Element = Lattice = Model = Element: Mg
Lattice: hcp
Model: EAM_Dynamo_ZhouJohnsonWadley_2004_Mg__MO_137404467969_005
Computed model cutoff of 7.147123812884111 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mg

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.75 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 = 1.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -6.200011
         Iterations: 43
         Function evaluations: 89
Results for this minimization:
  a = 3.1962909317517187, total energy = -6.200010747686977

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: -6.200011
         Iterations: 44
         Function evaluations: 91
Results for this minimization:
  a = 3.196290936321023, total energy = -6.200010747687003

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: -6.200011
         Iterations: 45
         Function evaluations: 92
Results for this minimization:
  a = 3.196290935156869, total energy = -6.200010747686999

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: -6.200011
         Iterations: 46
         Function evaluations: 95
Results for this minimization:
  a = 3.1962909378111357, total energy = -6.200010747687028

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: -6.200011
         Iterations: 46
         Function evaluations: 96
Results for this minimization:
  a = 3.196290936588775, total energy = -6.200010747687019

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: -6.200011
         Iterations: 45
         Function evaluations: 93
Results for this minimization:
  a = 3.1962909374851733, total energy = -6.200010747687031

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: -6.200011
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.196290931664409, total energy = -6.200010747686979

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: -6.200011
         Iterations: 45
         Function evaluations: 93
Results for this minimization:
  a = 3.1962909378111393, total energy = -6.200010747687024

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: -6.200011
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.196290931943805, total energy = -6.200010747686999

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: -6.200011
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.1962909380905336, total energy = -6.200010747687034

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: -6.200011
         Iterations: 42
         Function evaluations: 87
Results for this minimization:
  a = 3.1962909374851733, total energy = -6.2000107476870285

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: -6.200011
         Iterations: 42
         Function evaluations: 87
Results for this minimization:
  a = 3.1962909273337567, total energy = -6.200010747686939

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: -6.200011
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.1962909348774704, total energy = -6.200010747687003

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: -6.200011
         Iterations: 46
         Function evaluations: 95
Results for this minimization:
  a = 3.196290934598074, total energy = -6.200010747686995

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: -6.200011
         Iterations: 44
         Function evaluations: 91
Results for this minimization:
  a = 3.1962909374851725, total energy = -6.200010747687024

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: -6.200011
         Iterations: 41
         Function evaluations: 82
Results for this minimization:
  a = 3.1962909372523427, total energy = -6.2000107476870046

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: -6.200011
         Iterations: 46
         Function evaluations: 93
Results for this minimization:
  a = 3.196290937237788, total energy = -6.20001074768702

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: -6.200011
         Iterations: 43
         Function evaluations: 89
Results for this minimization:
  a = 3.1962909363210183, total energy = -6.200010747687008

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: -6.200011
         Iterations: 43
         Function evaluations: 89
Results for this minimization:
  a = 3.196290937234881, total energy = -6.200010747687038

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: -6.200011
         Iterations: 45
         Function evaluations: 93
Results for this minimization:
  a = 3.1962909347610537, total energy = -6.200010747686994

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: -6.200011
         Iterations: 48
         Function evaluations: 98
Results for this minimization:
  a = 3.196290936350124, total energy = -6.200010747687017

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: -6.200011
         Iterations: 48
         Function evaluations: 99
Results for this minimization:
  a = 3.196290937915906, total energy = -6.200010747687023

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: -6.200011
         Iterations: 46
         Function evaluations: 96
Results for this minimization:
  a = 3.196290936646983, total energy = -6.200010747687027

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: -6.200011
         Iterations: 47
         Function evaluations: 97
Results for this minimization:
  a = 3.1962909365887775, total energy = -6.200010747687024

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: -6.200011
         Iterations: 50
         Function evaluations: 103
Results for this minimization:
  a = 3.1962909345413175, total energy = -6.200010747687009

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: -6.200011
         Iterations: 48
         Function evaluations: 100
Results for this minimization:
  a = 3.1962909374851733, total energy = -6.200010747687023

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: -6.200011
         Iterations: 50
         Function evaluations: 102
Results for this minimization:
  a = 3.1962909340800194, total energy = -6.2000107476870125

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: -6.200011
         Iterations: 45
         Function evaluations: 93
Results for this minimization:
  a = 3.196290937042794, total energy = -6.200010747687029

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: -6.200011
         Iterations: 48
         Function evaluations: 100
Results for this minimization:
  a = 3.196290937019513, total energy = -6.200010747687019

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: -6.200011
         Iterations: 48
         Function evaluations: 99
Results for this minimization:
  a = 3.196290937811132, total energy = -6.200010747687023

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 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 = 5.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.75 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 = 5.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.875 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 = 5.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.0 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 = 6.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -6.200011
         Iterations: 49
         Function evaluations: 104
Results for this minimization:
  a = 3.1962909321940938, total energy = -6.200010747686972

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: -6.200011
         Iterations: 48
         Function evaluations: 99
Results for this minimization:
  a = 3.1962909374851733, total energy = -6.200010747687024

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: -6.200011
         Iterations: 48
         Function evaluations: 100
Results for this minimization:
  a = 3.1962909372348793, total energy = -6.200010747687041

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: -6.200011
         Iterations: 49
         Function evaluations: 100
Results for this minimization:
  a = 3.196290935127756, total energy = -6.200010747687009

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: -6.200011
         Iterations: 45
         Function evaluations: 94
Results for this minimization:
  a = 3.1962909374546067, total energy = -6.200010747687039

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: -6.200011
         Iterations: 45
         Function evaluations: 94
Results for this minimization:
  a = 3.196290934877467, total energy = -6.200010747687003

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: -6.200011
         Iterations: 50
         Function evaluations: 106
Results for this minimization:
  a = 3.19629093358526, total energy = -6.200010747686981

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: -6.200011
         Iterations: 51
         Function evaluations: 105
Results for this minimization:
  a = 3.1962909347610537, total energy = -6.200010747686991

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: -6.200011
         Iterations: 50
         Function evaluations: 103
Results for this minimization:
  a = 3.1962909365887686, total energy = -6.2000107476870205

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: -6.200011
         Iterations: 49
         Function evaluations: 102
Results for this minimization:
  a = 3.19629093782277, total energy = -6.200010747687036

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.19629094] Angstroms and c = 4.17561699504409 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 126
         Function evaluations: 254
Results for this minimization:
  a = 3.1970715145954545, c = 5.211228251805771, total energy = -6.2000553020658815

Attempting to perform relaxation using initial lattice constant guess of a = [3.19629094] Angstroms and c = 4.4365930572343455 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 121
         Function evaluations: 242
Results for this minimization:
  a = 3.197071512635964, c = 5.2112282726356325, total energy = -6.200055302065874

Attempting to perform relaxation using initial lattice constant guess of a = [3.19629094] Angstroms and c = 4.697569119424601 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 131
         Function evaluations: 257
Results for this minimization:
  a = 3.197071521928601, c = 5.2112281738238035, total energy = -6.200055302065868

Attempting to perform relaxation using initial lattice constant guess of a = [3.19629094] Angstroms and c = 4.958545181614857 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 110
         Function evaluations: 218
Results for this minimization:
  a = 3.1970715229458246, c = 5.211228163010393, total energy = -6.200055302065878

Attempting to perform relaxation using initial lattice constant guess of a = [3.19629094] Angstroms and c = 5.219521243805113 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 129
         Function evaluations: 251
Results for this minimization:
  a = 3.197071498946319, c = 5.211228418201692, total energy = -6.200055302065856

Attempting to perform relaxation using initial lattice constant guess of a = [3.19629094] Angstroms and c = 5.480497305995369 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 118
         Function evaluations: 238
Results for this minimization:
  a = 3.1970715031088934, c = 5.211228373940964, total energy = -6.200055302065858

Attempting to perform relaxation using initial lattice constant guess of a = [3.19629094] Angstroms and c = 5.741473368185625 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 137
         Function evaluations: 266
Results for this minimization:
  a = 3.1970715252071056, c = 5.211228138959754, total energy = -6.200055302065864

Attempting to perform relaxation using initial lattice constant guess of a = [3.19629094] Angstroms and c = 6.002449430375881 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 128
         Function evaluations: 249
Results for this minimization:
  a = 3.1970655774392167, c = 5.211291386737432, total energy = -6.200055299457825

Attempting to perform relaxation using initial lattice constant guess of a = [3.19629094] Angstroms and c = 6.263425492566137 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 131
         Function evaluations: 264
Results for this minimization:
  a = 3.197071503532883, c = 5.211228369439148, total energy = -6.200055302065885

Attempting to perform relaxation using initial lattice constant guess of a = [3.19629094] Angstroms and c = 6.524401554756393 = ([2.04124145] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 120
         Function evaluations: 242
Results for this minimization:
  a = 3.1970715168655364, c = 5.211228227662453, total energy = -6.2000553020658655

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

 Final lattice Constants:
   a = 3.197071503532883 Angstroms, c = 5.211228369439148 Angstroms, c/a = 1.630001

 Total energy: -6.200055302065885 eV

 Cohesive energy: -1.5500138255164713 eV/atom

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