Element = Lattice = Model = Element: Si
Lattice: hcp
Model: Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000
Computed model cutoff of 4.79999999620023 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: -16.371212
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.793269421160225, total energy = -16.371211948101404

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: -16.371212
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.793269419617718, total energy = -16.371211948101408

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: -16.371212
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.7932694089831784, total energy = -16.37121194810141

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: -16.371212
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.793269411358057, total energy = -16.37121194810141

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: -16.371212
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.793269418552521, total energy = -16.371211948101404

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: -16.371212
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.793269420118305, total energy = -16.37121194810142

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: -16.371212
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.793269414361567, total energy = -16.371211948101404

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: -16.371212
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.793269433255773, total energy = -16.3712119481014

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: -16.371212
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.793269419670107, total energy = -16.371211948101408

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: -16.371212
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.793269418925048, total energy = -16.371211948101397

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: -16.371212
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.793269417155535, total energy = -16.371211948101404

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: -16.371212
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7932694027549587, total energy = -16.3712119481014

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: -16.371212
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.793269410962239, total energy = -16.371211948101408

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: -16.371212
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7932693908922377, total energy = -16.37121194810139

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: -16.371212
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.79326942032203, total energy = -16.371211948101408

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: -16.371212
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.7932693964394275, total energy = -16.3712119481014

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: -16.371212
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.793269411288201, total energy = -16.3712119481014

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: -16.371212
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.793269413523376, total energy = -16.371211948101404

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: -16.371212
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7932694345712665, total energy = -16.371211948101376

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: -16.371212
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.793269410711945, total energy = -16.371211948101397

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: -16.371212
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7932694119168433, total energy = -16.371211948101397

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: -16.371212
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.79326942116022, total energy = -16.371211948101397

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: -16.371212
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.793269421730656, total energy = -16.371211948101383

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: -16.371212
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7932694138027694, total energy = -16.371211948101386

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: -16.371212
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7932694226503365, total energy = -16.371211948101408

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: -16.371212
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.7932694136630762, total energy = -16.37121194810138

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: -16.371212
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7932694173417962, total energy = -16.37121194810141

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: -16.371212
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7932694309856743, total energy = -16.371211948101394

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: -16.371212
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.79326942019397, total energy = -16.37121194810139

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: -16.371212
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7932694154675097, total energy = -16.371211948101394

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7932694450020814, total energy = -16.371211948101386

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.371212
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.793269407935438, total energy = -16.371211948101397

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.79326942] Angstroms and c = 3.649111889818509 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.799449925386517, c = 4.540830289621935, total energy = -16.373226873822553

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326942] Angstroms and c = 3.8771813829321657 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.799449941014159, c = 4.540830308137659, total energy = -16.37322687382255

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326942] Angstroms and c = 4.105250876045822 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.799449939625438, c = 4.540830288082033, total energy = -16.37322687382258

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326942] Angstroms and c = 4.333320369159479 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.799449912363456, c = 4.540830279537525, total energy = -16.373226873822578

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326942] Angstroms and c = 4.561389862273136 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.7994499844828162, c = 4.540830269651501, total energy = -16.37322687382255

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326942] Angstroms and c = 4.789459355386793 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 64
         Function evaluations: 139
Results for this minimization:
  a = 2.799449929867839, c = 4.540830273814102, total energy = -16.37322687382259

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326942] Angstroms and c = 5.017528848500449 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.799449921439872, c = 4.540830305883718, total energy = -16.37322687382258

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326942] Angstroms and c = 5.245598341614105 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.7994499216679762, c = 4.540830335573256, total energy = -16.373226873822578

Attempting to perform relaxation using initial lattice constant guess of a = [2.79326942] Angstroms and c = 5.473667834727762 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.373227
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.7994499380342406, c = 4.540830331044007, total energy = -16.373226873822592

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

 Final lattice Constants:
   a = 2.7994499380342406 Angstroms, c = 4.540830331044007 Angstroms, c/a = 1.622044

 Total energy: -16.373226873822592 eV

 Cohesive energy: -4.093306718455648 eV/atom

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