Element = Lattice = Model = Element: Mg
Lattice: hcp
Model: EAM_Dynamo_WilsonMendelev_2016_Mg__MO_574574915905_000
Computed model cutoff of 7.4992998802662 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))

Optimization terminated successfully.
         Current function value: -6.128380
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.1822196243330882, total energy = -6.128380349161905

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: -6.128380
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.1822196335124313, total energy = -6.1283803491619455

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: -6.128380
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.1822196170687675, total energy = -6.128380349161928

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: -6.128380
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.1822196410386905, total energy = -6.12838034916192

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: -6.128380
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.1822196247987495, total energy = -6.128380349161902

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: -6.128380
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1822196498513238, total energy = -6.128380349161938

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: -6.128380
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.182219634111971, total energy = -6.1283803491618976

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: -6.128380
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.182219624519348, total energy = -6.128380349161915

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: -6.128380
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.182219600677493, total energy = -6.128380349161908

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: -6.128380
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.1822196006774917, total energy = -6.128380349161913

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: -6.128380
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1822196368128064, total energy = -6.128380349161912

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: -6.128380
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1822196088265606, total energy = -6.128380349161906

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: -6.128380
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 3.1822196170687675, total energy = -6.1283803491619135

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: -6.128380
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.182219629548491, total energy = -6.128380349161903

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: -6.128380
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.1822196409106276, total energy = -6.128380349161923

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: -6.128380
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.18221963364631, total energy = -6.1283803491619455

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: -6.128380
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.182219624798746, total energy = -6.12838034916192

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: -6.128380
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.182219654554501, total energy = -6.128380349161899

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: -6.128380
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.182219630479813, total energy = -6.1283803491619135

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: -6.128380
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.1822196333814645, total energy = -6.128380349161904

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: -6.128380
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.1822196962079037, total energy = -6.12838034916187

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: -6.128380
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.1822196603287, total energy = -6.128380349161892

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: -6.128380
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.182219624519348, total energy = -6.128380349161906

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: -6.128380
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.182219641294795, total energy = -6.128380349161925

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: -6.128380
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.1822196245193473, total energy = -6.128380349161923

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: -6.128380
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.182219622982667, total energy = -6.128380349161932

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: -6.128380
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.182219607010482, total energy = -6.128380349161923

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: -6.128380
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.182219641894335, total energy = -6.128380349161914

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: -6.128380
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.18221963686519, total energy = -6.128380349161946

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: -6.128380
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1822196267719836, total energy = -6.128380349161937

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: -6.128380
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.182219625636936, total energy = -6.128380349161893

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: -6.128380
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.1822196313121798, total energy = -6.128380349161923

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: -6.128380
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.182219624519348, total energy = -6.128380349161908

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: -6.128380
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.1822195947170218, total energy = -6.128380349161908

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: -6.128380
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.1822196415276256, total energy = -6.128380349161915

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: -6.128380
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.1822196133696727, total energy = -6.128380349161911

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: -6.128380
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.182219641294794, total energy = -6.12838034916193

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.128380
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.1822196122957394, total energy = -6.1283803491619295

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.128380
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1822196336463047, total energy = -6.128380349161929

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.128380
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1822196294306178, total energy = -6.128380349161916

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.128380
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.182219624519342, total energy = -6.1283803491619055

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: -6.128380
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.182219591736791, total energy = -6.128380349161901

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: -6.128380
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.182219654554501, total energy = -6.1283803491618905

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: -6.128380
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.182219565846024, total energy = -6.128380349161885

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: -6.128380
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.1822195918881278, total energy = -6.12838034916191

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: -6.128380
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.18221963302348, total energy = -6.128380349161909

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: -6.128380
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.182219678722318, total energy = -6.128380349161892

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: -6.128380
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.182219624199206, total energy = -6.128380349161905

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 7.700000000000001, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 7.8375, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 7.612500000000001, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 7.74375, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.000000
         Iterations: 52
         Function evaluations: 114
Results for this minimization:
  a = 7.499999999825377, total energy = -1.424053054412818e-11

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.18221964] Angstroms and c = 4.157234325218396 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.128486
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 3.1852902057427928, c = 5.185314925286403, total energy = -6.128486369101221

Attempting to perform relaxation using initial lattice constant guess of a = [3.18221964] Angstroms and c = 4.417061470544546 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.128486
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 3.185290253491673, c = 5.185314983730365, total energy = -6.128486369101177

Attempting to perform relaxation using initial lattice constant guess of a = [3.18221964] Angstroms and c = 4.676888615870696 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.128486
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 3.185290177678803, c = 5.185314904532497, total energy = -6.128486369101207

Attempting to perform relaxation using initial lattice constant guess of a = [3.18221964] Angstroms and c = 4.9367157611968455 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.128486
         Iterations: 65
         Function evaluations: 139
Results for this minimization:
  a = 3.1852902278806408, c = 5.185314893116394, total energy = -6.1284863691012035

Attempting to perform relaxation using initial lattice constant guess of a = [3.18221964] Angstroms and c = 5.196542906522995 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.128486
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 3.185290208962046, c = 5.1853149083998815, total energy = -6.128486369101197

Attempting to perform relaxation using initial lattice constant guess of a = [3.18221964] Angstroms and c = 5.456370051849145 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.128486
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 3.1852901989800486, c = 5.185314867976355, total energy = -6.128486369101222

Attempting to perform relaxation using initial lattice constant guess of a = [3.18221964] Angstroms and c = 5.716197197175295 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.128486
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 3.185290191387301, c = 5.185314926332147, total energy = -6.128486369101208

Attempting to perform relaxation using initial lattice constant guess of a = [3.18221964] Angstroms and c = 5.976024342501445 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.128486
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 3.185290161800383, c = 5.185314793806486, total energy = -6.128486369101205

Attempting to perform relaxation using initial lattice constant guess of a = [3.18221964] Angstroms and c = 6.235851487827595 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.128486
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.185290154959225, c = 5.185314896254276, total energy = -6.128486369101226

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

 Final lattice Constants:
   a = 3.185290154959225 Angstroms, c = 5.185314896254276 Angstroms, c/a = 1.627894

 Total energy: -6.128486369101226 eV

 Cohesive energy: -1.5321215922753064 eV/atom

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