Element = Lattice = Model = Element: C
Lattice: hcp
Model: hNN_WenTadmor_2019Grx_C__MO_421038499185_001
Computed model cutoff of 9.999874085187912 Angstroms
Computed isolated atomic energy of -1.294143848590232 eV for species C

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.95 Angstroms and c = 1.5513435037626795 Angstroms; the model cutoff was estimated to be 9.999874085187912 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 = 1.125 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 = 1.125 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.8999999999999995 Angstroms and c = 1.469693845669906 Angstroms; the model cutoff was estimated to be 9.999874085187912 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 = 1.25 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 = 1.25 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.875 Angstroms and c = 1.4288690166235205 Angstroms; the model cutoff was estimated to be 9.999874085187912 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 = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -10.070989
         Iterations: 31
         Function evaluations: 69
Results for this minimization:
  a = 1.459526473795995, total energy = -10.070988548494444

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: -18.486390
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 1.9254426419734965, total energy = -18.48638955414837

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: -18.486390
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 1.9254426114261154, total energy = -18.486389554148506

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: -18.486390
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 1.9254426106810572, total energy = -18.486389554148737

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: -18.486390
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 1.9254426268162206, total energy = -18.486389554148513

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: -18.486390
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 1.925442604534328, total energy = -18.486389554148616

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: -18.486390
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 1.9254426470026371, total energy = -18.486389554148424

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: -18.486390
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 1.9254426106810563, total energy = -18.486389554148708

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: -18.486390
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 1.925442612648476, total energy = -18.48638955414857

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: -18.486390
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 1.925442636013031, total energy = -18.486389554148356

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: -18.486390
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 1.9254426106810567, total energy = -18.48638955414871

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: -18.486390
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 1.9254426034167398, total energy = -18.486389554148726

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: -18.486390
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 1.9254426266998037, total energy = -18.486389554148513

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: -18.486390
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.925442627165464, total energy = -18.486389554148477

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: -0.033141
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 4.841895718127489, total energy = -0.03314073090783687

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: -0.033141
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.841895857825877, total energy = -0.03314073090783598

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: -0.033141
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.841895807813857, total energy = -0.03314073090783953

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: -0.033141
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 4.84189578286605, total energy = -0.03314073090785108

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: -0.033141
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.841895699396267, total energy = -0.03314073090783154

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: -0.033141
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.841895857825875, total energy = -0.03314073090783687

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: -0.033141
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.841895719978492, total energy = -0.03314073090782799

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: -0.033141
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.841895961947741, total energy = -0.03314073090784575

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: -0.033141
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.84189580529928, total energy = -0.03314073090783243

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: -0.033141
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.841895961365664, total energy = -0.03314073090784131

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: -0.033141
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 4.841895698787994, total energy = -0.03314073090783243

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: -0.033141
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.841895872040187, total energy = -0.03314073090783509

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: -0.033141
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.841895841492807, total energy = -0.03314073090783065

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: -0.033141
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.841895982064307, total energy = -0.033140730907838645

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: -0.033141
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.8418959595263, total energy = -0.0331407309078422

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: -0.033141
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 4.841896072030067, total energy = -0.03314073090783154

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: -0.033141
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 4.841895978865796, total energy = -0.03314073090784575

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: -0.033141
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.841895778913749, total energy = -0.03314073090784042

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: -0.033141
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.841895911959002, total energy = -0.03314073090783953

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: -0.033141
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.841895961272529, total energy = -0.033140730907843974

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: -0.033141
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.841895901481621, total energy = -0.03314073090784131

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: -0.033141
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.841895961828411, total energy = -0.033140730907843086

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: -0.033141
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 4.841895689070223, total energy = -0.03314073090782976

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: -0.033141
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.841895969584582, total energy = -0.033140730907843974

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: -0.033141
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.841895959945396, total energy = -0.03314073090784486

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 4.841895718127489, total energy = -0.03314073090783687

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.8418959605740355, total energy = -0.0331407309078422

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.8418958578258735, total energy = -0.03314073090783509

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.841895778710018, total energy = -0.033140730907838645

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.84189580781385, total energy = -0.03314073090784042

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.841895921446849, total energy = -0.03314073090783509

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.8418957828660485, total energy = -0.03314073090785019

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 4.841896060807628, total energy = -0.03314073090783776

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.841895698889854, total energy = -0.03314073090783598

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 40
         Function evaluations: 89
Results for this minimization:
  a = 4.84189593810588, total energy = -0.03314073090784042

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.841895857825875, total energy = -0.03314073090783598

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 4.8418960157607245, total energy = -0.033140730907833316

Attempting to perform relaxation using initial lattice constant guess of a = 7.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.841895719978483, total energy = -0.03314073090782976

Attempting to perform relaxation using initial lattice constant guess of a = 7.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.841895775857841, total energy = -0.03314073090784042

Attempting to perform relaxation using initial lattice constant guess of a = 8.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.841895961947736, total energy = -0.03314073090784486

Attempting to perform relaxation using initial lattice constant guess of a = 8.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.841895948629826, total energy = -0.03314073090783687

Attempting to perform relaxation using initial lattice constant guess of a = 8.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.841895798768384, total energy = -0.03314073090783598

Attempting to perform relaxation using initial lattice constant guess of a = 8.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 40
         Function evaluations: 89
Results for this minimization:
  a = 4.84189576432108, total energy = -0.03314073090783509

Attempting to perform relaxation using initial lattice constant guess of a = 8.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.841895974427455, total energy = -0.0331407309078422

Attempting to perform relaxation using initial lattice constant guess of a = 8.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 40
         Function evaluations: 90
Results for this minimization:
  a = 4.841895960154938, total energy = -0.03314073090784131

Attempting to perform relaxation using initial lattice constant guess of a = 8.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 4.8418959635309875, total energy = -0.03314073090784131

Attempting to perform relaxation using initial lattice constant guess of a = 8.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 4.841896008586629, total energy = -0.033140730907838645

Attempting to perform relaxation using initial lattice constant guess of a = 9.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.841895868687414, total energy = -0.03314073090783154

Attempting to perform relaxation using initial lattice constant guess of a = 9.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 43
         Function evaluations: 95
Results for this minimization:
  a = 4.84189577061333, total energy = -0.03314073090782976

Attempting to perform relaxation using initial lattice constant guess of a = 9.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 4.841895841062066, total energy = -0.03314073090783154

Attempting to perform relaxation using initial lattice constant guess of a = 9.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 41
         Function evaluations: 92
Results for this minimization:
  a = 4.84189571114257, total energy = -0.0331407309078422

Attempting to perform relaxation using initial lattice constant guess of a = 9.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.841895982064311, total energy = -0.03314073090783687

Attempting to perform relaxation using initial lattice constant guess of a = 9.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.841895893978643, total energy = -0.033140730907838645

Attempting to perform relaxation using initial lattice constant guess of a = 9.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.841895959526293, total energy = -0.03314073090784131

Attempting to perform relaxation using initial lattice constant guess of a = 9.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.841895903646943, total energy = -0.03314073090783687

Attempting to perform relaxation using initial lattice constant guess of a = 10.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.033141
         Iterations: 41
         Function evaluations: 91
Results for this minimization:
  a = 4.841896072030067, total energy = -0.03314073090783154

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


Attempting to perform relaxation using initial lattice constant guess of a = [1.92544261] Angstroms and c = 2.5153876934298207 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.180456
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.31694625188116, c = 1.8309747041350697, total energy = -21.180455845325216

Attempting to perform relaxation using initial lattice constant guess of a = [1.92544261] Angstroms and c = 2.6725994242691846 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.019971
         Iterations: 81
         Function evaluations: 162
Results for this minimization:
  a = 2.6207594562905197, c = 1.8396440561521499, total energy = -21.019970837494206

Attempting to perform relaxation using initial lattice constant guess of a = [1.92544261] Angstroms and c = 2.8298111551085485 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.019971
         Iterations: 84
         Function evaluations: 182
Results for this minimization:
  a = 2.62075938741854, c = 1.839644119201186, total energy = -21.019970837493947

Attempting to perform relaxation using initial lattice constant guess of a = [1.92544261] Angstroms and c = 2.9870228859479124 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.019971
         Iterations: 83
         Function evaluations: 177
Results for this minimization:
  a = 2.6207595241185135, c = 1.8396440568441026, total energy = -21.019970837494245

Attempting to perform relaxation using initial lattice constant guess of a = [1.92544261] Angstroms and c = 3.1442346167872763 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.180456
         Iterations: 99
         Function evaluations: 199
Results for this minimization:
  a = 2.3169461905816107, c = 1.8309747123223274, total energy = -21.180455845325177

Attempting to perform relaxation using initial lattice constant guess of a = [1.92544261] Angstroms and c = 3.3014463476266402 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.734323
         Iterations: 87
         Function evaluations: 184
Results for this minimization:
  a = 1.7310944084565585, c = 4.683095716057926, total energy = -20.734323215029484

Attempting to perform relaxation using initial lattice constant guess of a = [1.92544261] Angstroms and c = 3.458658078466004 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.734323
         Iterations: 81
         Function evaluations: 165
Results for this minimization:
  a = 1.7310943965385035, c = 4.683095824241316, total energy = -20.734323215029388

Attempting to perform relaxation using initial lattice constant guess of a = [1.92544261] Angstroms and c = 3.615869809305368 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.734323
         Iterations: 77
         Function evaluations: 168
Results for this minimization:
  a = 1.731094421256096, c = 4.683095634027232, total energy = -20.734323215029313

Attempting to perform relaxation using initial lattice constant guess of a = [1.92544261] Angstroms and c = 3.773081540144732 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.734323
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 1.7310944157318466, c = 4.6830957754615, total energy = -20.734323215029438

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

 Final lattice Constants:
   a = 2.31694625188116 Angstroms, c = 1.8309747041350697 Angstroms, c/a = 0.790253

 Total energy: -21.180455845325216 eV

 Cohesive energy: -5.295113961331304 eV/atom

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