Element = Lattice = Model = Element: O
Lattice: hcp
Model: MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_000
Computed model cutoff of 6.1999997120350985 Angstroms
Computed isolated atomic energy of 0.0 eV for species O

==============================================================================
==============================================================================
 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: -2.110758
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.2494964573532377, total energy = -2.1107583831444483

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: -2.110758
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.249496442289091, total energy = -2.1107583831444456

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: -2.110758
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.2494964599609375, total energy = -2.1107583831444447

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: -2.110758
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.249496455560442, total energy = -2.1107583831444465

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: -2.110758
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.2494964599609397, total energy = -2.1107583831444474

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: -2.110758
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.249496448785068, total energy = -2.110758383144445

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: -2.110758
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.2494964487850666, total energy = -2.110758383144445

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: -2.110758
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.249496451491723, total energy = -2.1107583831444465

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: -2.110758
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.2494964599609375, total energy = -2.1107583831444456

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: -2.110758
         Iterations: 31
         Function evaluations: 67
Results for this minimization:
  a = 2.2494964530691504, total energy = -2.1107583831444465

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: -2.110758
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.2494964573765173, total energy = -2.1107583831444465

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: -2.110758
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.2494964488403637, total energy = -2.110758383144446

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: -2.110758
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.249496452510357, total energy = -2.1107583831444456

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: -2.110758
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.2494964478071777, total energy = -2.1107583831444465

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: -2.110758
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.2494964573532337, total energy = -2.110758383144443

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: -2.110758
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.2494964479206816, total energy = -2.110758383144445

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: -2.110758
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.249496447667478, total energy = -2.1107583831444447

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: -2.110758
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.249496456934139, total energy = -2.110758383144446

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: -2.110758
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.249496448860735, total energy = -2.1107583831444434

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: -2.110758
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.2494964596291522, total energy = -2.110758383144446

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: -2.110758
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.24949644356966, total energy = -2.1107583831444447

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: -2.110758
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.2494964586570836, total energy = -2.1107583831444456

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: -2.110758
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.2494964491343126, total energy = -2.1107583831444456

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: -2.110758
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.2494964559096795, total energy = -2.1107583831444456

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: -2.110758
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.249496449343858, total energy = -2.110758383144444

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: -2.110758
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.2494964424986406, total energy = -2.1107583831444456

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: -2.110758
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.249496453069147, total energy = -2.1107583831444456

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: -2.110758
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.249496456119232, total energy = -2.110758383144445

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: -2.110758
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.249496442079539, total energy = -2.110758383144444

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: -2.110758
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.2494964577112095, total energy = -2.110758383144445

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: -2.110758
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.2494964486744737, total energy = -2.110758383144445

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: -2.110758
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.249496452417221, total energy = -2.1107583831444456

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: -2.110758
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.2494964571669698, total energy = -2.110758383144445

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: -2.110758
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.2494964523939345, total energy = -2.1107583831444443

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: -2.110758
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.249496456485938, total energy = -2.1107583831444443

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: -2.110758
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.249496454279871, total energy = -2.1107583831444447

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: -2.110758
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.249496450182046, total energy = -2.110758383144445

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: -2.110758
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.2494964553334285, total energy = -2.1107583831444465

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: -2.110758
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.2494964545476184, total energy = -2.1107583831444456

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: -2.110758
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.249496456980703, total energy = -2.1107583831444443

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: -2.110758
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.2494964420795354, total energy = -2.110758383144444

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: -2.110758
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.249496444547545, total energy = -2.110758383144445

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: -2.110758
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.249496448712307, total energy = -2.110758383144446

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.24949646] Angstroms and c = 2.9387298659807217 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.408855
         Iterations: 111
         Function evaluations: 230
Results for this minimization:
  a = 2.7441572915533374, c = 2.240595127346379, total energy = -3.4088547031230867

Attempting to perform relaxation using initial lattice constant guess of a = [2.24949646] Angstroms and c = 3.1224004826045166 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.408855
         Iterations: 87
         Function evaluations: 191
Results for this minimization:
  a = 2.744157180582981, c = 2.2405953146151507, total energy = -3.4088547031230867

Attempting to perform relaxation using initial lattice constant guess of a = [2.24949646] Angstroms and c = 3.3060710992283115 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.408855
         Iterations: 89
         Function evaluations: 190
Results for this minimization:
  a = 2.744157424624263, c = 2.240594916119, total energy = -3.4088547031230862

Attempting to perform relaxation using initial lattice constant guess of a = [2.24949646] Angstroms and c = 3.4897417158521065 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.408855
         Iterations: 89
         Function evaluations: 194
Results for this minimization:
  a = 2.7441570391422214, c = 2.240595522853217, total energy = -3.4088547031230854

Attempting to perform relaxation using initial lattice constant guess of a = [2.24949646] Angstroms and c = 3.6734123324759014 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.407997
         Iterations: 125
         Function evaluations: 274
Results for this minimization:
  a = 1.9441533983906245, c = 12.68176693638044, total energy = -3.4079971900106854

Attempting to perform relaxation using initial lattice constant guess of a = [2.24949646] Angstroms and c = 3.8570829490996963 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.407997
         Iterations: 110
         Function evaluations: 243
Results for this minimization:
  a = 1.9441534042470368, c = 12.371719429521542, total energy = -3.407997190010685

Attempting to perform relaxation using initial lattice constant guess of a = [2.24949646] Angstroms and c = 4.040753565723492 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.407997
         Iterations: 117
         Function evaluations: 260
Results for this minimization:
  a = 1.9441534032141012, c = 12.616841948137083, total energy = -3.4079971900106862

Attempting to perform relaxation using initial lattice constant guess of a = [2.24949646] Angstroms and c = 4.224424182347287 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.407997
         Iterations: 107
         Function evaluations: 256
Results for this minimization:
  a = 1.94415340238504, c = 12.561890544047557, total energy = -3.4079971900106845

Attempting to perform relaxation using initial lattice constant guess of a = [2.24949646] Angstroms and c = 4.4080947989710815 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.407997
         Iterations: 112
         Function evaluations: 259
Results for this minimization:
  a = 1.9441533998222995, c = 12.645124969684392, total energy = -3.407997190010685

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

 Final lattice Constants:
   a = 2.7441572915533374 Angstroms, c = 2.240595127346379 Angstroms, c/a = 0.816497

 Total energy: -3.4088547031230867 eV

 Cohesive energy: -0.8522136757807717 eV/atom

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