Element = Lattice = Model = Element: C
Lattice: hcp
Model: MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_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: 76
Results for this minimization:
  a = 2.1605113656260095, 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: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.160511379409581, total energy = -18.738998224845872

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: 81
Results for this minimization:
  a = 2.1605113754048944, total energy = -18.738998224845872

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.160511374287311, total energy = -18.738998224845872

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.1605113724246645, total energy = -18.738998224845876

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.16051137414761, 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: 71
Results for this minimization:
  a = 2.1605113696306937, total energy = -18.73899822484587

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.1605113721452653, total energy = -18.738998224845872

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: 67
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: 31
         Function evaluations: 65
Results for this minimization:
  a = 2.1605113744735718, total energy = -18.738998224845872

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.160511378676164, 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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.1605113614350557, 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: 74
Results for this minimization:
  a = 2.160511376336217, total energy = -18.738998224845876

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: 75
Results for this minimization:
  a = 2.1605113715864706, total energy = -18.738998224845876

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 = 2.160511374799534, total energy = -18.738998224845876

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: 76
Results for this minimization:
  a = 2.1605113781988603, 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: 77
Results for this minimization:
  a = 2.1605113690718993, total energy = -18.738998224845872

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: 75
Results for this minimization:
  a = 2.160511368419975, 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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.1605113759636865, total energy = -18.738998224845872

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.160511372232576, total energy = -18.738998224845876

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: 76
Results for this minimization:
  a = 2.1605113709345445, total energy = -18.738998224845876

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.160511367296565, total energy = -18.738998224845876

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 = 2.16051136655733, 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 = 2.16051137001486, total energy = -18.73899822484588

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: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.160511368513106, total energy = -18.738998224845872

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.1605113794095834, total energy = -18.73899822484588

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.160511387139555, total energy = -18.73899822484586

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: 79
Results for this minimization:
  a = 2.1605113653931767, total energy = -18.738998224845876

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: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.160511371603928, total energy = -18.738998224845876

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: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.1605113712139405, 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 = 2.822480234676177 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.734976
         Iterations: 72
         Function evaluations: 147
Results for this minimization:
  a = 2.567797710208664, c = 2.0507878946260134, total energy = -23.734975946407292

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 2.998885249343438 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.734976
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.567797720002631, c = 2.050787887637814, total energy = -23.734975946407296

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 3.175290264010699 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.734976
         Iterations: 79
         Function evaluations: 159
Results for this minimization:
  a = 2.5677977149192843, c = 2.050787890965707, total energy = -23.734975946407296

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 3.35169527867796 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.734976
         Iterations: 79
         Function evaluations: 164
Results for this minimization:
  a = 2.5677977109299013, c = 2.050787892408525, total energy = -23.7349759464073

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 3.5281002933452212 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.970026
         Iterations: 94
         Function evaluations: 202
Results for this minimization:
  a = 1.911506513667097, c = 7.839970232753684, total energy = -20.97002600294131

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 3.7045053080124823 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.970026
         Iterations: 95
         Function evaluations: 205
Results for this minimization:
  a = 1.911506504668341, c = 7.839965686329939, total energy = -20.970026002941292

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 3.8809103226797435 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.970026
         Iterations: 91
         Function evaluations: 193
Results for this minimization:
  a = 1.9115065098928983, c = 7.8399646531454765, total energy = -20.970026002941307

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 4.057315337347005 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.970026
         Iterations: 85
         Function evaluations: 189
Results for this minimization:
  a = 1.911506520129152, c = 7.8399663319316355, total energy = -20.970026002941314

Attempting to perform relaxation using initial lattice constant guess of a = [2.16051137] Angstroms and c = 4.233720352014266 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.970026
         Iterations: 93
         Function evaluations: 203
Results for this minimization:
  a = 1.9115065276339864, c = 7.8399804330419745, total energy = -20.970026002941303

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

 Final lattice Constants:
   a = 2.5677977109299013 Angstroms, c = 2.050787892408525 Angstroms, c/a = 0.798656

 Total energy: -23.7349759464073 eV

 Cohesive energy: -5.933743986601825 eV/atom

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