Element = Lattice = Model = Element: C
Lattice: hcp
Model: Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000
Computed model cutoff of 2.1499999973923365 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: -11.561047
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 1.9368048399686837, total energy = -11.561047377826727

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: -11.561047
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 1.9368048361502588, total energy = -11.561047377826721

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: -11.561047
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 1.9368048375472426, total energy = -11.561047377826721

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: -11.561047
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 1.9368048381060383, total energy = -11.561047377826723

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: -11.561047
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 1.9368048392236243, total energy = -11.561047377826723

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: -11.561047
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 1.9368048370233741, total energy = -11.561047377826723

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: -11.561047
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 1.9368048395263036, total energy = -11.561047377826723

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: -11.561047
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 1.936804843135178, total energy = -11.561047377826716

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: -11.561047
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 1.9368048384785652, total energy = -11.561047377826723

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: -11.561047
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 1.9368048384785652, total energy = -11.561047377826723

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: -11.561047
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 1.9368048369884487, total energy = -11.561047377826725

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.375, total energy = 0.0

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 = 2.5, 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: 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 = 2.75 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 = [1.93680484] Angstroms and c = 2.5302312476139233 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316620
         Iterations: 83
         Function evaluations: 170
Results for this minimization:
  a = 2.4885502385034584, c = 2.1470967312719935, total energy = -16.31661982478709

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 2.6883707005897937 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316620
         Iterations: 79
         Function evaluations: 164
Results for this minimization:
  a = 2.4885502410664877, c = 2.147096736249006, total energy = -16.316619824787097

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 2.846510153565664 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316620
         Iterations: 80
         Function evaluations: 166
Results for this minimization:
  a = 2.4885502644855286, c = 2.1470967251977022, total energy = -16.316619824787054

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 3.0046496065415345 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316620
         Iterations: 81
         Function evaluations: 175
Results for this minimization:
  a = 2.4885501902444287, c = 2.1470967350852757, total energy = -16.316619824787075

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 3.162789059517405 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.561048
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 1.936636964068159, c = 3.1633377202841517, total energy = -11.561048028273524

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 3.3209285124932753 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316620
         Iterations: 82
         Function evaluations: 172
Results for this minimization:
  a = 2.4885502277949025, c = 2.1470967303025623, total energy = -16.316619824787093

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 3.4790679654691457 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.495172
         Iterations: 87
         Function evaluations: 196
Results for this minimization:
  a = 1.857022006093802, c = 3.904363664868841, total energy = -11.495171761645354

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 3.637207418445016 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.495172
         Iterations: 83
         Function evaluations: 192
Results for this minimization:
  a = 1.8570220108710358, c = 3.897125039399498, total energy = -11.495171761645356

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 3.7953468714208864 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.495172
         Iterations: 86
         Function evaluations: 200
Results for this minimization:
  a = 1.8570220071363672, c = 3.90285973533632, total energy = -11.495171761645357