Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_StollerTammBeland_2016_Ni__MO_103383163946_000
Computed model cutoff of 5.169368743896503 Angstroms
Computed isolated atomic energy of -0.0272313164 eV for species Ni

==============================================================================
==============================================================================
 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: -17.599313
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4908681210130483, total energy = -17.599312691456056

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: -17.599313
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4908681228756904, total energy = -17.599312691456092

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: -17.599313
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4908681139349937, total energy = -17.599312691456074

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: -17.599313
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.490868126135324, total energy = -17.599312691456063

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: -17.599313
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4908681315369927, total energy = -17.599312691456074

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: -17.599313
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.490868140757085, total energy = -17.599312691456078

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: -17.599313
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.490868122875691, total energy = -17.599312691456085

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: -17.599313
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4908681153319776, total energy = -17.59931269145606

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: -17.599313
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.490868118032814, total energy = -17.59931269145609

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: -17.599313
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4908681465545683, total energy = -17.599312691456046

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: -17.599313
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4908681228756913, total energy = -17.599312691456085

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: -17.599313
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4908681337023144, total energy = -17.599312691456063

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: -17.599313
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.4908681139349937, total energy = -17.59931269145605

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: -17.599313
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.49086812287569, total energy = -17.59931269145608

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: -17.599313
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4908681261353185, total energy = -17.599312691456102

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: -17.599313
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4908681275846885, total energy = -17.59931269145608

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: -17.599313
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4908681396394954, total energy = -17.599312691456085

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: -17.599313
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.4908681254601106, total energy = -17.599312691456078

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: -17.599313
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4908681455999604, total energy = -17.599312691456074

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: -17.599313
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.49086812287569, total energy = -17.599312691456085

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: -17.599313
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.49086812287569, total energy = -17.599312691456085

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: -17.599313
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4908681525936096, total energy = -17.59931269145603

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: -17.599313
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4908681137603708, total energy = -17.59931269145607

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: -17.599313
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4908681210014, total energy = -17.599312691456024

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: -17.599313
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4908680990338308, total energy = -17.599312691456035

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: -17.599313
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4908681374043242, total energy = -17.599312691456074

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: -17.599313
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4908681034110467, total energy = -17.599312691456102

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: -17.599313
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.49086814445036, total energy = -17.599312691456056

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: -17.599313
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.490868121199305, total energy = -17.59931269145608

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: -17.599313
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.490868132561444, total energy = -17.599312691456046

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: -17.599313
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4908681341446943, total energy = -17.599312691456053

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: -17.599313
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4908681406435753, total energy = -17.599312691456042

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: -17.599313
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4908681139349937, total energy = -17.599312691456053

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: -17.599313
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.490868118777865, total energy = -17.599312691456028

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: -17.599313
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.490868122875688, total energy = -17.59931269145606

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49086813] Angstroms and c = 3.2540564936501433 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.602548
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.4818883424041545, c = 4.104808586657047, total energy = -17.602547805112323

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086813] Angstroms and c = 3.457435024503277 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.602548
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.4818883329665455, c = 4.104808608537544, total energy = -17.602547805112344

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086813] Angstroms and c = 3.6608135553564107 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.602548
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.481888356658097, c = 4.10480847792935, total energy = -17.60254780511234

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086813] Angstroms and c = 3.8641920862095445 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.602548
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.4818883264290714, c = 4.1048084712201005, total energy = -17.602547805112316

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086813] Angstroms and c = 4.067570617062678 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.602548
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.48188835804382, c = 4.1048085205956095, total energy = -17.602547805112344

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086813] Angstroms and c = 4.270949147915812 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.602548
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.481888353466616, c = 4.104808602817084, total energy = -17.602547805112323

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086813] Angstroms and c = 4.474327678768946 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.602548
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.4818883380347154, c = 4.104808487260496, total energy = -17.602547805112305

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086813] Angstroms and c = 4.677706209622079 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.602548
         Iterations: 81
         Function evaluations: 170
Results for this minimization:
  a = 2.481888348156491, c = 4.104808503910938, total energy = -17.60254780511233

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086813] Angstroms and c = 4.881084740475213 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.602548
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 2.4818883467449, c = 4.104808542394263, total energy = -17.602547805112312

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

 Final lattice Constants:
   a = 2.4818883329665455 Angstroms, c = 4.104808608537544 Angstroms, c/a = 1.653905

 Total energy: -17.602547805112344 eV

 Cohesive energy: -4.400636951278086 eV/atom

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