57365607] Angstroms and c = 5.043315317118733 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.078624
         Iterations: 70
         Function evaluations: 158
Results for this minimization:
  a = 2.570056326604533, c = 4.212249606897711, total energy = -13.07862406315732

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

 Final lattice Constants:
   a = 2.5700565757126927 Angstroms, c = 4.212248220342918 Angstroms, c/a = 1.638971

 Total energy: -13.078624063164725 eV

 Cohesive energy: -3.269656015791181 eV/atom

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