Element = Lattice = Model = Element: Si
Lattice: hcp
Model: MEAM_LAMMPS_DuLenoskyHennig_2011_Si__MO_883726743759_002
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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.25 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.25 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.25 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.25 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.25 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.25 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.25 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.25 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.25 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [2.7063919] Angstroms, c = [4.41951947] Angstroms, c/a = 1.632993

 Total energy: -16.54523775919832 eV

 Cohesive energy: -4.13630943979958 eV/atom

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