Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: Sim_LAMMPS_MEAM_LiyanageSeongGonHouze_2014_FeC__SM_652425777808_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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.548530438542369, total energy = -16.674199948933822

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: 85
Results for this minimization:
  a = 2.5485304350033404, total energy = -16.674199948933826

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: 84
Results for this minimization:
  a = 2.548530425876379, total energy = -16.674199948933822

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: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5485304192174283, total energy = -16.674199948933815

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5485304310917885, total energy = -16.67419994893382

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5485304318368445, 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: 78
Results for this minimization:
  a = 2.5485304333269596, total energy = -16.674199948933822

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5485304326284677, 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: 72
Results for this minimization:
  a = 2.548530435562135, total energy = -16.674199948933822

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.548530435585418, total energy = -16.674199948933826

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5485304350033404, total energy = -16.674199948933822

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: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.548530431464314, total energy = -16.674199948933822

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: 68
Results for this minimization:
  a = 2.5485304333269596, total energy = -16.674199948933826

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: 71
Results for this minimization:
  a = 2.548530425503851, total energy = -16.67419994893382

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: 73
Results for this minimization:
  a = 2.54853042177856, total energy = -16.67419994893382

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: 71
Results for this minimization:
  a = 2.5485304396599524, total energy = -16.67419994893382

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5485304358415295, 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: 74
Results for this minimization:
  a = 2.5485304347239435, 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: 74
Results for this minimization:
  a = 2.54853043789044, total energy = -16.67419994893383

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.548530428297817, 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: 76
Results for this minimization:
  a = 2.548530428111552, total energy = -16.67419994893382

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5485304277739473, total energy = -16.67419994893382

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5485304438043386, total energy = -16.67419994893382

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5485304305329883, total energy = -16.674199948933822

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: 77
Results for this minimization:
  a = 2.5485304322093714, total energy = -16.674199948933826

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 = 2.5485304418834875, 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: 79
Results for this minimization:
  a = 2.548530435189602, 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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5485304333269596, total energy = -16.674199948933822

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: 81
Results for this minimization:
  a = 2.548530436679717, total energy = -16.674199948933826

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 = 2.548530438984743, total energy = -16.674199948933826

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.54853044] Angstroms and c = 3.3293862222844557 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 2.546551453254548, c = 4.168219348413493, total energy = -16.67429192648589

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853044] Angstroms and c = 3.537472861177234 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.5465514436983927, c = 4.168219382848431, total energy = -16.67429192648589

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853044] Angstroms and c = 3.7455595000700126 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.5465514586539957, c = 4.168219360065912, total energy = -16.67429192648589

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853044] Angstroms and c = 3.953646138962791 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.546551459258644, c = 4.168219349249378, total energy = -16.674291926485886

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853044] Angstroms and c = 4.161732777855569 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 66
         Function evaluations: 138
Results for this minimization:
  a = 2.5465514563946825, c = 4.1682193445688736, total energy = -16.67429192648589

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853044] Angstroms and c = 4.3698194167483475 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 71
         Function evaluations: 146
Results for this minimization:
  a = 2.546551462282747, c = 4.168219333674419, total energy = -16.67429192648589

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853044] Angstroms and c = 4.577906055641126 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 2.546551451693321, c = 4.168219366276768, total energy = -16.674291926485893

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853044] Angstroms and c = 4.785992694533904 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 2.546551445627963, c = 4.168219341979956, total energy = -16.67429192648589

Attempting to perform relaxation using initial lattice constant guess of a = [2.54853044] Angstroms and c = 4.994079333426683 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.674292
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.5465514681125523, c = 4.168219326514684, total energy = -16.674291926485886

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

 Final lattice Constants:
   a = 2.546551451693321 Angstroms, c = 4.168219366276768 Angstroms, c/a = 1.636809

 Total energy: -16.674291926485893 eV

 Cohesive energy: -4.168572981621473 eV/atom

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