Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
Computed model cutoff of 5.170557098388691 Angstroms
Computed isolated atomic energy of -0.022546436667 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))

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:
Calling "kim_model.compute" failed.

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:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 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 = 1.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 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 = 1.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -17.618052
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.490868450095878, total energy = -17.61805219546615

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: -17.618052
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4908684644848105, total energy = -17.618052195466156

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: -17.618052
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.490868463879451, total energy = -17.61805219546618

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: -17.618052
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.49086847305298, total energy = -17.618052195466174

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: -17.618052
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.490868462808431, total energy = -17.618052195466145

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: -17.618052
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4908684514462953, total energy = -17.618052195466124

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: -17.618052
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4908684723428447, total energy = -17.61805219546616

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: -17.618052
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.49086845619604, total energy = -17.618052195466134

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: -17.618052
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.4908684514462944, total energy = -17.61805219546615

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: -17.618052
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.4908685123547905, total energy = -17.61805219546611

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: -17.618052
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4908684952126343, total energy = -17.618052195466152

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: -17.618052
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.490868467371909, total energy = -17.618052195466177

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: -17.618052
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4908684568072204, total energy = -17.618052195466145

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: -17.618052
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.490868489671265, total energy = -17.61805219546615

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: -17.618052
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4908684837166213, total energy = -17.61805219546614

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: -17.618052
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4908684644848096, total energy = -17.618052195466145

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: -17.618052
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.490868498300549, total energy = -17.618052195466134

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: -17.618052
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4908684492111206, total energy = -17.618052195466113

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: -17.618052
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4908684670925103, total energy = -17.61805219546614

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: -17.618052
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.490868466719984, total energy = -17.61805219546615

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: -17.618052
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4908684700960304, total energy = -17.61805219546614

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: -17.618052
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4908684596419306, total energy = -17.61805219546613

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 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 = 4.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.5 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 = 4.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.625 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 = 4.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.75 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 = 4.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.875 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 = 4.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.0 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 = 5.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -17.618052
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.490868473891163, total energy = -17.61805219546615

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: -17.618052
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4908684670925116, total energy = -17.618052195466145

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49086846] Angstroms and c = 3.2540569348772306 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621287
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.481888514466811, c = 4.104808954852411, total energy = -17.62128733850589

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086846] Angstroms and c = 3.4574354933070577 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621287
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.4818885463826943, c = 4.104808962842805, total energy = -17.621287338505866

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086846] Angstroms and c = 3.660814051736885 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621287
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.4818884859247587, c = 4.104809064872823, total energy = -17.62128733850585

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086846] Angstroms and c = 3.864192610166712 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621287
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.4818885127927146, c = 4.10480901779815, total energy = -17.621287338505894

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086846] Angstroms and c = 4.0675711685965386 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621287
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.481888534583028, c = 4.104808963482812, total energy = -17.621287338505873

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086846] Angstroms and c = 4.270949727026366 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621287
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.4818885143266876, c = 4.104809073183343, total energy = -17.62128733850589

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086846] Angstroms and c = 4.474328285456194 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621287
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.4818885227642604, c = 4.104809083788897, total energy = -17.621287338505873

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086846] Angstroms and c = 4.67770684388602 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621287
         Iterations: 67
         Function evaluations: 150
Results for this minimization:
  a = 2.4818885260987464, c = 4.1048089781829, total energy = -17.621287338505887

Attempting to perform relaxation using initial lattice constant guess of a = [2.49086846] Angstroms and c = 4.881085402315847 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.621287
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.4818885143360587, c = 4.104808975056898, total energy = -17.621287338505883

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

 Final lattice Constants:
   a = 2.4818885127927146 Angstroms, c = 4.10480901779815 Angstroms, c/a = 1.653905

 Total energy: -17.621287338505894 eV

 Cohesive energy: -4.4053218346264735 eV/atom

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