Element = Lattice = Model = Element: C
Lattice: hcp
Model: Sim_LAMMPS_EDIP_JiangMorganSzlufarska_2012_SiC__SM_435704953434_000
Computed model cutoff of 2.198491069600024 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: -6.043220
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.054383276309821, total energy = -6.043220380536429

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: -6.043220
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.0543832759023646, total energy = -6.043220380536434

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: -6.043220
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.0543832775438204, total energy = -6.043220380536427

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: -6.043220
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.054383275867443, total energy = -6.043220380536426

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: -6.043220
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.054383277543822, total energy = -6.043220380536428

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: -6.043220
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.054383276309819, total energy = -6.043220380536429

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: -6.043220
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.0543832761468366, total energy = -6.04322038053643

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: -6.043220
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.0543832756229676, total energy = -6.0432203805364235

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: -6.043220
         Iterations: 31
         Function evaluations: 66
Results for this minimization:
  a = 2.0543832750059665, total energy = -6.043220380536427

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: -6.043220
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.054383276682347, total energy = -6.043220380536431

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: -6.043220
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.0543832751689477, total energy = -6.0432203805364235

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 = [2.05438328] Angstroms and c = 2.6838350731030114 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.560327
         Iterations: 82
         Function evaluations: 167
Results for this minimization:
  a = 2.3749756230580896, c = 2.186334185754142, total energy = -14.560326603627257

Attempting to perform relaxation using initial lattice constant guess of a = [2.05438328] Angstroms and c = 2.8515747651719496 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.560327
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.3749756127957222, c = 2.186334187876618, total energy = -14.560326603627258

Attempting to perform relaxation using initial lattice constant guess of a = [2.05438328] Angstroms and c = 3.019314457240888 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.560327
         Iterations: 83
         Function evaluations: 164
Results for this minimization:
  a = 2.37497562142451, c = 2.186334176537748, total energy = -14.560326603627257

Attempting to perform relaxation using initial lattice constant guess of a = [2.05438328] Angstroms and c = 3.187054149309826 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.560327
         Iterations: 79
         Function evaluations: 166
Results for this minimization:
  a = 2.374975597756057, c = 2.186334186830627, total energy = -14.560326603627253

Attempting to perform relaxation using initial lattice constant guess of a = [2.05438328] Angstroms and c = 3.3547938413787644 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.407317
         Iterations: 79
         Function evaluations: 183
Results for this minimization:
  a = 1.8282114666103282, c = 3.873568136795427, total energy = -13.407316826640175

Attempting to perform relaxation using initial lattice constant guess of a = [2.05438328] Angstroms and c = 3.5225335334477026 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.407317
         Iterations: 81
         Function evaluations: 181
Results for this minimization:
  a = 1.8282114629949806, c = 4.005919433276136, total energy = -13.407316826640177

Attempting to perform relaxation using initial lattice constant guess of a = [2.05438328] Angstroms and c = 3.690273225516641 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.407317
         Iterations: 88
         Function evaluations: 204
Results for this minimization:
  a = 1.8282114634802282, c = 4.03182141068781, total energy = -13.407316826640178

Attempting to perform relaxation using initial lattice constant guess of a = [2.05438328] Angstroms and c = 3.858012917585579 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.407317
         Iterations: 86
         Function evaluations: 208
Results for this minimization:
  a = 1.8282114711237338, c = 4.74553395831598, total energy = -13.407316826640173

Attempting to perform relaxation using initial lattice constant guess of a = [2.05438328] Angstroms and c = 4.025752609654518 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.407317
         Iterations: 81
         Function evaluations: 197
Results for this minimization:
  a = 1.8282114588442768, c = 4.201001176328804, total energy = -13.407316826640175