Element = Lattice = Model = Element: C
Lattice: hcp
Model: MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_000
Computed model cutoff of 4.79999999620023 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: -10.116333
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.3875895127654103, total energy = -10.116332850739136

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: -10.116333
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.3875895176548516, total energy = -10.116332850739148

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: -10.116333
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.3875895282253623, total energy = -10.116332850739154

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: -10.116333
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.38758952962235, total energy = -10.116332850739145

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: -10.116333
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.387589535117151, total energy = -10.116332850739143

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: -10.116333
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.387589522358031, total energy = -10.11633285073915

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: -10.116333
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.3875895150937145, total energy = -10.11633285073914

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: -10.116333
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.3875895189121366, total energy = -10.116332850739138

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: -10.116333
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.3875895261764537, total energy = -10.116332850739143

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: -10.116333
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.3875895328819756, total energy = -10.116332850739147

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: -10.116333
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.3875895321136347, total energy = -10.116332850739143

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: -10.116333
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.387589528597891, total energy = -10.116332850739147

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: -10.116333
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.3875895366072655, total energy = -10.11633285073914

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: -10.116333
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.3875895222648977, total energy = -10.116332850739145

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: -10.116333
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.387589526292868, total energy = -10.116332850739147

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: -10.116333
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.3875895314849904, total energy = -10.11633285073915

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: -10.116333
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.3875895306467996, total energy = -10.116332850739145

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: -10.116333
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.3875895282253623, total energy = -10.116332850739145

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: -10.116333
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.3875895380973797, total energy = -10.116332850739141

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: -10.116333
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.387589526455849, total energy = -10.116332850739147

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: -10.116333
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.3875895366072646, total energy = -10.116332850739143

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: -10.116333
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.3875895177246975, total energy = -10.116332850739147

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: -10.116333
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.3875895321834832, total energy = -10.116332850739147

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: -10.116333
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.387589524220671, total energy = -10.116332850739147

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: -10.116333
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.3875895269215093, total energy = -10.116332850739143

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: -10.116333
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.3875895183533453, total energy = -10.116332850739143

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: -10.116333
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.3875895249657306, total energy = -10.116332850739143

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: -10.116333
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.3875895243836567, total energy = -10.116332850739147

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: -10.116333
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.387589528970415, total energy = -10.116332850739148

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: -10.116333
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.387589533021672, total energy = -10.116332850739145

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: -10.116333
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.387589532579297, total energy = -10.116332850739147

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: -10.116333
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.387589513882991, total energy = -10.116332850739138

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 3.1191338983277612 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.7536800073328878, c = 2.4516927842096266, total energy = -16.639648890501277

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 3.3140797669732462 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 76
         Function evaluations: 153
Results for this minimization:
  a = 2.7536800049316565, c = 2.4516927761147382, total energy = -16.639648890501284

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 3.5090256356187313 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 76
         Function evaluations: 155
Results for this minimization:
  a = 2.7536800095981935, c = 2.451692781690824, total energy = -16.63964889050128

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 3.7039715042642163 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 81
         Function evaluations: 166
Results for this minimization:
  a = 2.753680010733557, c = 2.4516927858240147, total energy = -16.63964889050128

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 3.8989173729097013 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 81
         Function evaluations: 172
Results for this minimization:
  a = 2.2336990421179905, c = 5.7752248653003235, total energy = -11.427289006762692

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 4.093863241555186 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 81
         Function evaluations: 164
Results for this minimization:
  a = 2.2336990573181756, c = 5.775224957200456, total energy = -11.427289006762686

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 4.288809110200671 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 79
         Function evaluations: 165
Results for this minimization:
  a = 2.2336990469870504, c = 5.775224876927632, total energy = -11.427289006762686

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 4.483754978846156 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 81
         Function evaluations: 169
Results for this minimization:
  a = 2.2336990581007594, c = 5.7752249869970536, total energy = -11.427289006762686

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 4.678700847491641 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.2336990488678, c = 5.775224849690844, total energy = -11.427289006762685

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

 Final lattice Constants:
   a = 2.7536800049316565 Angstroms, c = 2.4516927761147382 Angstroms, c/a = 0.890333

 Total energy: -16.639648890501284 eV

 Cohesive energy: -4.159912222625321 eV/atom

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