Element = Lattice = Model = Element: C
Lattice: hcp
Model: Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
Computed model cutoff of 2.09999999832366 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: -12.009373
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 1.939224448800089, total energy = -12.009372891478336

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: -12.009373
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 1.9392244527116418, total energy = -12.009372891478337

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: -12.009373
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.9392244514310732, total energy = -12.009372891478337

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: -12.009373
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 1.9392244508489989, total energy = -12.009372891478337

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: -12.009373
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 1.9392244511051118, total energy = -12.009372891478339

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: -12.009373
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 1.9392244508606384, total energy = -12.009372891478339

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: -12.009373
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 1.939224449917674, total energy = -12.009372891478336

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: -12.009373
         Iterations: 31
         Function evaluations: 65
Results for this minimization:
  a = 1.93922445026692, total energy = -12.009372891478337

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: -12.009373
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 1.9392244502902032, total energy = -12.009372891478336

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: -12.009373
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 1.939224450080655, total energy = -12.009372891478334

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.25, total energy = 0.0

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 = [1.93922445] Angstroms and c = 2.533392214366032 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.233209
         Iterations: 74
         Function evaluations: 152
Results for this minimization:
  a = 2.5525148208343493, c = 2.098764553098107, total energy = -17.23320905978957

Attempting to perform relaxation using initial lattice constant guess of a = [1.93922445] Angstroms and c = 2.691729227763909 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.233209
         Iterations: 78
         Function evaluations: 163
Results for this minimization:
  a = 2.5525148151390074, c = 2.098764557992658, total energy = -17.23320905978957

Attempting to perform relaxation using initial lattice constant guess of a = [1.93922445] Angstroms and c = 2.850066241161786 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.233209
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.552514809604773, c = 2.09876455413312, total energy = -17.233209059789576

Attempting to perform relaxation using initial lattice constant guess of a = [1.93922445] Angstroms and c = 3.008403254559663 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.233209
         Iterations: 78
         Function evaluations: 161
Results for this minimization:
  a = 2.552514811679048, c = 2.0987645531488144, total energy = -17.233209059789573

Attempting to perform relaxation using initial lattice constant guess of a = [1.93922445] Angstroms and c = 3.16674026795754 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130247
         Iterations: 84
         Function evaluations: 193
Results for this minimization:
  a = 1.8403851719591984, c = 3.7239212003645044, total energy = -14.130247335029816

Attempting to perform relaxation using initial lattice constant guess of a = [1.93922445] Angstroms and c = 3.325077281355417 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130247
         Iterations: 90
         Function evaluations: 202
Results for this minimization:
  a = 1.8403851701028588, c = 3.7743683820062537, total energy = -14.130247335029814

Attempting to perform relaxation using initial lattice constant guess of a = [1.93922445] Angstroms and c = 3.483414294753294 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130247
         Iterations: 80
         Function evaluations: 216
Results for this minimization:
  a = 1.840385168695182, c = 3.7572414801089256, total energy = -14.130247335029813

Attempting to perform relaxation using initial lattice constant guess of a = [1.93922445] Angstroms and c = 3.641751308151171 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130247
         Iterations: 78
         Function evaluations: 189
Results for this minimization:
  a = 1.8403851708524264, c = 3.9282314805791976, total energy = -14.130247335029816

Attempting to perform relaxation using initial lattice constant guess of a = [1.93922445] Angstroms and c = 3.800088321549048 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.130247
         Iterations: 78
         Function evaluations: 190
Results for this minimization:
  a = 1.8403851727573701, c = 3.783496078731181, total energy = -14.13024733502981