Element = Lattice = Model = Element: Cl
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 7.269729995876567 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cl

==============================================================================
==============================================================================
 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: -149.330476
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 1.9840383529663108, total energy = -149.33047570532355

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: -149.330476
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 1.9840383562725041, total energy = -149.3304757053236

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: -149.330476
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 1.9840383678674698, total energy = -149.33047570532366

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: -149.330476
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 1.9840383564354878, total energy = -149.33047570532398

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: -149.330476
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 1.984038366749884, total energy = -149.33047570532395

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: -149.330476
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 1.9840383506263608, total energy = -149.33047570532352

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: -149.330476
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 1.9840383556671437, total energy = -149.33047570532347

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: -149.330476
         Iterations: 31
         Function evaluations: 66
Results for this minimization:
  a = 1.9840383678674698, total energy = -149.33047570532366

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: -149.330476
         Iterations: 31
         Function evaluations: 66
Results for this minimization:
  a = 1.984038352780044, total energy = -149.33047570532335

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: -149.330476
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 1.9840383464470506, total energy = -149.3304757053242

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: -149.330476
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 1.9840383566915984, total energy = -149.33047570532358

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: -149.330476
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 1.9840383441653109, total energy = -149.3304757053239

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: -149.330476
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 1.9840383678674698, total energy = -149.33047570532372

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: -149.330476
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 1.9840383393689986, total energy = -149.33047570532347

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: -149.330476
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 1.9840383564354842, total energy = -149.33047570532386

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: -149.330476
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.9840383617905886, total energy = -149.33047570532392

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: -149.330476
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 1.9840383667498804, total energy = -149.33047570532375

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: -149.330476
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 1.9840383535483852, total energy = -149.33047570532364

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: -149.330476
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 1.9840383495669793, total energy = -149.33047570532366

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: -149.330476
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 1.984038342023267, total energy = -149.33047570532344

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: -149.330476
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 1.9840383543632911, total energy = -149.33047570532347

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: -149.330476
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 1.9840383371803878, total energy = -149.33047570532352

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: -149.330476
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 1.9840383678674698, total energy = -149.33047570532372

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: -149.330476
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 1.9840383511967907, total energy = -149.33047570532347

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: -149.330476
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 1.9840383529663068, total energy = -149.3304757053236

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: -149.330476
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 1.9840383536182367, total energy = -149.33047570532372

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: -149.330476
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 1.984038346447047, total energy = -149.33047570532403

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: -149.330476
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 1.9840383535483852, total energy = -149.33047570532364

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: -149.330476
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 1.9840383566915931, total energy = -149.33047570532352

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: -149.330476
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 1.9840383628776164, total energy = -149.33047570532395

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: -149.330476
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 1.9840383441653127, total energy = -149.33047570532398

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: -149.330476
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 1.984038335492364, total energy = -149.3304757053235

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: -149.330476
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 1.9840383678674698, total energy = -149.33047570532375

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: -149.330476
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 1.9840383464470441, total energy = -149.3304757053238

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: -149.330476
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 1.9840383393689969, total energy = -149.33047570532347

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 1.984038335022344, total energy = -149.33047570532318

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 1.9840383564354807, total energy = -149.33047570532386

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 1.9840383587870747, total energy = -149.33047570532375

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 1.9840383714297716, total energy = -149.3304757053234

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 1.9840383438146065, total energy = -149.3304757053236

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 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 = 6.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6000000000000156 Angstroms and c = -0.9797958971132967 Angstroms; the model cutoff was estimated to be 7.269729995876567 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 = 6.125 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 = 6.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6125000000000078 Angstroms and c = -1.000208311636477 Angstroms; the model cutoff was estimated to be 7.269729995876567 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 = 6.25 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 = 6.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.625 Angstroms and c = -1.0206207261596576 Angstroms; the model cutoff was estimated to be 7.269729995876567 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 = 6.375 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 = 6.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6375000000000028 Angstroms and c = -1.0410331406828552 Angstroms; the model cutoff was estimated to be 7.269729995876567 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 = 6.5 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 = 6.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6500000000000128 Angstroms and c = -1.0614455552060647 Angstroms; the model cutoff was estimated to be 7.269729995876567 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 = 6.625 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 = 6.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6625000000000156 Angstroms and c = -1.0818579697292625 Angstroms; the model cutoff was estimated to be 7.269729995876567 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 = 6.75 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 = 6.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6750000000000078 Angstroms and c = -1.1022703842524428 Angstroms; the model cutoff was estimated to be 7.269729995876567 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 = 6.875 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 = 6.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6875 Angstroms and c = -1.1226827987756234 Angstroms; the model cutoff was estimated to be 7.269729995876567 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 = 7.0 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 = 7.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7000000000000028 Angstroms and c = -1.143095213298821 Angstroms; the model cutoff was estimated to be 7.269729995876567 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 = 7.125 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 = 7.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7125000000000128 Angstroms and c = -1.1635076278220304 Angstroms; the model cutoff was estimated to be 7.269729995876567 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 = 7.25 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 = 7.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7250000000000156 Angstroms and c = -1.1839200423452283 Angstroms; the model cutoff was estimated to be 7.269729995876567 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 = 7.375 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 = 7.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7375000000000078 Angstroms and c = -1.2043324568684086 Angstroms; the model cutoff was estimated to be 7.269729995876567 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...


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


Attempting to perform relaxation using initial lattice constant guess of a = [1.98403835] Angstroms and c = 2.5919368420856257 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 70
         Function evaluations: 158
Results for this minimization:
  a = 1.9840251555174082, c = 3.239964138596778, total energy = -149.33047596257023

Attempting to perform relaxation using initial lattice constant guess of a = [1.98403835] Angstroms and c = 2.753932894715977 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 1.9840251731909613, c = 3.2399641305774014, total energy = -149.33047596256992

Attempting to perform relaxation using initial lattice constant guess of a = [1.98403835] Angstroms and c = 2.9159289473463286 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 76
         Function evaluations: 154
Results for this minimization:
  a = 1.9840251532983464, c = 3.2399641131972476, total energy = -149.33047596256984

Attempting to perform relaxation using initial lattice constant guess of a = [1.98403835] Angstroms and c = 3.07792499997668 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 66
         Function evaluations: 148
Results for this minimization:
  a = 1.9840251620125344, c = 3.23996409342591, total energy = -149.3304759625699

Attempting to perform relaxation using initial lattice constant guess of a = [1.98403835] Angstroms and c = 3.2399210526070314 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 65
         Function evaluations: 138
Results for this minimization:
  a = 1.984025146129254, c = 3.2399642038431784, total energy = -149.33047596257003

Attempting to perform relaxation using initial lattice constant guess of a = [1.98403835] Angstroms and c = 3.401917105237383 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 1.9840251447414623, c = 3.2399641581747844, total energy = -149.33047596257023

Attempting to perform relaxation using initial lattice constant guess of a = [1.98403835] Angstroms and c = 3.5639131578677343 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 1.9840251593984908, c = 3.2399641335211826, total energy = -149.33047596257003

Attempting to perform relaxation using initial lattice constant guess of a = [1.98403835] Angstroms and c = 3.7259092104980858 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 1.9840251545413037, c = 3.239964156612628, total energy = -149.33047596257063

Attempting to perform relaxation using initial lattice constant guess of a = [1.98403835] Angstroms and c = 3.887905263128437 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.330476
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 1.9840251613384878, c = 3.2399641872791194, total energy = -149.33047596257023

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

 Final lattice Constants:
   a = 1.9840251545413037 Angstroms, c = 3.239964156612628 Angstroms, c/a = 1.633026

 Total energy: -149.33047596257063 eV

 Cohesive energy: -37.33261899064266 eV/atom

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