Element = Lattice = Model = Element: Rb
Lattice: hcp
Model: EAM_Dynamo_NicholAckland_2016v2_Rb__MO_874930365376_000
Computed model cutoff of 7.259877677261845 Angstroms
Computed isolated atomic energy of 0.0 eV for species Rb

==============================================================================
==============================================================================
 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: -3.310235
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 5.00910456329585, total energy = -3.3102350777813

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: -3.310235
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 5.009104567713804, total energy = -3.3102350777813006

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: -3.310235
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 5.009104533412028, total energy = -3.310235077781302

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: -3.310235
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 5.009104487299936, total energy = -3.310235077781295

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: -3.310235
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 5.0091045856475915, total energy = -3.3102350777812974

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: -3.310235
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 5.009104570560165, total energy = -3.3102350777813

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: -3.310235
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.009104591608047, total energy = -3.310235077781298

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: -3.310235
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 5.009104571538046, total energy = -3.3102350777812957

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: -3.310235
         Iterations: 40
         Function evaluations: 89
Results for this minimization:
  a = 5.009104582667359, total energy = -3.310235077781297

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: -3.310235
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 5.009104621410373, total energy = -3.3102350777812943

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: -3.310235
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.009104621410371, total energy = -3.3102350777812943

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: -3.310235
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.009104536753142, total energy = -3.3102350777812957

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: -3.310235
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.009104490338359, total energy = -3.3102350777812943

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: -3.310235
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 5.009104495123035, total energy = -3.3102350777812948

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: -3.310235
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.009104544541343, total energy = -3.310235077781298

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: -3.310235
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 5.0091045252978805, total energy = -3.3102350777812957

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: -3.310235
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 5.0091046214103745, total energy = -3.3102350777812934

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: -3.310235
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 5.009104534983635, total energy = -3.3102350777812974

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: -3.310235
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 5.009104540292177, total energy = -3.310235077781297

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: -3.310235
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.009104554355149, total energy = -3.3102350777812997

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: -3.310235
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 5.009104591445065, total energy = -3.310235077781295

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: -3.310235
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 5.009104500431569, total energy = -3.3102350777812948

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: -3.310235
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.009104577824473, total energy = -3.3102350777812957

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: -3.310235
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 5.009104562574068, total energy = -3.3102350777813

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: -3.310235
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 5.009104585647585, total energy = -3.310235077781295

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: -3.310235
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 5.009104579885021, total energy = -3.310235077781298

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: -3.310235
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 5.009104521665723, total energy = -3.310235077781294

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: -3.310235
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 5.009104510769248, total energy = -3.310235077781294

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: -3.310235
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 5.009104554355147, total energy = -3.310235077781298

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: -3.310235
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 5.009104543924333, total energy = -3.3102350777812957

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: -3.310235
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 5.009104534983635, total energy = -3.3102350777812957

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: -3.310235
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 5.009104563295841, total energy = -3.310235077781297

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: -3.310235
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 5.009104490280151, total energy = -3.3102350777812926

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: -3.310235
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 5.009104583621956, total energy = -3.3102350777812957

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: -3.310235
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 5.009104534238576, total energy = -3.3102350777812983

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: -3.310235
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 5.009104621410371, total energy = -3.3102350777812926

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: -3.310235
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 5.009104585647583, total energy = -3.3102350777812943

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: -3.310235
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 5.009104531134653, total energy = -3.310235077781298

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: -3.310235
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 5.0091045254317565, total energy = -3.3102350777812957

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: -3.310235
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 5.0091045693494385, total energy = -3.3102350777812974

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: -3.310235
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 5.009104586765168, total energy = -3.3102350777812948

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: -3.310235
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.009104533953357, total energy = -3.3102350777812957

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: -3.310235
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.009104553610086, total energy = -3.3102350777812966

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: -3.310235
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 5.009104621113508, total energy = -3.3102350777812948

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: -3.310235
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.009104577824475, total energy = -3.310235077781298

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: -3.310235
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.009104563423895, total energy = -3.310235077781297

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: -3.310235
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 5.00910454924742, total energy = -3.310235077781299

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: -3.310235
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 5.009104601878789, total energy = -3.310235077781296

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: -3.310235
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 5.009104581095741, total energy = -3.3102350777812966

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: -3.310235
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 5.009104563295836, total energy = -3.310235077781296

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: -3.310235
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.009104497055517, total energy = -3.310235077781292

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: -3.310235
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.00910454103723, total energy = -3.310235077781298

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


Attempting to perform relaxation using initial lattice constant guess of a = [5.00910453] Angstroms and c = 6.54386676006479 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.310235
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 5.009104499056135, c = 8.179833502209602, total energy = -3.3102350777812966

Attempting to perform relaxation using initial lattice constant guess of a = [5.00910453] Angstroms and c = 6.952858432568839 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.310235
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 5.009104507334488, c = 8.179833608824433, total energy = -3.3102350777812966

Attempting to perform relaxation using initial lattice constant guess of a = [5.00910453] Angstroms and c = 7.361850105072889 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.310235
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 5.009104549074376, c = 8.179833625257595, total energy = -3.310235077781296

Attempting to perform relaxation using initial lattice constant guess of a = [5.00910453] Angstroms and c = 7.770841777576938 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.310235
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 5.009104596544999, c = 8.179833505610938, total energy = -3.3102350777812966

Attempting to perform relaxation using initial lattice constant guess of a = [5.00910453] Angstroms and c = 8.179833450080988 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.310235
         Iterations: 60
         Function evaluations: 137
Results for this minimization:
  a = 5.009104537232093, c = 8.179833452846614, total energy = -3.3102350777812983

Attempting to perform relaxation using initial lattice constant guess of a = [5.00910453] Angstroms and c = 8.588825122585035 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.310235
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 5.009104585461914, c = 8.179833561095386, total energy = -3.310235077781297

Attempting to perform relaxation using initial lattice constant guess of a = [5.00910453] Angstroms and c = 8.997816795089086 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.310235
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 5.009104682919743, c = 8.179833357344274, total energy = -3.3102350777812903

Attempting to perform relaxation using initial lattice constant guess of a = [5.00910453] Angstroms and c = 9.406808467593134 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.310235
         Iterations: 69
         Function evaluations: 154
Results for this minimization:
  a = 5.009104582023607, c = 8.179833423207873, total energy = -3.3102350777812988

Attempting to perform relaxation using initial lattice constant guess of a = [5.00910453] Angstroms and c = 9.815800140097185 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.310235
         Iterations: 77
         Function evaluations: 161
Results for this minimization:
  a = 5.009104518839864, c = 8.179833403404023, total energy = -3.3102350777812966

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

 Final lattice Constants:
   a = [5.00910453] Angstroms, c = [8.17983345] Angstroms, c/a = 1.632993

 Total energy: -3.310235077781302 eV

 Cohesive energy: -0.8275587694453255 eV/atom

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