Element = Lattice = Model = Element: C
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 C

==============================================================================
==============================================================================
 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: -18.738998
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.1605113714933415, total energy = -18.738998224845876

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: -18.738998
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.1605113685131068, total energy = -18.738998224845865

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: -18.738998
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.1605113660916686, total energy = -18.73899822484587

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: -18.738998
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.1605113715981172, total energy = -18.73899822484587

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: -18.738998
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.160511372983458, total energy = -18.738998224845865

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: -18.738998
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.1605113674886534, total energy = -18.73899822484587

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: -18.738998
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.1605113696306937, total energy = -18.738998224845876

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: -18.738998
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.1605113721452653, total energy = -18.73899822484587

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: -18.738998
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.1605113685131077, total energy = -18.738998224845865

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: -18.738998
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.1605113807076126, total energy = -18.738998224845865

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: -18.738998
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.1605113714467725, total energy = -18.738998224845865

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: -18.738998
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.160511368513107, total energy = -18.738998224845865

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: -18.738998
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.160511367022991, total energy = -18.738998224845865

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: -18.738998
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.1605113696306932, total energy = -18.738998224845865

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: -18.738998
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.1605113717261695, total energy = -18.738998224845872

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: -18.738998
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.1605113739147765, total energy = -18.738998224845876

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: -18.738998
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.1605113686528044, total energy = -18.73899822484587

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: -18.738998
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.1605113754048944, total energy = -18.738998224845865

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: -18.738998
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.160511372331529, total energy = -18.73899822484587

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: -18.738998
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.160511372546898, total energy = -18.73899822484587

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: -18.738998
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.160511366371064, total energy = -18.73899822484587

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: -18.738998
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.160511367971773, total energy = -18.73899822484587

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: -18.738998
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.1605113819241524, total energy = -18.738998224845865

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: -18.738998
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.1605113703757475, total energy = -18.738998224845865

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: -18.738998
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.160511371493338, total energy = -18.738998224845865

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: -18.738998
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.1605113763362187, total energy = -18.738998224845865

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: -18.738998
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.1605113681405745, total energy = -18.738998224845872

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: -18.738998
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.160511367022991, total energy = -18.738998224845865

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: -18.738998
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.1605113685131014, total energy = -18.738998224845872

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: -18.738998
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.160511367768047, total energy = -18.738998224845872

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 2.822480236607657 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.734976
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.567797716316307, c = 2.050787889656843, total energy = -23.7349759464073

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 2.998885251395636 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.734976
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.567797715011146, c = 2.050787890301499, total energy = -23.734975946407296

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 3.1752902661836147 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.734976
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.567797722750079, c = 2.05078790823334, total energy = -23.73497594640729

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 3.3516952809715934 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.734976
         Iterations: 81
         Function evaluations: 164
Results for this minimization:
  a = 2.5677977164851424, c = 2.050787893888008, total energy = -23.734975946407296

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 3.528100295759572 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.970026
         Iterations: 100
         Function evaluations: 214
Results for this minimization:
  a = 1.9115065187081313, c = 7.83997108147183, total energy = -20.9700260029413

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 3.704505310547551 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.970026
         Iterations: 90
         Function evaluations: 198
Results for this minimization:
  a = 1.9115065223612828, c = 7.839975435099472, total energy = -20.9700260029413

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 3.8809103253355297 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.970026
         Iterations: 89
         Function evaluations: 190
Results for this minimization:
  a = 1.9115065208748387, c = 7.839976624898025, total energy = -20.9700260029413

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 4.057315340123509 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.970026
         Iterations: 79
         Function evaluations: 181
Results for this minimization:
  a = 1.9115065142225205, c = 7.839975440450173, total energy = -20.970026002941296

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 4.233720354911487 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.970026
         Iterations: 92
         Function evaluations: 203
Results for this minimization:
  a = 1.9115065177836232, c = 7.839967449715078, total energy = -20.970026002941292

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

 Final lattice Constants:
   a = 2.567797716316307 Angstroms, c = 2.050787889656843 Angstroms, c/a = 0.798656

 Total energy: -23.7349759464073 eV

 Cohesive energy: -5.933743986601825 eV/atom

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