Element = Lattice = Model = Element: H
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 2.2094299964607145 Angstroms
Computed isolated atomic energy of 0.0 eV for species H

==============================================================================
==============================================================================
 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: -149.150937
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 0.6029929457232353, total energy = -149.15093671605314

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: -149.150937
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 0.6029929503332812, total energy = -149.15093671605283

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: -149.150937
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 0.6029929453507066, total energy = -149.15093671605317

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: -149.150937
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 0.6029929503798475, total energy = -149.15093671605305

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: -149.150937
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 0.6029929429292658, total energy = -149.15093671605294

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: -149.150937
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 0.6029929484240693, total energy = -149.15093671605305

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: -149.150937
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 0.6029929503798479, total energy = -149.15093671605277

Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.1875 Angstroms and c = -0.30618621784789724 Angstroms; the model cutoff was estimated to be 2.2094299964607145 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.20000000000000195 Angstroms and c = -0.3265986323710936 Angstroms; the model cutoff was estimated to be 2.2094299964607145 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.2125000000000039 Angstroms and c = -0.34701104689428997 Angstroms; the model cutoff was estimated to be 2.2094299964607145 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.22500000000000586 Angstroms and c = -0.3674234614174863 Angstroms; the model cutoff was estimated to be 2.2094299964607145 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.5, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.625, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.75, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.875, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [0.60299295] Angstroms and c = 0.7877466851238257 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.150937
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 0.6029889444685351, c = 0.9846964435559011, total energy = -149.15093697298997

Attempting to perform relaxation using initial lattice constant guess of a = [0.60299295] Angstroms and c = 0.8369808529440649 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.150937
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 0.6029889357576779, c = 0.9846964578940218, total energy = -149.15093697299048

Attempting to perform relaxation using initial lattice constant guess of a = [0.60299295] Angstroms and c = 0.886215020764304 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.150937
         Iterations: 68
         Function evaluations: 137
Results for this minimization:
  a = 0.6029889382176099, c = 0.984696460453242, total energy = -149.15093697299028

Attempting to perform relaxation using initial lattice constant guess of a = [0.60299295] Angstroms and c = 0.9354491885845432 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.150937
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 0.6029889343053831, c = 0.9846964448034792, total energy = -149.15093697299025

Attempting to perform relaxation using initial lattice constant guess of a = [0.60299295] Angstroms and c = 0.9846833564047823 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.150937
         Iterations: 65
         Function evaluations: 137
Results for this minimization:
  a = 0.6029889388837315, c = 0.9846964502662192, total energy = -149.15093697298997

Attempting to perform relaxation using initial lattice constant guess of a = [0.60299295] Angstroms and c = 1.0339175242250214 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.150937
         Iterations: 69
         Function evaluations: 142
Results for this minimization:
  a = 0.6029889330017197, c = 0.9846964464148402, total energy = -149.15093697299042

Attempting to perform relaxation using initial lattice constant guess of a = [0.60299295] Angstroms and c = 1.0831516920452606 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.150937
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 0.6029889341612236, c = 0.9846964553005544, total energy = -149.15093697299005

Attempting to perform relaxation using initial lattice constant guess of a = [0.60299295] Angstroms and c = 1.1323858598654999 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.150937
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 0.6029889431155926, c = 0.9846964558454974, total energy = -149.15093697298997

Attempting to perform relaxation using initial lattice constant guess of a = [0.60299295] Angstroms and c = 1.181620027685739 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.150937
         Iterations: 67
         Function evaluations: 138
Results for this minimization:
  a = 0.6029889420871201, c = 0.9846964507217638, total energy = -149.1509369729902

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

 Final lattice Constants:
   a = 0.6029889357576779 Angstroms, c = 0.9846964578940218 Angstroms, c/a = 1.633026

 Total energy: -149.15093697299048 eV

 Cohesive energy: -37.28773424324762 eV/atom

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