Element = Lattice = Model = Element: C
Lattice: hcp
Model: Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
Computed model cutoff of 2.099962699897628 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: -14.082239
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 1.921326988376678, total energy = -14.082239156232253

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: -14.082239
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 1.921326988935471, total energy = -14.08223915623225

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: -14.082239
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.9213269921019673, total energy = -14.082239156232243

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: -14.082239
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.9213269841857277, total energy = -14.08223915623224

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: -14.082239
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 1.9213269914500424, total energy = -14.082239156232255

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: -14.082239
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.9213269898435101, total energy = -14.082239156232253

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: -14.082239
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 1.9213269916828724, total energy = -14.082239156232278

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: -14.082239
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.9213269902102184, total energy = -14.082239156232246

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: -14.082239
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 1.92132698893547, total energy = -14.082239156232246

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: -14.082239
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 1.9213269912637765, total energy = -14.082239156232243

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 = [1.92132699] Angstroms and c = 2.51001107128515 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.804309
         Iterations: 81
         Function evaluations: 161
Results for this minimization:
  a = 2.450516435148687, c = 2.096454872231306, total energy = -21.80430941616697

Attempting to perform relaxation using initial lattice constant guess of a = [1.92132699] Angstroms and c = 2.666886763240472 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.804309
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.4505164714967043, c = 2.096454866623452, total energy = -21.804309416166923

Attempting to perform relaxation using initial lattice constant guess of a = [1.92132699] Angstroms and c = 2.823762455195794 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.804309
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 2.450516420542947, c = 2.0964548765132287, total energy = -21.804309416166944

Attempting to perform relaxation using initial lattice constant guess of a = [1.92132699] Angstroms and c = 2.9806381471511156 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.804309
         Iterations: 96
         Function evaluations: 196
Results for this minimization:
  a = 2.450516456718607, c = 2.096454872539342, total energy = -21.80430941616693

Attempting to perform relaxation using initial lattice constant guess of a = [1.92132699] Angstroms and c = 3.1375138391064374 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.082274
         Iterations: 75
         Function evaluations: 152
Results for this minimization:
  a = 1.9202213514395317, c = 3.141128677853307, total energy = -14.082273943710211

Attempting to perform relaxation using initial lattice constant guess of a = [1.92132699] Angstroms and c = 3.2943895310617592 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.804309
         Iterations: 84
         Function evaluations: 175
Results for this minimization:
  a = 2.450516458163368, c = 2.0964548642283294, total energy = -21.804309416166937

Attempting to perform relaxation using initial lattice constant guess of a = [1.92132699] Angstroms and c = 3.451265223017081 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.804309
         Iterations: 88
         Function evaluations: 181
Results for this minimization:
  a = 2.4505164263404713, c = 2.096454872294693, total energy = -21.804309416166966

Attempting to perform relaxation using initial lattice constant guess of a = [1.92132699] Angstroms and c = 3.608140914972403 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.816103
         Iterations: 85
         Function evaluations: 203
Results for this minimization:
  a = 1.847436049198074, c = 4.253979260526465, total energy = -12.816103187680792

Attempting to perform relaxation using initial lattice constant guess of a = [1.92132699] Angstroms and c = 3.7650166069277247 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.804309
         Iterations: 158
         Function evaluations: 307
Results for this minimization:
  a = 2.4505164239418544, c = 2.096454877564478, total energy = -21.80430941616695