Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_AcklandTichyVitek_1987v2_Ni__MO_769632475533_000
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))

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:
Calling "kim_model.compute" failed.

Continuing...


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: 82
Results for this minimization:
  a = 2.4939601055346423, total energy = -17.81866126337583

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: 81
Results for this minimization:
  a = 2.4939600713551044, total energy = -17.818661263375898

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4939600609883255, total energy = -17.81866126337588

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: 78
Results for this minimization:
  a = 2.4939600437879585, total energy = -17.81866126337588

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 = 2.4939600709825767, total energy = -17.818661263375866

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.493960051797331, total energy = -17.818661263375876

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.493960071413312, total energy = -17.818661263375876

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4939600642770543, total energy = -17.818661263375905

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: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.493960071518087, total energy = -17.818661263375873

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: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.4939600609010095, total energy = -17.818661263375883

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: 67
Results for this minimization:
  a = 2.4939600517973304, total energy = -17.818661263375873

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: 69
Results for this minimization:
  a = 2.4939600713551044, total energy = -17.818661263375887

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 = 2.493960050737951, total energy = -17.818661263375887

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: 72
Results for this minimization:
  a = 2.4939600610523485, total energy = -17.818661263375873

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: 75
Results for this minimization:
  a = 2.493960040927049, total energy = -17.81866126337587

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 = 2.493960043787955, total energy = -17.818661263375894

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4939600539801177, total energy = -17.818661263375898

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4939600715879346, total energy = -17.818661263375873

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4939600547193543, total energy = -17.818661263375862

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: 79
Results for this minimization:
  a = 2.49396005179733, total energy = -17.818661263375883

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: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4939600576413774, total energy = -17.81866126337588

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4939600780489855, total energy = -17.818661263375876

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.493960074440107, total energy = -17.818661263375873

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: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.493960061296819, total energy = -17.818661263375876

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: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.493960068095477, total energy = -17.818661263375876

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.4939600682526333, total energy = -17.81866126337587

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: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4939600713551044, total energy = -17.818661263375883

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49396006] Angstroms and c = 3.258095784724011 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 2.489654607239342, c = 4.088124459415631, total energy = -17.81931463868335

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396006] Angstroms and c = 3.461726771269262 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.4896546176664307, c = 4.088124518769377, total energy = -17.81931463868332

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396006] Angstroms and c = 3.6653577578145127 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.4896546477421486, c = 4.088124482693398, total energy = -17.819314638683323

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396006] Angstroms and c = 3.8689887443597635 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.4896546237890727, c = 4.0881244546570885, total energy = -17.819314638683327

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396006] Angstroms and c = 4.072619730905014 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.4896546016278966, c = 4.088124438247085, total energy = -17.81931463868331

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396006] Angstroms and c = 4.2762507174502655 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 2.4896546769948076, c = 4.088124407615179, total energy = -17.819314638683284

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396006] Angstroms and c = 4.479881703995516 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.4896546371794845, c = 4.088124433589469, total energy = -17.819314638683302

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396006] Angstroms and c = 4.683512690540766 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 73
         Function evaluations: 159
Results for this minimization:
  a = 2.48965462402901, c = 4.088124419908906, total energy = -17.81931463868332

Attempting to perform relaxation using initial lattice constant guess of a = [2.49396006] Angstroms and c = 4.8871436770860175 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.819315
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.4896545923952935, c = 4.08812450283304, total energy = -17.819314638683302

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

 Final lattice Constants:
   a = 2.489654607239342 Angstroms, c = 4.088124459415631 Angstroms, c/a = 1.642045

 Total energy: -17.81931463868335 eV

 Cohesive energy: -4.454828659670837 eV/atom

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