Element = Lattice = Model = Element: Ar
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 7.554819997400056 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ar

==============================================================================
==============================================================================
 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: -0.411454
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.061852768808606, total energy = -0.41145404064415336

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: -0.411454
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.0618527614511555, total energy = -0.41145404064414887

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: -0.411454
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.061852768994868, total energy = -0.41145404064414987

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: -0.411454
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.061852789903063, total energy = -0.4114540406441484

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: -0.411454
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.061852780729534, total energy = -0.41145404064414987

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: -0.411454
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.0618527640705007, total energy = -0.4114540406441484

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: -0.411454
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.0618527807295326, total energy = -0.41145404064414987

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: -0.411454
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.0618527913466096, total energy = -0.4114540406441482

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: -0.411454
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.0618527688086035, total energy = -0.41145404064415236

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: -0.411454
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.061852775746956, total energy = -0.41145404064414937

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: -0.411454
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.0618527807295317, total energy = -0.41145404064414975

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: -0.411454
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.0618527673650533, total energy = -0.4114540406441504

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: -0.411454
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.061852768994868, total energy = -0.41145404064414987

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: -0.411454
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.0618527807295317, total energy = -0.4114540406441497

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: -0.411454
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.061852765892399, total energy = -0.41145404064414814

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: -0.411454
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.0618527631508172, total energy = -0.4114540406441486

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: -0.411454
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.0618527807295304, total energy = -0.4114540406441493

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: -0.411454
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.061852784754592, total energy = -0.41145404064414837

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: -0.411454
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.061852763919157, total energy = -0.4114540406441485

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: -0.411454
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.0618527849204824, total energy = -0.41145404064414765

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: -0.411454
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.0618527807295317, total energy = -0.4114540406441498

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: -0.411454
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.061852778960017, total energy = -0.4114540406441483

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: -0.411454
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.0618527913466096, total energy = -0.4114540406441481

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: -0.411454
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.0618527734186447, total energy = -0.4114540406441501

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: -0.411454
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.0618527688086017, total energy = -0.4114540406441526

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: -0.411454
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.061852771142733, total energy = -0.4114540406441498

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: -0.411454
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.0618527757469525, total energy = -0.4114540406441492

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: -0.411454
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.0618527673650533, total energy = -0.41145404064415014

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: -0.411454
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.0618527807295264, total energy = -0.4114540406441491

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: -0.411454
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.061852748534873, total energy = -0.4114540406441479

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: -0.411454
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.0618527585174906, total energy = -0.4114540406441498

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: -0.411454
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.061852775875009, total energy = -0.41145404064415086

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: -0.411454
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.061852768994868, total energy = -0.41145404064414987

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: -0.411454
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.0618527807295264, total energy = -0.41145404064414903

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: -0.411454
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.06185278072953, total energy = -0.4114540406441494

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: -0.411454
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.0618527688086052, total energy = -0.41145404064415286

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: -0.411454
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.061852765828367, total energy = -0.41145404064414765

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: -0.411454
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.0618527687329333, total energy = -0.41145404064415025

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: -0.411454
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.0618527698446925, total energy = -0.411454040644149

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: -0.411454
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.0618527556303863, total energy = -0.41145404064414914

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.411454
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.0618527854792683, total energy = -0.41145404064414803

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.411454
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.061852772906418, total energy = -0.41145404064414853

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 7.554819997400056 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 7.554819997400056 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 7.554819997400056 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 7.554819997400056 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 7.554819997400056 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 7.554819997400056 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 7.554819997400056 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 7.554819997400056 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 7.554819997400056 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 7.554819997400056 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 = 7.5 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 = 7.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.75 Angstroms and c = -1.224744871391589 Angstroms; the model cutoff was estimated to be 7.554819997400056 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 = 7.625 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 = 7.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7624999999999922 Angstroms and c = -1.2451572859147695 Angstroms; the model cutoff was estimated to be 7.554819997400056 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 = [2.06185277] Angstroms and c = 2.6935931777737476 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.411454
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.061839054902274, c = 3.367036210698677, total energy = -0.41145404135294616

Attempting to perform relaxation using initial lattice constant guess of a = [2.06185277] Angstroms and c = 2.861942751384607 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.411454
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.0618390545239453, c = 3.367036204637115, total energy = -0.41145404135294694

Attempting to perform relaxation using initial lattice constant guess of a = [2.06185277] Angstroms and c = 3.0302923249954663 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.411454
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 2.061839058335078, c = 3.3670362054733074, total energy = -0.41145404135294633

Attempting to perform relaxation using initial lattice constant guess of a = [2.06185277] Angstroms and c = 3.1986418986063256 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.411454
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.0618390556856436, c = 3.367036290123732, total energy = -0.41145404135294855

Attempting to perform relaxation using initial lattice constant guess of a = [2.06185277] Angstroms and c = 3.366991472217185 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.411454
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.0618390592541065, c = 3.3670362724128786, total energy = -0.4114540413529483

Attempting to perform relaxation using initial lattice constant guess of a = [2.06185277] Angstroms and c = 3.5353410458280443 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.411454
         Iterations: 74
         Function evaluations: 150
Results for this minimization:
  a = 2.06183905392447, c = 3.3670362517010703, total energy = -0.4114540413529481

Attempting to perform relaxation using initial lattice constant guess of a = [2.06185277] Angstroms and c = 3.7036906194389037 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.411454
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.06183903889415, c = 3.3670362586189304, total energy = -0.4114540413529471

Attempting to perform relaxation using initial lattice constant guess of a = [2.06185277] Angstroms and c = 3.872040193049763 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.411454
         Iterations: 75
         Function evaluations: 155
Results for this minimization:
  a = 2.061839070315253, c = 3.3670362156169062, total energy = -0.41145404135294855

Attempting to perform relaxation using initial lattice constant guess of a = [2.06185277] Angstroms and c = 4.040389766660622 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.411454
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.0618390557051436, c = 3.367036281282397, total energy = -0.41145404135294766

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

 Final lattice Constants:
   a = 2.0618390556856436 Angstroms, c = 3.367036290123732 Angstroms, c/a = 1.633026

 Total energy: -0.41145404135294855 eV

 Cohesive energy: -0.10286351033823714 eV/atom

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