Element = Lattice = Model = Element: Si
Lattice: hcp
Model: MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_000
Computed model cutoff of 4.5000000042096095 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: -16.273378
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.814517520368103, total energy = -16.273377893439864

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: -16.273378
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8145175104727964, total energy = -16.273377893439868

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: -16.273378
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8145175110548735, total energy = -16.273377893439864

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: -16.273378
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8145175181329307, total energy = -16.273377893439864

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: -16.273378
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.814517521578822, total energy = -16.273377893439875

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: -16.273378
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8145175167359433, total energy = -16.27337789343987

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: -16.273378
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.814517503604293, total energy = -16.273377893439864

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: -16.273378
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.8145175122190267, total energy = -16.27337789343987

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: -16.273378
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.814517498016359, total energy = -16.273377893439868

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: -16.273378
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.814517511427404, total energy = -16.27337789343987

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: -16.273378
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.814517531218007, total energy = -16.273377893439875

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: -16.273378
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8145175235578788, total energy = -16.27337789343987

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: -16.273378
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.814517505466938, total energy = -16.273377893439875

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: -16.273378
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8145175140351055, total energy = -16.273377893439875

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: -16.273378
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.81451751915738, total energy = -16.273377893439875

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: -16.273378
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.814517508866265, total energy = -16.273377893439868

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: -16.273378
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.814517512917518, total energy = -16.27337789343988

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: -16.273378
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8145175153622404, total energy = -16.27337789343987

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: -16.273378
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8145175100769837, total energy = -16.273377893439886

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: -16.273378
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.814517522836103, total energy = -16.27337789343987

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: -16.273378
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8145175109384573, total energy = -16.27337789343988

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: -16.273378
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8145174987614148, total energy = -16.273377893439854

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: -16.273378
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8145175226964056, total energy = -16.27337789343987

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.273378
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8145175226964025, total energy = -16.273377893439882

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.273378
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8145175091922274, total energy = -16.273377893439882

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.273378
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8145175278652466, total energy = -16.27337789343987

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.273378
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8145175050944067, total energy = -16.273377893439868

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.273378
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8145175101744826, total energy = -16.273377893439868

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.273378
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8145175173878627, total energy = -16.27337789343987

Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.273378
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.814517507387789, total energy = -16.27337789343988

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.81451751] Angstroms and c = 3.6768702783025184 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.594652
         Iterations: 63
         Function evaluations: 138
Results for this minimization:
  a = 3.063713951701529, c = 3.933875127931073, total energy = -16.59465237748608

Attempting to perform relaxation using initial lattice constant guess of a = [2.81451751] Angstroms and c = 3.9066746706964257 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.594652
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 3.063713946252793, c = 3.933875122538359, total energy = -16.59465237748609

Attempting to perform relaxation using initial lattice constant guess of a = [2.81451751] Angstroms and c = 4.1364790630903325 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.273680
         Iterations: 69
         Function evaluations: 143
Results for this minimization:
  a = 2.8168163841838196, c = 4.5884491768504105, total energy = -16.27367972284527

Attempting to perform relaxation using initial lattice constant guess of a = [2.81451751] Angstroms and c = 4.36628345548424 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.273680
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.8168163817540313, c = 4.588449224638602, total energy = -16.27367972284527

Attempting to perform relaxation using initial lattice constant guess of a = [2.81451751] Angstroms and c = 4.596087847878147 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.273680
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.8168163916893985, c = 4.588449177485835, total energy = -16.273679722845284

Attempting to perform relaxation using initial lattice constant guess of a = [2.81451751] Angstroms and c = 4.825892240272054 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.273680
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 2.8168163858332007, c = 4.588449176527351, total energy = -16.27367972284528

Attempting to perform relaxation using initial lattice constant guess of a = [2.81451751] Angstroms and c = 5.055696632665962 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.273680
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.816816370340733, c = 4.588449237853199, total energy = -16.273679722845262

Attempting to perform relaxation using initial lattice constant guess of a = [2.81451751] Angstroms and c = 5.285501025059869 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.594652
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 3.0637139477548843, c = 3.9338751355334174, total energy = -16.594652377486085

Attempting to perform relaxation using initial lattice constant guess of a = [2.81451751] Angstroms and c = 5.515305417453776 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.273680
         Iterations: 84
         Function evaluations: 178
Results for this minimization:
  a = 2.816816395574258, c = 4.588449202810299, total energy = -16.273679722845273

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

 Final lattice Constants:
   a = 3.063713946252793 Angstroms, c = 3.933875122538359 Angstroms, c/a = 1.284022

 Total energy: -16.59465237748609 eV

 Cohesive energy: -4.148663094371522 eV/atom

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