Element = Lattice = Model = Element: Li
Lattice: hcp
Model: MEAM_LAMMPS_KimJungLee_2012_LiMg__MO_427397414195_000
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species Li

==============================================================================
==============================================================================
 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: -6.592966
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.1093986123800326, total energy = -6.592965694113211

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: -6.592966
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.109398615919053, total energy = -6.592965694113211

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: -6.592966
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1093986025080085, total energy = -6.592965694113214

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: -6.592966
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.109398602880546, total energy = -6.592965694113211

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: -6.592966
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1093986159190576, total energy = -6.592965694113209

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: -6.592966
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.109398612414955, total energy = -6.592965694113212

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: -6.592966
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.1093986034393315, total energy = -6.592965694113211

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: -6.592966
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.1093986025080085, total energy = -6.592965694113211

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: -6.592966
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.1093986034393346, total energy = -6.592965694113212

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: -6.592966
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1093985950574297, total energy = -6.592965694113211

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: -6.592966
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1093986247200522, total energy = -6.592965694113212

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: -6.592966
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.1093985820189105, total energy = -6.592965694113212

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: -6.592966
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.109398603439331, total energy = -6.592965694113214

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: -6.592966
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.109398586163298, total energy = -6.592965694113209

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: -6.592966
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.1093986161984515, total energy = -6.592965694113209

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: -6.592966
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.109398578340188, total energy = -6.592965694113207

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: -6.592966
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.1093986209481956, total energy = -6.592965694113211

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: -6.592966
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.109398620435968, total energy = -6.592965694113209

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: -6.592966
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.1093985907733437, total energy = -6.59296569411321

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: -6.592966
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.109398618643173, total energy = -6.592965694113209

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: -6.592966
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.1093986037652934, total energy = -6.592965694113211

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: -6.592966
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 3.1093985771760337, total energy = -6.592965694113207

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: -6.592966
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.1093986332416534, total energy = -6.592965694113207

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: -6.592966
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.1093986248597476, total energy = -6.592965694113208

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: -6.592966
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.10939860343933, total energy = -6.592965694113213

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: -6.592966
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.109398637712002, total energy = -6.592965694113206

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: -6.592966
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.109398607723413, total energy = -6.592965694113212

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: -6.592966
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.109398603643058, total energy = -6.59296569411321

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: -6.592966
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.109398624300953, total energy = -6.592965694113206

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: -6.592966
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.109398604498709, total energy = -6.59296569411321

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: -6.592966
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1093985856132367, total energy = -6.59296569411321

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: -6.592966
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.109398590659837, total energy = -6.592965694113209

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: -6.592966
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1093986036721617, total energy = -6.592965694113212

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: -6.592966
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.10939859943464, total energy = -6.592965694113212

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.1093986] Angstroms and c = 4.062101324302781 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.592973
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 3.107928212647399, c = 5.082431607146988, total energy = -6.592972725556919

Attempting to perform relaxation using initial lattice constant guess of a = [3.1093986] Angstroms and c = 4.3159826570717055 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.592973
         Iterations: 67
         Function evaluations: 151
Results for this minimization:
  a = 3.107928184782319, c = 5.082431677556983, total energy = -6.592972725556919

Attempting to perform relaxation using initial lattice constant guess of a = [3.1093986] Angstroms and c = 4.56986398984063 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.592973
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 3.107928206718522, c = 5.082431681764714, total energy = -6.592972725556918

Attempting to perform relaxation using initial lattice constant guess of a = [3.1093986] Angstroms and c = 4.823745322609554 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.592973
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 3.1079282011591296, c = 5.08243172815381, total energy = -6.592972725556917

Attempting to perform relaxation using initial lattice constant guess of a = [3.1093986] Angstroms and c = 5.077626655378478 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.592973
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 3.1079282016768186, c = 5.082431710470893, total energy = -6.592972725556918

Attempting to perform relaxation using initial lattice constant guess of a = [3.1093986] Angstroms and c = 5.331507988147402 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.592973
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 3.1079282160177497, c = 5.082431649655796, total energy = -6.592972725556918

Attempting to perform relaxation using initial lattice constant guess of a = [3.1093986] Angstroms and c = 5.585389320916327 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.592973
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.107928185455642, c = 5.0824317002490185, total energy = -6.592972725556919

Attempting to perform relaxation using initial lattice constant guess of a = [3.1093986] Angstroms and c = 5.839270653685251 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.592973
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 3.107928241273229, c = 5.082431603925979, total energy = -6.5929727255569155

Attempting to perform relaxation using initial lattice constant guess of a = [3.1093986] Angstroms and c = 6.093151986454175 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.592973
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.1079281998823096, c = 5.082431652754688, total energy = -6.592972725556918

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

 Final lattice Constants:
   a = 3.107928212647399 Angstroms, c = 5.082431607146988 Angstroms, c/a = 1.635312

 Total energy: -6.592972725556919 eV

 Cohesive energy: -1.6482431813892298 eV/atom

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