Element = Lattice = Model = Element: H
Lattice: hcp
Model: MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_001
Computed model cutoff of 4.99999990001323 Angstroms
Computed isolated atomic energy of 0.0 eV for species H

==============================================================================
==============================================================================
 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: -0.162924
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.350630414485935, total energy = -0.16292420663773607

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: -0.162924
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.350630417093634, total energy = -0.16292420663773652

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: -0.162924
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.350630412460305, total energy = -0.1629242066377362

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: -0.162924
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.35063039666857, total energy = -0.16292420663773619

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: -0.162924
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.3506304137408747, total energy = -0.1629242066377364

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: -0.162924
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.350630421936513, total energy = -0.16292420663773627

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: -0.162924
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.35063039669767, total energy = -0.1629242066377361

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: -0.162924
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.3506304245674983, total energy = -0.16292420663773577

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: -0.162924
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.3506304167211063, total energy = -0.16292420663773624

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: -0.162924
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.3506304107606413, total energy = -0.16292420663773582

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: -0.162924
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.3506304137408733, total energy = -0.162924206637736

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: -0.162924
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.350630417093634, total energy = -0.1629242066377368

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: -0.162924
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.350630406057462, total energy = -0.16292420663773607

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: -0.162924
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.3506304025650024, total energy = -0.16292420663773607

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: -0.162924
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.350630410690792, total energy = -0.1629242066377358

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: -0.162924
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.3506304210051887, total energy = -0.16292420663773613

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: -0.162924
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.350630420516243, total energy = -0.16292420663773657

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: -0.162924
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.350630396977067, total energy = -0.16292420663773605

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: -0.162924
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.3506303976464533, total energy = -0.16292420663773646

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: -0.162924
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.3506304055947105, total energy = -0.162924206637736

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: -0.162924
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.350630414299666, total energy = -0.16292420663773663

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: -0.162924
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.350630382448432, total energy = -0.16292420663773555

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: -0.162924
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.3506304249167442, total energy = -0.16292420663773602

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: -0.162924
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.350630426045969, total energy = -0.1629242066377356

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: -0.162924
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.35063042640686, total energy = -0.16292420663773574

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: -0.162924
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.350630404800178, total energy = -0.16292420663773596

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: -0.162924
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.3506303980946504, total energy = -0.16292420663773594

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: -0.162924
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.3506304188631475, total energy = -0.16292420663773605

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: -0.162924
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.3506303955102292, total energy = -0.162924206637736

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: -0.162924
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.350630414206533, total energy = -0.1629242066377361

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: -0.162924
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.350630395859481, total energy = -0.16292420663773577

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: -0.162924
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.3506304098293143, total energy = -0.16292420663773616

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: -0.162924
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.350630411878228, total energy = -0.16292420663773588

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 3.070850717730667 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.514217
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 2.6669012150320017, c = 2.1775156542125673, total energy = -0.5142166459641107

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 3.2627788875888335 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.514217
         Iterations: 77
         Function evaluations: 158
Results for this minimization:
  a = 2.6669011087008876, c = 2.177515831825233, total energy = -0.5142166459641109

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 3.454707057447 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.514217
         Iterations: 86
         Function evaluations: 180
Results for this minimization:
  a = 2.666901295475852, c = 2.177515548776155, total energy = -0.5142166459641107

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 3.6466352273051665 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
Attempted to evaluate energy at a = 2.9970537817943814 Angstroms and c = 0.36466352273051506 Angstroms; the model cutoff was estimated to be 4.99999990001323 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 3.838563397163333 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 107
         Function evaluations: 247
Results for this minimization:
  a = 1.8903506991778114, c = 10.129624566124635, total energy = -0.4955471513487035

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 4.0304915670215 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 106
         Function evaluations: 240
Results for this minimization:
  a = 1.890350700548166, c = 10.106866070039782, total energy = -0.4955471513487027

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 4.222419736879666 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 114
         Function evaluations: 248
Results for this minimization:
  a = 1.8903507164170132, c = 10.142135162295126, total energy = -0.4955471513487043

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 4.414347906737833 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 95
         Function evaluations: 215
Results for this minimization:
  a = 1.8903507058644013, c = 9.84095425906403, total energy = -0.4955471513487038

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 4.606276076595999 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 101
         Function evaluations: 234
Results for this minimization:
  a = 1.890350705549348, c = 10.278292362205072, total energy = -0.4955471513487037

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

 Final lattice Constants:
   a = 2.6669011087008876 Angstroms, c = 2.177515831825233 Angstroms, c/a = 0.816497

 Total energy: -0.5142166459641109 eV

 Cohesive energy: -0.12855416149102772 eV/atom

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