Element = Lattice = Model = Element: Mg
Lattice: hcp
Model: MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_000
Computed model cutoff of 5.999999990463257 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: -6.196729
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.2001324951648757, total energy = -6.196728576213557

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: -6.196729
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.200132501288317, total energy = -6.196728576213558

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: -6.196729
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2001325038727373, total energy = -6.196728576213556

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: -6.196729
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.2001324795186594, total energy = -6.19672857621356

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: -6.196729
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.200132497446616, total energy = -6.196728576213561

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: -6.196729
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 3.2001325050136096, total energy = -6.196728576213559

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: -6.196729
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.2001324996352194, total energy = -6.196728576213555

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: -6.196729
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.2001325003802776, total energy = -6.196728576213557

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: -6.196729
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.200132495164875, total energy = -6.196728576213555

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: -6.196729
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.2001324842916823, total energy = -6.196728576213558

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: -6.196729
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.2001324815908454, total energy = -6.196728576213559

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: -6.196729
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.2001324895769336, total energy = -6.196728576213559

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: -6.196729
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.200132504105568, total energy = -6.196728576213558

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: -6.196729
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.200132503872738, total energy = -6.196728576213556

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: -6.196729
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.200132503081115, total energy = -6.196728576213556

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: -6.196729
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.200132484920323, total energy = -6.196728576213557

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: -6.196729
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.2001324903219945, total energy = -6.196728576213557

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: -6.196729
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.2001325115561485, total energy = -6.196728576213558

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: -6.196729
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.2001325041055684, total energy = -6.196728576213559

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: -6.196729
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.2001325115561485, total energy = -6.196728576213558

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: -6.196729
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2001324893673884, total energy = -6.196728576213559

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: -6.196729
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.200132472161203, total energy = -6.196728576213556

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: -6.196729
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.2001325010787696, total energy = -6.196728576213558

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: -6.196729
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.200132483150808, total energy = -6.196728576213558

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: -6.196729
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.2001324923709022, total energy = -6.19672857621356

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: -6.196729
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.2001324959099295, total energy = -6.196728576213555

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: -6.196729
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.2001324823126183, total energy = -6.196728576213557

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: -6.196729
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.2001325038727373, total energy = -6.196728576213555

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: -6.196729
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.200132483843479, total energy = -6.19672857621356

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: -6.196729
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.20013248939067, total energy = -6.196728576213556

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: -6.196729
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.200132493115963, total energy = -6.196728576213557

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: -6.196729
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.2001324737240777, total energy = -6.196728576213555

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: -6.196729
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.20013250480406, total energy = -6.196728576213558

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: -6.196729
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 3.200132506121004, total energy = -6.196728576213557

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: -6.196729
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2001324813812957, total energy = -6.196728576213557

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: -6.196729
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.2001324861543274, total energy = -6.196728576213556

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: -6.196729
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.2001325061544748, total energy = -6.196728576213556

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: -6.196729
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2001324945304077, total energy = -6.196728576213556

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: -6.196729
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2001324720680673, total energy = -6.1967285762135536

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: -6.196729
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.200132493302224, total energy = -6.196728576213557

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: -6.196729
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.2001325070857938, total energy = -6.196728576213554

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 4.1806355882893875 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 3.2090649735260746, c = 5.196910554093909, total energy = -6.197371400777616

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 4.4419253125574745 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 66
         Function evaluations: 147
Results for this minimization:
  a = 3.2090649839275165, c = 5.196910493840498, total energy = -6.197371400777616

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 4.703215036825561 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 3.209064994679795, c = 5.196910549734629, total energy = -6.197371400777618

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 4.964504761093648 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 3.2090650073973515, c = 5.196910548103428, total energy = -6.197371400777615

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 5.225794485361735 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 64
         Function evaluations: 144
Results for this minimization:
  a = 3.2090649988058386, c = 5.196910502692713, total energy = -6.197371400777619

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 5.487084209629822 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 66
         Function evaluations: 147
Results for this minimization:
  a = 3.2090649823418356, c = 5.196910536754924, total energy = -6.197371400777617

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 5.748373933897909 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.2090650037410304, c = 5.196910504003819, total energy = -6.197371400777617

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 6.009663658165996 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 3.209064991403357, c = 5.196910547220476, total energy = -6.197371400777617

Attempting to perform relaxation using initial lattice constant guess of a = [3.2001325] Angstroms and c = 6.270953382434083 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.197371
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 3.2090649858009597, c = 5.196910570494715, total energy = -6.197371400777618

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

 Final lattice Constants:
   a = 3.2090649988058386 Angstroms, c = 5.196910502692713 Angstroms, c/a = 1.619447

 Total energy: -6.197371400777619 eV

 Cohesive energy: -1.5493428501944047 eV/atom

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