Element = Lattice = Model = Element: Si
Lattice: hcp
Model: ThreeBodyCluster_SRS_StephensonRadnySmith_1996_Si__MO_604248666067_000
Computed model cutoff of 3.728576330840593 Angstroms
Computed isolated atomic energy of 0.0 eV for species Si

==============================================================================
==============================================================================
 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: -9.393023
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.1060229603201193, total energy = -9.393023076451339

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: -9.393023
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.1060229565482578, total energy = -9.393023076451344

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: -9.393023
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.106022954452783, total energy = -9.393023076451334

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: -9.393023
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1060229586437416, total energy = -9.393023076451342

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: -9.393023
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.106022954732184, total energy = -9.393023076451335

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: -9.393023
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1060229520779123, total energy = -9.393023076451335

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: -9.393023
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.106022962601856, total energy = -9.393023076451339

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: -9.393023
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.1060229575959966, total energy = -9.393023076451335

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: -9.393023
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.1060229569673563, total energy = -9.393023076451334

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: -9.393023
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1060229579219607, total energy = -9.393023076451334

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: -9.393023
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.106022954871878, total energy = -9.393023076451334

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: -9.393023
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1060229561524455, total energy = -9.39302307645134

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: -9.393023
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.106022959575057, total energy = -9.393023076451335

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: -9.393023
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.1060229603201157, total energy = -9.393023076451337

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: -9.393023
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.1060229586437353, total energy = -9.393023076451342

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: -9.393023
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.10602296339348, total energy = -9.393023076451334

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: -9.393023
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.106022958084942, total energy = -9.393023076451337

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: -9.393023
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.106022957508685, total energy = -9.39302307645134

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: -9.393023
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.10602295253193, total energy = -9.393023076451334

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: -9.393023
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.1060229534574324, total energy = -9.393023076451332

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: -9.393023
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.106022962927818, total energy = -9.393023076451339

Attempting to perform relaxation using initial lattice constant guess of a = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -9.393023
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.1060229649767264, total energy = -9.393023076451339

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -9.393023
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.106022962660063, total energy = -9.393023076451332

==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [3.10602296] Angstroms and c = 4.057691398887488 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.169139
         Iterations: 79
         Function evaluations: 157
Results for this minimization:
  a = 3.5998630080801637, c = 3.5381856262370848, total energy = -18.169138927796023

Attempting to perform relaxation using initial lattice constant guess of a = [3.10602296] Angstroms and c = 4.3112971113179555 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.169139
         Iterations: 75
         Function evaluations: 150
Results for this minimization:
  a = 3.5998630105284857, c = 3.538185611981953, total energy = -18.169138927796034

Attempting to perform relaxation using initial lattice constant guess of a = [3.10602296] Angstroms and c = 4.564902823748423 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.169139
         Iterations: 81
         Function evaluations: 163
Results for this minimization:
  a = 3.5998630136568313, c = 3.538185610662587, total energy = -18.16913892779602

Attempting to perform relaxation using initial lattice constant guess of a = [3.10602296] Angstroms and c = 4.818508536178891 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.169139
         Iterations: 79
         Function evaluations: 164
Results for this minimization:
  a = 3.5998630120445085, c = 3.5381856115911807, total energy = -18.169138927796023

Attempting to perform relaxation using initial lattice constant guess of a = [3.10602296] Angstroms and c = 5.072114248609359 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.617806
         Iterations: 96
         Function evaluations: 218
Results for this minimization:
  a = 2.71735366098304, c = 6.7962742559524525, total energy = -13.617805784449926

Attempting to perform relaxation using initial lattice constant guess of a = [3.10602296] Angstroms and c = 5.325719961039827 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.617806
         Iterations: 95
         Function evaluations: 219
Results for this minimization:
  a = 2.7173536528750546, c = 6.990252855095646, total energy = -13.617805784449924

Attempting to perform relaxation using initial lattice constant guess of a = [3.10602296] Angstroms and c = 5.5793256734702945 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.617806
         Iterations: 92
         Function evaluations: 213
Results for this minimization:
  a = 2.717353658168632, c = 6.982151207800258, total energy = -13.617805784449926

Attempting to perform relaxation using initial lattice constant guess of a = [3.10602296] Angstroms and c = 5.832931385900762 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.617806
         Iterations: 91
         Function evaluations: 209
Results for this minimization:
  a = 2.7173536642935763, c = 6.808696261762666, total energy = -13.617805784449923

Attempting to perform relaxation using initial lattice constant guess of a = [3.10602296] Angstroms and c = 6.08653709833123 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.617806
         Iterations: 76
         Function evaluations: 174
Results for this minimization:
  a = 2.717353657876943, c = 6.879769059310075, total energy = -13.617805784449924

==============================================================================
==============================================================================
 Finished with optimization
==============================================================================
==============================================================================

 Final lattice Constants:
   a = 3.5998630105284857 Angstroms, c = 3.538185611981953 Angstroms, c/a = 0.982867

 Total energy: -18.169138927796034 eV

 Cohesive energy: -4.5422847319490085 eV/atom

==============================================================================
==============================================================================