Element = Lattice = Model = Element: Mo
Lattice: hcp
Model: MEAM_LAMMPS_LeeBaskesKim_2001_Mo__MO_805823015127_000
Computed model cutoff of 3.79999999314547 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mo

==============================================================================
==============================================================================
 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: -26.724317
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.821791160106663, total energy = -26.72431739501271

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: -26.724317
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.8217911711893975, total energy = -26.72431739501271

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: -26.724317
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8217911645770073, total energy = -26.724317395012708

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: -26.724317
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8217911633197277, total energy = -26.724317395012708

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: -26.724317
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.821791164763275, total energy = -26.724317395012708

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: -26.724317
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.821791160351132, total energy = -26.724317395012708

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: -26.724317
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8217911753803495, total energy = -26.724317395012704

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: -26.724317
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.821791160851717, total energy = -26.72431739501271

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: -26.724317
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8217911630868935, total energy = -26.72431739501271

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: -26.724317
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.821791170584038, total energy = -26.724317395012708

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: -26.724317
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8217911586165427, total energy = -26.72431739501271

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: -26.724317
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8217911632556927, total energy = -26.724317395012708

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: -26.724317
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8217911696992815, total energy = -26.72431739501271

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: -26.724317
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8217911636456847, total energy = -26.72431739501271

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: -26.724317
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8217911658808585, total energy = -26.72431739501271

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: -26.724317
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.821791168861091, total energy = -26.724317395012708

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: -26.724317
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8217911630868913, total energy = -26.724317395012708

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: -26.724317
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.821791167370975, total energy = -26.724317395012704

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: -26.724317
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8217911614105096, total energy = -26.72431739501271

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: -26.724317
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8217911616549816, total energy = -26.72431739501271

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: -26.724317
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.821791170164942, total energy = -26.72431739501272

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: -26.724317
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8217911724350397, total energy = -26.72431739501271

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: -26.724317
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8217911636456847, total energy = -26.724317395012715

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: -26.724317
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8217911640182107, total energy = -26.72431739501271

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.82179117] Angstroms and c = 3.686372548050756 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.733465
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.8464720849445415, c = 4.529116143649852, total energy = -26.73346498157339

Attempting to perform relaxation using initial lattice constant guess of a = [2.82179117] Angstroms and c = 3.916770832303928 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.733465
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.8464720991235186, c = 4.5291160869297435, total energy = -26.73346498157339

Attempting to perform relaxation using initial lattice constant guess of a = [2.82179117] Angstroms and c = 4.1471691165571 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.733465
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.8464720956322607, c = 4.529116112626335, total energy = -26.73346498157339

Attempting to perform relaxation using initial lattice constant guess of a = [2.82179117] Angstroms and c = 4.377567400810273 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.733465
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.8464720947679387, c = 4.52911606333322, total energy = -26.73346498157339

Attempting to perform relaxation using initial lattice constant guess of a = [2.82179117] Angstroms and c = 4.607965685063444 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.733465
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.846472084634061, c = 4.5291161492788365, total energy = -26.7334649815734

Attempting to perform relaxation using initial lattice constant guess of a = [2.82179117] Angstroms and c = 4.838363969316617 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.733465
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.846472100893503, c = 4.529116094822187, total energy = -26.733464981573388

Attempting to perform relaxation using initial lattice constant guess of a = [2.82179117] Angstroms and c = 5.068762253569789 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.733465
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.8464720959535965, c = 4.529116088978416, total energy = -26.73346498157339

Attempting to perform relaxation using initial lattice constant guess of a = [2.82179117] Angstroms and c = 5.299160537822962 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.733465
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.8464720903517247, c = 4.529116118699119, total energy = -26.733464981573395

Attempting to perform relaxation using initial lattice constant guess of a = [2.82179117] Angstroms and c = 5.529558822076133 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.733465
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.8464720911227914, c = 4.529116124319163, total energy = -26.73346498157339

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

 Final lattice Constants:
   a = 2.846472084634061 Angstroms, c = 4.5291161492788365 Angstroms, c/a = 1.591133

 Total energy: -26.7334649815734 eV

 Cohesive energy: -6.68336624539335 eV/atom

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