Element = Lattice = Model = Element: Si
Lattice: hcp
Model: MEAM_LAMMPS_DuLenoskyHennig_2011_Si__MO_883726743759_000
Computed model cutoff of 5.239999906048195 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: -16.545238
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.7063919037580524, total energy = -16.545237759198294

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: -16.545238
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.7063919060863553, total energy = -16.545237759198297

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: -16.545238
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.70639190915972, total energy = -16.545237759198287

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: -16.545238
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.7063919092528583, total energy = -16.545237759198276

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: -16.545238
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.7063919027335968, total energy = -16.545237759198283

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: -16.545238
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.70639190329239, total energy = -16.54523775919832

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: -16.545238
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.7063919044099753, total energy = -16.545237759198297

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: -16.545238
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.706391900079325, total energy = -16.54523775919829

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: -16.545238
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7063919037580515, total energy = -16.54523775919829

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: -16.545238
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.70639190208749, total energy = -16.545237759198297

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: -16.545238
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.7063919060863553, total energy = -16.5452377591983

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: -16.545238
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7063918988220395, total energy = -16.5452377591983

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: -16.545238
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.70639190915972, total energy = -16.545237759198283

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: -16.545238
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.706391904409975, total energy = -16.545237759198294

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: -16.545238
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.706391909124795, total energy = -16.54523775919828

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: -16.545238
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.706391897494904, total energy = -16.545237759198294

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: -16.545238
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7063919049687675, total energy = -16.545237759198294

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: -16.545238
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7063919027568772, total energy = -16.545237759198297

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: -16.545238
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7063919032923875, total energy = -16.54523775919831

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: -16.545238
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7063919060863553, total energy = -16.545237759198297

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: -16.545238
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.7063919040840103, total energy = -16.5452377591983

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: -0.382521
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.001559728384018, total energy = -0.3825207674972193

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: -0.382521
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 4.0015597231686115, total energy = -0.3825207674972193

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: -0.382521
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 4.0015597231686115, total energy = -0.3825207674972193

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: -0.382521
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 4.001559722423553, total energy = -0.3825207674972193

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: -0.382521
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.001559728756547, total energy = -0.3825207674972193

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: -0.382521
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.001559729874134, total energy = -0.3825207674972193

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: -0.382521
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 4.001559728756547, total energy = -0.3825207674972193

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: -0.382521
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 4.001559720933436, total energy = -0.3825207674972193

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: -0.036815
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.790236087329687, total energy = -0.03681474765147

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: -0.382521
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 4.001559720933436, total energy = -0.3825207674972193

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: -0.036815
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.790236088074744, total energy = -0.03681474765147

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.382521
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.001559719443321, total energy = -0.3825207674972193

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.036815
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.7902360879816115, total energy = -0.03681474765147

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.382521
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.001559720933436, total energy = -0.3825207674972193

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.7063919] Angstroms and c = 3.5356155771019484 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.623526
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.8260901082243257, c = 3.9990413567221674, total energy = -16.623525708599853

Attempting to perform relaxation using initial lattice constant guess of a = [2.7063919] Angstroms and c = 3.7565915506708203 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.623526
         Iterations: 65
         Function evaluations: 144
Results for this minimization:
  a = 2.82609007689752, c = 3.9990414275674455, total energy = -16.623525708599846

Attempting to perform relaxation using initial lattice constant guess of a = [2.7063919] Angstroms and c = 3.977567524239692 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.623526
         Iterations: 69
         Function evaluations: 140
Results for this minimization:
  a = 2.826090092329192, c = 3.9990414011678848, total energy = -16.62352570859986

Attempting to perform relaxation using initial lattice constant guess of a = [2.7063919] Angstroms and c = 4.198543497808564 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.623526
         Iterations: 71
         Function evaluations: 157
Results for this minimization:
  a = 2.8260900909109044, c = 3.999041392454407, total energy = -16.623525708599857

Attempting to perform relaxation using initial lattice constant guess of a = [2.7063919] Angstroms and c = 4.419519471377436 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.623526
         Iterations: 72
         Function evaluations: 160
Results for this minimization:
  a = 2.826090098188696, c = 3.9990413512434424, total energy = -16.623525708599846

Attempting to perform relaxation using initial lattice constant guess of a = [2.7063919] Angstroms and c = 4.640495444946308 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.623526
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.8260900779476135, c = 3.9990414517941475, total energy = -16.623525708599857

Attempting to perform relaxation using initial lattice constant guess of a = [2.7063919] Angstroms and c = 4.86147141851518 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.623526
         Iterations: 83
         Function evaluations: 174
Results for this minimization:
  a = 2.8260901145910537, c = 3.9990413086191174, total energy = -16.623525708599846

Attempting to perform relaxation using initial lattice constant guess of a = [2.7063919] Angstroms and c = 5.082447392084052 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.623526
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.8260901084998116, c = 3.9990413277277854, total energy = -16.623525708599846

Attempting to perform relaxation using initial lattice constant guess of a = [2.7063919] Angstroms and c = 5.3034233656529235 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.623526
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 2.8260900903724586, c = 3.9990413816844486, total energy = -16.623525708599853

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

 Final lattice Constants:
   a = 2.826090092329192 Angstroms, c = 3.9990414011678848 Angstroms, c/a = 1.415044

 Total energy: -16.62352570859986 eV

 Cohesive energy: -4.155881427149965 eV/atom

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