Element = Lattice = Model = Element: C
Lattice: hcp
Model: EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
Computed model cutoff of 1.9742160940915765 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: -20.303529
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.0874263925477887, total energy = -20.303529301924495

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: 0.000000
         Iterations: 38
         Function evaluations: 108
Results for this minimization:
  a = 2.4187499999999997, total energy = 0.0

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: -20.303529
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.087426392128691, total energy = -20.30352930192451

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: -20.303529
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.0874263922567504, total energy = -20.303529301924467

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: -20.303529
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.08742639233824, total energy = -20.30352930192448

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: -20.303529
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.087426391569899, total energy = -20.303529301924467

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: -20.303529
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.0874263921286915, total energy = -20.30352930192447

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: -20.303529
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.087426392128691, total energy = -20.303529301924478

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: -20.303529
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 2.0874263921752574, total energy = -20.303529301924485

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: -20.303529
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.087426391476765, total energy = -20.303529301924453

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: -20.303529
         Iterations: 35
         Function evaluations: 71
Results for this minimization:
  a = 2.0874263924779366, total energy = -20.30352930192445

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 = [2.08742639] Angstroms and c = 2.7270024193782003 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.429715
         Iterations: 90
         Function evaluations: 183
Results for this minimization:
  a = 2.0263072283002943, c = 3.6002954543691015, total energy = -20.429714830431053

Attempting to perform relaxation using initial lattice constant guess of a = [2.08742639] Angstroms and c = 2.897440070589338 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.429715
         Iterations: 87
         Function evaluations: 180
Results for this minimization:
  a = 2.0263072154074453, c = 3.6002954961191236, total energy = -20.429714830431063

Attempting to perform relaxation using initial lattice constant guess of a = [2.08742639] Angstroms and c = 3.0678777218004756 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.429715
         Iterations: 83
         Function evaluations: 176
Results for this minimization:
  a = 2.0263072314065362, c = 3.600295444400822, total energy = -20.42971483043108

Attempting to perform relaxation using initial lattice constant guess of a = [2.08742639] Angstroms and c = 3.238315373011613 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.429715
         Iterations: 76
         Function evaluations: 170
Results for this minimization:
  a = 2.0263072306923453, c = 3.6002954481450384, total energy = -20.429714830431077

Attempting to perform relaxation using initial lattice constant guess of a = [2.08742639] Angstroms and c = 3.408753024222751 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.429715
         Iterations: 75
         Function evaluations: 163
Results for this minimization:
  a = 2.02630722276805, c = 3.6002954721214566, total energy = -20.429714830431088

Attempting to perform relaxation using initial lattice constant guess of a = [2.08742639] Angstroms and c = 3.5791906754338885 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.429715
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 2.02630721731854, c = 3.6002954894053216, total energy = -20.429714830431063

Attempting to perform relaxation using initial lattice constant guess of a = [2.08742639] Angstroms and c = 3.749628326645026 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.429715
         Iterations: 77
         Function evaluations: 161
Results for this minimization:
  a = 2.026307223380762, c = 3.600295467355927, total energy = -20.42971483043107

Attempting to perform relaxation using initial lattice constant guess of a = [2.08742639] Angstroms and c = 3.9200659778561637 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.429715
         Iterations: 91
         Function evaluations: 188
Results for this minimization:
  a = 2.0263072227872554, c = 3.600295468821017, total energy = -20.429714830431077

Attempting to perform relaxation using initial lattice constant guess of a = [2.08742639] Angstroms and c = 4.090503629067301 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.429715
         Iterations: 121
         Function evaluations: 251
Results for this minimization:
  a = 2.026307210781031, c = 3.600295511667174, total energy = -20.429714830431056