Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_000
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fe

==============================================================================
==============================================================================
 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: -16.674200
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5485304415226016, total energy = -16.67419994893383

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: -16.674200
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.548530428297818, total energy = -16.674199948933833

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: -16.674200
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5485304556787014, total energy = -16.67419994893382

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: -16.674200
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.548530427925294, total energy = -16.674199948933822

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: -16.674200
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.54853045344353, total energy = -16.674199948933815

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: -16.674200
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5485304315341644, total energy = -16.674199948933822

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: -16.674200
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5485304414760317, total energy = -16.674199948933826

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: -16.674200
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5485304361209273, total energy = -16.674199948933826

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: -16.674200
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5485304309055223, total energy = -16.67419994893383

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: -16.674200
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5485304288566124, total energy = -16.674199948933833

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: -16.674200
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5485304534435276, total energy = -16.67419994893381

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: -16.674200
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5485304376576092, total energy = -16.67419994893383

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: -16.674200
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.548530425876379, total energy = -16.67419994893382

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: -16.674200
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5485304411500698, total energy = -16.674199948933826

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: -16.674200
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5485304299741984, total energy = -16.674199948933826

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: -16.674200
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5485304385889314, total energy = -16.674199948933826

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: -16.674200
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.548530440032481, total energy = -16.674199948933822

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: -16.674200
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.548530434141867, total energy = -16.674199948933822

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: -16.674200
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5485304415225976, total energy = -16.674199948933822

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: -16.674200
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.548530438984744, total energy = -16.674199948933826

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: -16.674200
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5485304176807393, total energy = -16.674199948933815

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: -16.674200
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.548530422709881, total energy = -16.674199948933822

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: -16.674200
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5485304335015826, total energy = -16.674199948933822

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: -16.674200
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5485304357658567, total energy = -16.674199948933826

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: -16.674200
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.548530447576194, total energy = -16.674199948933822

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: -16.674200
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5485304299741998, total energy = -16.67419994893382

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: -16.674200
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.548530428856609, total energy = -16.674199948933822

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: -16.674200
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5485304202884436, total energy = -16.674199948933815

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: -16.674200
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.548530436679717, total energy = -16.674199948933822

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: -16.674200
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.548530441569163, total energy = -16.67419994893383

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.54853043] Angstroms and c = 3.329386209752707 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.546551463777055, c = 4.168219341449656, total energy = -16.67429192648589

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853043] Angstroms and c = 3.5374728478622512 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 73
         Function evaluations: 160
Results for this minimization:
  a = 2.546551455216152, c = 4.168219353423158, total energy = -16.674291926485893

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853043] Angstroms and c = 3.7455594859717953 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.546551460370705, c = 4.168219347775512, total energy = -16.674291926485893

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853043] Angstroms and c = 3.9536461240813394 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.546551449953866, c = 4.16821937398581, total energy = -16.67429192648589

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853043] Angstroms and c = 4.1617327621908835 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 63
         Function evaluations: 134
Results for this minimization:
  a = 2.5465514509985963, c = 4.168219342969025, total energy = -16.674291926485893

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853043] Angstroms and c = 4.369819400300427 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.5465514678420833, c = 4.168219353856581, total energy = -16.674291926485896

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853043] Angstroms and c = 4.577906038409972 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.5465514396767066, c = 4.168219349553619, total energy = -16.67429192648589

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853043] Angstroms and c = 4.785992676519516 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.546551439256337, c = 4.168219338201176, total energy = -16.674291926485886

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853043] Angstroms and c = 4.99407931462906 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.546551435265112, c = 4.1682194057777995, total energy = -16.674291926485886

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

 Final lattice Constants:
   a = 2.5465514678420833 Angstroms, c = 4.168219353856581 Angstroms, c/a = 1.636809

 Total energy: -16.674291926485896 eV

 Cohesive energy: -4.168572981621474 eV/atom

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