Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_AcklandTichyVitek_1987_Ni__MO_977363131043_005
Computed model cutoff of 4.317169494964219 Angstroms
Computed isolated atomic energy of 0.0 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: -17.818661
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4939600765705148, total energy = -17.818661263380424

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: -17.818661
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4939600560814137, total energy = -17.818661263380413

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: -17.818661
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.493960055988282, total energy = -17.81866126338042

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: -17.818661
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.493960050551692, total energy = -17.818661263380406

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: -17.818661
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4939600699115574, total energy = -17.818661263380402

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: -17.818661
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4939600567566247, total energy = -17.818661263380417

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: -17.818661
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.493960076733493, total energy = -17.818661263380402

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: -17.818661
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.493960052903276, total energy = -17.818661263380406

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: -17.818661
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4939600528217865, total energy = -17.81866126338041

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: -17.818661
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.493960052717012, total energy = -17.81866126338041

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: -17.818661
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4939600527286534, total energy = -17.8186612633804

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: -17.818661
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.4939600801095363, total energy = -17.81866126338039

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: -17.818661
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.4939600564539433, total energy = -17.81866126338042

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: -17.818661
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.493960097921081, total energy = -17.81866126338037

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: -17.818661
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4939600528567096, total energy = -17.818661263380413

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: -17.818661
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4939600664307355, total energy = -17.818661263380417

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: -17.818661
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.493960052728652, total energy = -17.81866126338041

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: -17.818661
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4939600564539433, total energy = -17.81866126338042

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: -17.818661
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4939600564539433, total energy = -17.81866126338042

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: -17.818661
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4939600597484963, total energy = -17.818661263380417

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: -17.818661
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.493960073962807, total energy = -17.818661263380395

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: -17.818661
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.493960025906561, total energy = -17.81866126338038

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: -17.818661
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.493960053077899, total energy = -17.818661263380402

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: -17.818661
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.493960056395732, total energy = -17.818661263380417

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: -17.818661
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.493960046395658, total energy = -17.818661263380402

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: -17.818661
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4939600492711196, total energy = -17.81866126338041

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: -17.818661
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4939600531128208, total energy = -17.81866126338041

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: -17.818661
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.493960080522811, total energy = -17.818661263380385

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49396008] Angstroms and c = 3.2580958007841203 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.4896357899950097, c = 4.088143289981842, total energy = -17.819315175564963

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396008] Angstroms and c = 3.4617267883331277 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.48963580217208, c = 4.088143225420232, total energy = -17.81931517556495

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396008] Angstroms and c = 3.665357775882135 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.489635818073836, c = 4.088143136540076, total energy = -17.819315175564913

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396008] Angstroms and c = 3.8689887634311426 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 65
         Function evaluations: 137
Results for this minimization:
  a = 2.4896358001387986, c = 4.088143243564539, total energy = -17.81931517556494

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396008] Angstroms and c = 4.0726197509801505 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 71
         Function evaluations: 144
Results for this minimization:
  a = 2.4896357862125154, c = 4.088143294769738, total energy = -17.81931517556494

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396008] Angstroms and c = 4.276250738529157 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 2.4896357897062193, c = 4.088143230486205, total energy = -17.819315175564945

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396008] Angstroms and c = 4.479881726078165 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 70
         Function evaluations: 155
Results for this minimization:
  a = 2.4896357621500176, c = 4.088143127528389, total energy = -17.819315175564867

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396008] Angstroms and c = 4.683512713627172 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.489635806847006, c = 4.088143255767372, total energy = -17.81931517556496

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396008] Angstroms and c = 4.88714370117618 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.4896357892028025, c = 4.088143201792606, total energy = -17.81931517556493

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

 Final lattice Constants:
   a = 2.4896357899950097 Angstroms, c = 4.088143289981842 Angstroms, c/a = 1.642065

 Total energy: -17.819315175564963 eV

 Cohesive energy: -4.454828793891241 eV/atom

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