Element = Lattice = Model = Element: Mg
Lattice: hcp
Model: MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000
Computed model cutoff of 5.000000004544876 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: -6.039984
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.1940008281730172, total energy = -6.039983813168447

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: -6.039984
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.194000802375376, total energy = -6.039983813168449

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: -6.039984
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1940008122473955, total energy = -6.039983813168452

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: -6.039984
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.1940008100122292, total energy = -6.039983813168448

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: -6.039984
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.19400079622865, total energy = -6.039983813168447

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: -6.039984
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.1940007917583015, total energy = -6.039983813168444

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: -6.039984
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.1940007984638203, total energy = -6.039983813168447

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: -6.039984
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.194000820396468, total energy = -6.039983813168448

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: -6.039984
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1940008006989995, total energy = -6.0399838131684485

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: -6.039984
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.1940008241683264, total energy = -6.039983813168451

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: -6.039984
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.194000800698996, total energy = -6.039983813168449

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: -6.039984
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.1940007949597184, total energy = -6.0399838131684485

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: -6.039984
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.1940008103847504, total energy = -6.039983813168452

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: -6.039984
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.1940008023753776, total energy = -6.03998381316845

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: -6.039984
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.194000806426631, total energy = -6.03998381316845

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: -6.039984
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.1940008125384343, total energy = -6.039983813168452

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: -6.039984
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.1940007984638212, total energy = -6.039983813168451

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: -6.039984
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.194000814037281, total energy = -6.039983813168447

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: -6.039984
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.1940008062869323, total energy = -6.0399838131684485

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: -6.039984
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.194000800698995, total energy = -6.039983813168449

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: -6.039984
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.1940007984638203, total energy = -6.039983813168448

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: -6.039984
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.194000816717743, total energy = -6.039983813168449

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: -6.039984
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.194000819697976, total energy = -6.039983813168449

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: -6.039984
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.194000817264894, total energy = -6.039983813168449

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: -6.039984
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.1940008312463757, total energy = -6.039983813168443

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: -6.039984
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.194000801048243, total energy = -6.039983813168448

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: -6.039984
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.194000824168323, total energy = -6.0399838131684485

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: -6.039984
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1940008075907826, total energy = -6.039983813168449

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: -6.039984
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.194000793574374, total energy = -6.039983813168447

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: -6.039984
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.194000814869651, total energy = -6.03998381316845

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: -6.039984
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.1940008053556097, total energy = -6.039983813168449

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: -6.039984
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.1940008062869283, total energy = -6.039983813168449

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: -6.039984
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1940008122473955, total energy = -6.0399838131684485

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: -6.039984
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.19400078962935, total energy = -6.039983813168444

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.19400081] Angstroms and c = 4.172625188288605 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.040457
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 3.2027903193443477, c = 5.1873168192257975, total energy = -6.040457211241645

Attempting to perform relaxation using initial lattice constant guess of a = [3.19400081] Angstroms and c = 4.433414262556643 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.040457
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 3.2027902858333976, c = 5.187316887080562, total energy = -6.040457211241645

Attempting to perform relaxation using initial lattice constant guess of a = [3.19400081] Angstroms and c = 4.694203336824681 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.040457
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 3.2027903140765415, c = 5.1873168719012845, total energy = -6.040457211241646

Attempting to perform relaxation using initial lattice constant guess of a = [3.19400081] Angstroms and c = 4.954992411092719 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.040457
         Iterations: 62
         Function evaluations: 137
Results for this minimization:
  a = 3.2027903406425473, c = 5.18731682283925, total energy = -6.040457211241644

Attempting to perform relaxation using initial lattice constant guess of a = [3.19400081] Angstroms and c = 5.215781485360757 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.040457
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 3.2027903076413575, c = 5.1873168419162266, total energy = -6.0404572112416455

Attempting to perform relaxation using initial lattice constant guess of a = [3.19400081] Angstroms and c = 5.476570559628795 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.040457
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 3.2027903168646517, c = 5.187316833568645, total energy = -6.040457211241645

Attempting to perform relaxation using initial lattice constant guess of a = [3.19400081] Angstroms and c = 5.7373596338968325 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.040457
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 3.2027903225522873, c = 5.187316842704388, total energy = -6.040457211241647

Attempting to perform relaxation using initial lattice constant guess of a = [3.19400081] Angstroms and c = 5.99814870816487 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.040457
         Iterations: 75
         Function evaluations: 163
Results for this minimization:
  a = 3.2027902999322255, c = 5.187316872199048, total energy = -6.040457211241648

Attempting to perform relaxation using initial lattice constant guess of a = [3.19400081] Angstroms and c = 6.258937782432908 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.040457
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 3.202790288784234, c = 5.187316930402173, total energy = -6.040457211241645

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

 Final lattice Constants:
   a = 3.2027902999322255 Angstroms, c = 5.187316872199048 Angstroms, c/a = 1.619624

 Total energy: -6.040457211241648 eV

 Cohesive energy: -1.510114302810412 eV/atom

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