Element = Lattice = Model = Element: C
Lattice: hcp
Model: Tersoff_LAMMPS_Tersoff_1990_SiC__MO_444207127575_000
Computed model cutoff of 2.50000000420961 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: -14.228686
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.0711704343557376, total energy = -14.228686033689076

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: -14.228686
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.0711704362183805, total energy = -14.228686033689064

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: -14.228686
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.071170434355736, total energy = -14.228686033689078

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: -14.228686
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.0711704324930937, total energy = -14.228686033689073

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: -14.228686
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.0711704353801923, total energy = -14.228686033689069

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: -14.228686
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.071170433983209, total energy = -14.228686033689065

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: -14.228686
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.071170435473324, total energy = -14.22868603368907

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: -14.228686
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.0711704393615946, total energy = -14.22868603368907

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: -14.228686
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.0711704358458523, total energy = -14.228686033689069

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: -14.228686
         Iterations: 31
         Function evaluations: 65
Results for this minimization:
  a = 2.0711704338900745, total energy = -14.228686033689057

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: -14.228686
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.0711704328656193, total energy = -14.228686033689067

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: -14.228686
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.071170436544344, total energy = -14.228686033689074

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.625, total energy = 0.0

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: -14.228686
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.0711704211309554, total energy = -14.228686033689069

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.75, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.875, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.07117043] Angstroms and c = 2.705765725072083 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.228688
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.0709353446932592, c = 3.3829750275597608, total energy = -14.22868845140351

Attempting to perform relaxation using initial lattice constant guess of a = [2.07117043] Angstroms and c = 2.874876082889088 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.228688
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.0709353434328985, c = 3.3829750498971385, total energy = -14.228688451403515

Attempting to perform relaxation using initial lattice constant guess of a = [2.07117043] Angstroms and c = 3.0439864407060933 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.228688
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.070935339612434, c = 3.3829750301546078, total energy = -14.228688451403517

Attempting to perform relaxation using initial lattice constant guess of a = [2.07117043] Angstroms and c = 3.2130967985230985 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.228688
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 2.070935334547147, c = 3.3829749824825504, total energy = -14.228688451403487

Attempting to perform relaxation using initial lattice constant guess of a = [2.07117043] Angstroms and c = 3.3822071563401037 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.228688
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.0709353248501357, c = 3.3829750824463343, total energy = -14.228688451403507

Attempting to perform relaxation using initial lattice constant guess of a = [2.07117043] Angstroms and c = 3.551317514157109 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.228688
         Iterations: 65
         Function evaluations: 144
Results for this minimization:
  a = 2.070935361013519, c = 3.382975064013073, total energy = -14.228688451403507

Attempting to perform relaxation using initial lattice constant guess of a = [2.07117043] Angstroms and c = 3.720427871974114 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.228688
         Iterations: 63
         Function evaluations: 138
Results for this minimization:
  a = 2.0709353537450275, c = 3.3829750096725437, total energy = -14.228688451403508

Attempting to perform relaxation using initial lattice constant guess of a = [2.07117043] Angstroms and c = 3.8895382297911194 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.228688
         Iterations: 75
         Function evaluations: 152
Results for this minimization:
  a = 2.070935348168711, c = 3.3829750520769886, total energy = -14.228688451403508

Attempting to perform relaxation using initial lattice constant guess of a = [2.07117043] Angstroms and c = 4.058648587608125 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.228688
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.070935355740702, c = 3.382975012828979, total energy = -14.228688451403514

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

 Final lattice Constants:
   a = 2.070935339612434 Angstroms, c = 3.3829750301546078 Angstroms, c/a = 1.633549

 Total energy: -14.228688451403517 eV

 Cohesive energy: -3.5571721128508793 eV/atom

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