Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: MEAM_LAMMPS_LeeJang_2007_FeH__MO_095610951957_000
Computed model cutoff of 3.5999999965727416 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: -16.983638
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.525721645355228, total energy = -16.98363812955233

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: -16.983638
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.525721641164273, total energy = -16.983638129552332

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: -16.983638
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.5257216412574053, total energy = -16.983638129552332

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: -16.983638
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5257216397672932, total energy = -16.98363812955233

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: -16.983638
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.525721636693927, total energy = -16.98363812955234

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: -16.983638
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.525721637997778, total energy = -16.983638129552325

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: -16.983638
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5257216359954335, total energy = -16.983638129552332

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: -16.983638
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5257216406753287, total energy = -16.983638129552332

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: -16.983638
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.525721633434297, total energy = -16.98363812955233

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: -16.983638
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5257216397672897, total energy = -16.983638129552332

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: -16.983638
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5257216436788443, total energy = -16.983638129552325

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: -16.983638
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5257216438651087, total energy = -16.983638129552325

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: -16.983638
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5257216412574053, total energy = -16.98363812955233

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: -16.983638
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5257216447964304, total energy = -16.983638129552332

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: -16.983638
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5257216377183784, total energy = -16.983638129552325

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: -16.983638
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.525721634284127, total energy = -16.983638129552332

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: -16.983638
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.525721640884875, total energy = -16.983638129552325

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: -16.983638
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.525721636484377, total energy = -16.983638129552336

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: -16.983638
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5257216320198497, total energy = -16.98363812955233

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: -16.983638
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5257216334110115, total energy = -16.983638129552332

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: -16.983638
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5257216350175433, total energy = -16.983638129552332

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: -16.983638
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5257216349244103, total energy = -16.983638129552332

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 3.2995889291772347 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.535392433957642, c = 4.093949669334311, total energy = -16.98587407353071

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 3.5058132372508117 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 84
         Function evaluations: 176
Results for this minimization:
  a = 2.5353924306235793, c = 4.093949675342568, total energy = -16.985874073530713

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 3.712037545324389 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.535392426164278, c = 4.093949668986467, total energy = -16.985874073530717

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 3.918261853397966 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 78
         Function evaluations: 171
Results for this minimization:
  a = 2.535392415853467, c = 4.0939497034907095, total energy = -16.985874073530713

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 4.124486161471543 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 78
         Function evaluations: 166
Results for this minimization:
  a = 2.5353924215107524, c = 4.093949703243114, total energy = -16.985874073530713

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 4.33071046954512 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 77
         Function evaluations: 166
Results for this minimization:
  a = 2.5353924263548078, c = 4.093949659299936, total energy = -16.985874073530713

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 4.536934777618697 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.535392406070036, c = 4.093949733707708, total energy = -16.985874073530713

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 4.743159085692274 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 72
         Function evaluations: 160
Results for this minimization:
  a = 2.5353924119708218, c = 4.09394968533651, total energy = -16.98587407353071

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 4.949383393765851 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 77
         Function evaluations: 161
Results for this minimization:
  a = 2.5353924246323594, c = 4.093949660934971, total energy = -16.985874073530713

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

 Final lattice Constants:
   a = 2.535392426164278 Angstroms, c = 4.093949668986467 Angstroms, c/a = 1.614720

 Total energy: -16.985874073530717 eV

 Cohesive energy: -4.246468518382679 eV/atom

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