Element = Lattice = Model = Element: Mg
Lattice: hcp
Model: EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Mg__MO_894868634445_000
Computed model cutoff of 7.147123953849096 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: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.1962886083929334, total energy = -6.20001058620534

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: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.19628859162331, total energy = -6.200010586205315

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: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.1962885286193363, total energy = -6.200010586205303

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: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.196288556826767, total energy = -6.200010586205344

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: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.1962885766668476, total energy = -6.200010586205352

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.196288563136477, total energy = -6.20001058620533

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.196288572996856, total energy = -6.2000105862053205

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.196288581565025, total energy = -6.200010586205314

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.1962885509972705, total energy = -6.200010586205336

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.1962885369546727, total energy = -6.200010586205328

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1962885879329406, total energy = -6.20001058620535

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.1962885791435838, total energy = -6.2000105862053285

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.19628856740892, total energy = -6.200010586205335

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: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.196288537140936, total energy = -6.20001058620532

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: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.196288597211242, total energy = -6.200010586205315

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: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.1962885230896063, total energy = -6.200010586205336

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: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.1962885260581952, total energy = -6.2000105862053045

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: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.1962886154651633, total energy = -6.200010586205304

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: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.19628857439384, total energy = -6.200010586205323

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: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.196288535644997, total energy = -6.200010586205318

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: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.1962885460234247, total energy = -6.2000105862053205

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: 43
         Function evaluations: 92
Results for this minimization:
  a = 3.1962885978980893, total energy = -6.200010586205336

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: 42
         Function evaluations: 92
Results for this minimization:
  a = 3.1962885525193996, total energy = -6.200010586205331

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: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.196288584021387, total energy = -6.200010586205319

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: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.1962886159191806, total energy = -6.2000105862053045

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: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.1962885269895196, total energy = -6.200010586205323

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: 43
         Function evaluations: 91
Results for this minimization:
  a = 3.196288552577603, total energy = -6.200010586205337

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: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.196288574952631, total energy = -6.200010586205327

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: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.1962885872693745, total energy = -6.200010586205337

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: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.196288577979428, total energy = -6.200010586205316

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: 44
         Function evaluations: 95
Results for this minimization:
  a = 3.1962885549059115, total energy = -6.200010586205323

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: 44
         Function evaluations: 93
Results for this minimization:
  a = 3.1962885879329406, total energy = -6.200010586205351

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: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.196288567408917, total energy = -6.200010586205342

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: 43
         Function evaluations: 91
Results for this minimization:
  a = 3.1962885791435784, total energy = -6.200010586205323

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: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.1962885236687653, total energy = -6.20001058620533

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: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.1962885674089163, total energy = -6.200010586205344

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: 44
         Function evaluations: 96
Results for this minimization:
  a = 3.196288554929197, total energy = -6.200010586205333

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: 47
         Function evaluations: 101
Results for this minimization:
  a = 3.1962885547429316, total energy = -6.200010586205323

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: 45
         Function evaluations: 94
Results for this minimization:
  a = 3.196288574952626, total energy = -6.200010586205322

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: 43
         Function evaluations: 90
Results for this minimization:
  a = 3.1962885984772518, total energy = -6.200010586205329

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.19628858] Angstroms and c = 4.1756139112109265 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 118
         Function evaluations: 236
Results for this minimization:
  a = 3.197070588662368, c = 5.211238856496491, total energy = -6.2000549895846415

Attempting to perform relaxation using initial lattice constant guess of a = [3.19628858] Angstroms and c = 4.43658978066161 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 103
         Function evaluations: 202
Results for this minimization:
  a = 3.197069523678205, c = 5.2112501814367285, total energy = -6.200054989500301

Attempting to perform relaxation using initial lattice constant guess of a = [3.19628858] Angstroms and c = 4.697565650112293 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 147
         Function evaluations: 273
Results for this minimization:
  a = 3.197070578583795, c = 5.211238963674083, total energy = -6.200054989584627

Attempting to perform relaxation using initial lattice constant guess of a = [3.19628858] Angstroms and c = 4.958541519562976 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 121
         Function evaluations: 245
Results for this minimization:
  a = 3.1970706097552464, c = 5.211238632200575, total energy = -6.200054989584635

Attempting to perform relaxation using initial lattice constant guess of a = [3.19628858] Angstroms and c = 5.219517389013659 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 111
         Function evaluations: 216
Results for this minimization:
  a = 3.1970706071029493, c = 5.21123866039694, total energy = -6.200054989584616

Attempting to perform relaxation using initial lattice constant guess of a = [3.19628858] Angstroms and c = 5.480493258464342 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 116
         Function evaluations: 232
Results for this minimization:
  a = 3.197070592894292, c = 5.2112388114907455, total energy = -6.200054989584646

Attempting to perform relaxation using initial lattice constant guess of a = [3.19628858] Angstroms and c = 5.741469127915026 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 118
         Function evaluations: 232
Results for this minimization:
  a = 3.1970705990596606, c = 5.211238745935599, total energy = -6.20005498958464

Attempting to perform relaxation using initial lattice constant guess of a = [3.19628858] Angstroms and c = 6.002444997365709 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 131
         Function evaluations: 258
Results for this minimization:
  a = 3.197070598394202, c = 5.2112387530133795, total energy = -6.2000549895846495

Attempting to perform relaxation using initial lattice constant guess of a = [3.19628858] Angstroms and c = 6.263420866816392 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.200055
         Iterations: 139
         Function evaluations: 275
Results for this minimization:
  a = 3.197070527381089, c = 5.211239508133766, total energy = -6.200054989584267

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

 Final lattice Constants:
   a = 3.197070598394202 Angstroms, c = 5.2112387530133795 Angstroms, c/a = 1.630004

 Total energy: -6.2000549895846495 eV

 Cohesive energy: -1.5500137473961624 eV/atom

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