Element = Lattice = Model = Element: Zn
Lattice: hcp
Model: MEAM_LAMMPS_JangKimLee_2018_ZnMg__MO_474962707676_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: -4.360000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7699999332428007, total energy = -4.360000003311095

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: -4.360000
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.769999946374446, total energy = -4.360000003311095

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: -4.360000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7699999380856752, total energy = -4.360000003311095

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: -4.360000
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.769999946095056, total energy = -4.360000003311094

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: -4.360000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.769999952241781, total energy = -4.360000003311094

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: -4.360000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.769999951124194, total energy = -4.360000003311094

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: -4.360000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7699999496340757, total energy = -4.360000003311094

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: -4.360000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7699999399483204, total energy = -4.360000003311094

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: -4.360000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7699999449774637, total energy = -4.360000003311095

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: -4.360000
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.7699999480973947, total energy = -4.360000003311095

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: -4.360000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.769999945326709, total energy = -4.360000003311095

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: -4.360000
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7699999399483195, total energy = -4.360000003311095

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: -4.360000
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7699999432079494, total energy = -4.360000003311095

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: -4.360000
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7699999482079876, total energy = -4.360000003311094

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: -4.360000
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.7699999399483204, total energy = -4.360000003311095

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: -4.360000
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.769999949634075, total energy = -4.360000003311096

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: -4.360000
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7699999444186676, total energy = -4.360000003311094

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: -4.360000
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7699999429751188, total energy = -4.360000003311096

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: -4.360000
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7699999414384364, total energy = -4.360000003311094

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: -4.360000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.769999943440779, total energy = -4.360000003311096

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: -4.360000
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.7699999473523333, total energy = -4.360000003311095

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: -4.360000
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7699999464675766, total energy = -4.360000003311094

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: -4.360000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.769999942742288, total energy = -4.360000003311095

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: -4.360000
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7699999451637245, total energy = -4.360000003311095

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: -4.360000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7699999477714283, total energy = -4.360000003311095

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: -4.360000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7699999491684144, total energy = -4.360000003311094

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: -4.360000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.769999945722518, total energy = -4.360000003311095

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: -4.360000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7699999450705945, total energy = -4.360000003311095

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: -4.360000
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.76999994050711, total energy = -4.360000003311096

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: -4.360000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7699999378528433, total energy = -4.360000003311094

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: -4.360000
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.769999943487348, total energy = -4.360000003311094

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: -4.360000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7699999440868823, total energy = -4.360000003311095

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: -4.360000
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.769999941752758, total energy = -4.360000003311095

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: -4.360000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.769999939575787, total energy = -4.360000003311094

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: -4.360000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.769999936595558, total energy = -4.360000003311094

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: -4.360000
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.769999947631733, total energy = -4.360000003311095

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: -4.360000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.769999946095046, total energy = -4.360000003311095

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: -4.360000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.769999945536256, total energy = -4.360000003311095

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: -4.360000
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7699999399948814, total energy = -4.360000003311094

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: -4.360000
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.769999942381399, total energy = -4.360000003311094

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: -4.360000
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7699999511241833, total energy = -4.360000003311094

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.76999995] Angstroms and c = 3.618712780873913 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.360802
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.7778654281670674, c = 4.498084391550337, total energy = -4.36080243280697

Attempting to perform relaxation using initial lattice constant guess of a = [2.76999995] Angstroms and c = 3.8448823296785326 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.360802
         Iterations: 78
         Function evaluations: 161
Results for this minimization:
  a = 2.777865433316943, c = 4.498084365828165, total energy = -4.360802432806971

Attempting to perform relaxation using initial lattice constant guess of a = [2.76999995] Angstroms and c = 4.071051878483152 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.360802
         Iterations: 72
         Function evaluations: 145
Results for this minimization:
  a = 2.777865432083383, c = 4.498084371618417, total energy = -4.360802432806972

Attempting to perform relaxation using initial lattice constant guess of a = [2.76999995] Angstroms and c = 4.297221427287772 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.360802
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.7778654284937025, c = 4.498084363155062, total energy = -4.360802432806971

Attempting to perform relaxation using initial lattice constant guess of a = [2.76999995] Angstroms and c = 4.523390976092392 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.360802
         Iterations: 63
         Function evaluations: 141
Results for this minimization:
  a = 2.7778654311272737, c = 4.498084370738633, total energy = -4.360802432806972

Attempting to perform relaxation using initial lattice constant guess of a = [2.76999995] Angstroms and c = 4.749560524897011 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.360802
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.7778654250926573, c = 4.498084366443352, total energy = -4.360802432806972

Attempting to perform relaxation using initial lattice constant guess of a = [2.76999995] Angstroms and c = 4.97573007370163 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.360802
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.777865419196207, c = 4.498084390806948, total energy = -4.360802432806971

Attempting to perform relaxation using initial lattice constant guess of a = [2.76999995] Angstroms and c = 5.20189962250625 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.360802
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.777865428201363, c = 4.498084378213832, total energy = -4.360802432806972

Attempting to perform relaxation using initial lattice constant guess of a = [2.76999995] Angstroms and c = 5.42806917131087 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.360802
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.777865428235785, c = 4.498084374003212, total energy = -4.360802432806972

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

 Final lattice Constants:
   a = 2.777865432083383 Angstroms, c = 4.498084371618417 Angstroms, c/a = 1.619259

 Total energy: -4.360802432806972 eV

 Cohesive energy: -1.090200608201743 eV/atom

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