Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_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: 80
Results for this minimization:
  a = 2.525721640139821, total energy = -16.98363812967675

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.525721638649702, total energy = -16.983638129676752

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.525721638929099, total energy = -16.983638129676745

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.525721633620565, total energy = -16.983638129676745

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 = 2.52572164507583, total energy = -16.98363812967674

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.52572163436562, total energy = -16.98363812967674

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: 76
Results for this minimization:
  a = 2.5257216359954335, total energy = -16.98363812967674

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5257216417230666, total energy = -16.983638129676738

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: 73
Results for this minimization:
  a = 2.525721634179355, total energy = -16.98363812967674

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: 71
Results for this minimization:
  a = 2.5257216334342965, total energy = -16.983638129676738

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: 72
Results for this minimization:
  a = 2.525721638230607, total energy = -16.983638129676745

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: 68
Results for this minimization:
  a = 2.5257216403260827, total energy = -16.98363812967674

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: 69
Results for this minimization:
  a = 2.52572163566947, total energy = -16.98363812967674

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.52572163697332, total energy = -16.98363812967674

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: 72
Results for this minimization:
  a = 2.525721643865108, total energy = -16.983638129676738

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: 71
Results for this minimization:
  a = 2.525721636693924, total energy = -16.98363812967674

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5257216369733206, total energy = -16.98363812967674

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.525721630518092, total energy = -16.98363812967674

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 = 2.5257216319441795, total energy = -16.983638129676738

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: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5257216352969394, total energy = -16.98363812967674

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: 75
Results for this minimization:
  a = 2.5257216359954318, total energy = -16.98363812967674

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 = 2.525721637625246, total energy = -16.983638129676745

==============================================================================
==============================================================================
 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 = 3.2995889317322487 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.5353924159213572, c = 4.093949695953313, total energy = -16.985874073654728

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 3.505813239965514 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 79
         Function evaluations: 166
Results for this minimization:
  a = 2.5353924294147685, c = 4.093949673512107, total energy = -16.985874073654724

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 3.7120375481987793 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.5353924230352742, c = 4.093949698501227, total energy = -16.985874073654724

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 3.9182618564320446 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.5353924147918248, c = 4.09394970196304, total energy = -16.985874073654724

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 4.12448616466531 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 78
         Function evaluations: 170
Results for this minimization:
  a = 2.5353924214642616, c = 4.093949671812458, total energy = -16.985874073654724

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 4.330710472898575 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 79
         Function evaluations: 167
Results for this minimization:
  a = 2.5353924129627687, c = 4.093949716306316, total energy = -16.985874073654717

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 4.536934781131841 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 74
         Function evaluations: 151
Results for this minimization:
  a = 2.535392409409959, c = 4.093949699477366, total energy = -16.98587407365472

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 4.743159089365106 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.5353924200069957, c = 4.093949661788227, total energy = -16.98587407365472

Attempting to perform relaxation using initial lattice constant guess of a = [2.52572164] Angstroms and c = 4.949383397598371 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.985874
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.5353924217018764, c = 4.093949670900363, total energy = -16.98587407365472

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

 Final lattice Constants:
   a = 2.5353924159213572 Angstroms, c = 4.093949695953313 Angstroms, c/a = 1.614720

 Total energy: -16.985874073654728 eV

 Cohesive energy: -4.246468518413682 eV/atom

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