Element = Lattice = Model = Element: Zn
Lattice: hcp
Model: MEAM_LAMMPS_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_000
Computed model cutoff of 5.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Zn

==============================================================================
==============================================================================
 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: -5.300000
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7849999666214043, total energy = -5.300000000139

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: -5.300000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.784999968111515, total energy = -5.300000000139

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: -5.300000
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.784999972092919, total energy = -5.3000000001390015

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: -5.300000
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.784999968606287, total energy = -5.300000000139001

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: -5.300000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7849999639205656, total energy = -5.300000000138999

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: -5.300000
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7849999671801937, total energy = -5.300000000138998

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: -5.300000
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.784999959252309, total energy = -5.300000000138998

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: -5.300000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.784999973140657, total energy = -5.300000000138998

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: -5.300000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7849999666214025, total energy = -5.300000000138998

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: -5.300000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7849999590776866, total energy = -5.300000000138999

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: -5.300000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.784999968111516, total energy = -5.300000000139

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: -5.300000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.784999968018381, total energy = -5.300000000138999

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: -5.300000
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7849999740719795, total energy = -5.300000000138998

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: -5.300000
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.7849999748170378, total energy = -5.300000000138997

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: -5.300000
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.7849999748170378, total energy = -5.300000000138998

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: -5.300000
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.784999964479357, total energy = -5.300000000138999

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: -5.300000
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 2.7849999678321167, total energy = -5.300000000139

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: -5.300000
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7849999579484574, total energy = -5.300000000138997

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: -5.300000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.78499996657483, total energy = -5.300000000139001

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: -5.300000
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.78499997020699, total energy = -5.300000000138998

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: -5.300000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7849999753874717, total energy = -5.300000000139

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: -5.300000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7849999703816133, total energy = -5.300000000138999

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: -5.300000
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7849999689497054, total energy = -5.300000000138997

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: -5.300000
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.784999971278009, total energy = -5.300000000139

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: -5.300000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.784999975562096, total energy = -5.300000000138998

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: -5.300000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7849999655969455, total energy = -5.300000000138997

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: -5.300000
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7849999606609313, total energy = -5.300000000138999

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: -5.300000
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7849999787285924, total energy = -5.300000000138999

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: -5.300000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7849999731406534, total energy = -5.300000000138998

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: -5.300000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.784999976982361, total energy = -5.300000000138998

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: -5.300000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7849999627098447, total energy = -5.300000000138998

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: -5.300000
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.78499996566679, total energy = -5.300000000138998

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: -5.300000
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7849999726749957, total energy = -5.300000000139

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: -5.300000
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7849999691825316, total energy = -5.300000000138998

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: -5.300000
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.784999975428217, total energy = -5.300000000138999

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: -5.300000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7849999655969455, total energy = -5.300000000138997

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: -5.300000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7849999737925795, total energy = -5.300000000138998

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: -5.300000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7849999773316085, total energy = -5.300000000138998

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: -5.300000
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.784999977331603, total energy = -5.300000000138997

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: -5.300000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7849999687168725, total energy = -5.300000000138999

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: -5.300000
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7849999636411584, total energy = -5.300000000138997

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.78499997] Angstroms and c = 3.6383087281562894 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.401728
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 2.6680094795955958, c = 4.941084906897455, total energy = -5.401727748616744

Attempting to perform relaxation using initial lattice constant guess of a = [2.78499997] Angstroms and c = 3.8657030236660574 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.401728
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 2.6680094914590944, c = 4.941084928084523, total energy = -5.401727748616741

Attempting to perform relaxation using initial lattice constant guess of a = [2.78499997] Angstroms and c = 4.0930973191758255 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.401728
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.668009463955583, c = 4.941084941737032, total energy = -5.401727748616742

Attempting to perform relaxation using initial lattice constant guess of a = [2.78499997] Angstroms and c = 4.320491614685594 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.401728
         Iterations: 78
         Function evaluations: 165
Results for this minimization:
  a = 2.668009482791452, c = 4.941084918945087, total energy = -5.401727748616745

Attempting to perform relaxation using initial lattice constant guess of a = [2.78499997] Angstroms and c = 4.547885910195362 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.401728
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.668009461091756, c = 4.941085008883354, total energy = -5.401727748616742

Attempting to perform relaxation using initial lattice constant guess of a = [2.78499997] Angstroms and c = 4.77528020570513 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.401728
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.668009473015868, c = 4.941084890728979, total energy = -5.401727748616744

Attempting to perform relaxation using initial lattice constant guess of a = [2.78499997] Angstroms and c = 5.002674501214898 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.401728
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.668009483638537, c = 4.941084910836285, total energy = -5.401727748616744

Attempting to perform relaxation using initial lattice constant guess of a = [2.78499997] Angstroms and c = 5.230068796724666 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.401728
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 2.6680094892163826, c = 4.94108488577567, total energy = -5.401727748616743

Attempting to perform relaxation using initial lattice constant guess of a = [2.78499997] Angstroms and c = 5.457463092234434 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.401728
         Iterations: 74
         Function evaluations: 162
Results for this minimization:
  a = 2.6680094803171404, c = 4.941084875980971, total energy = -5.401727748616745

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

 Final lattice Constants:
   a = 2.668009482791452 Angstroms, c = 4.941084918945087 Angstroms, c/a = 1.851974

 Total energy: -5.401727748616745 eV

 Cohesive energy: -1.3504319371541862 eV/atom

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