Element = Lattice = Model = Element: Co
Lattice: hcp
Model: MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_000
Computed model cutoff of 3.699999999701983 Angstroms
Computed isolated atomic energy of 0.0 eV for species Co

==============================================================================
==============================================================================
 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: -17.636723
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.500162171944979, total energy = -17.63672313188892

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: -17.636723
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5001621514558794, total energy = -17.63672313188892

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: -17.636723
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.50016216840595, total energy = -17.636723131888925

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: -17.636723
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5001621519681114, total energy = -17.636723131888914

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: -17.636723
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.500162167102101, total energy = -17.63672313188892

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: -17.636723
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5001621551811715, total energy = -17.636723131888914

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: -17.636723
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.500162175297737, total energy = -17.636723131888917

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: -17.636723
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.500162156764418, total energy = -17.636723131888917

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: -17.636723
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5001621738076225, total energy = -17.636723131888925

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: -17.636723
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5001621648203587, total energy = -17.636723131888928

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: -17.636723
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5001621514558803, total energy = -17.636723131888917

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: -17.636723
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5001621626317503, total energy = -17.63672313188892

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: -17.636723
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 2.500162161886692, total energy = -17.63672313188892

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: -17.636723
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5001621668227023, total energy = -17.636723131888928

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: -17.636723
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5001621596515173, total energy = -17.636723131888917

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: -17.636723
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.500162164331413, total energy = -17.63672313188892

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: -17.636723
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.50016216598451, total energy = -17.63672313188892

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: -17.636723
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.500162161886692, total energy = -17.636723131888917

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: -17.636723
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5001621697098013, total energy = -17.636723131888917

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: -17.636723
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5001621587900438, total energy = -17.63672313188892

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: -17.636723
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.500162159651517, total energy = -17.636723131888917

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: -17.636723
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5001621596515156, total energy = -17.63672313188892

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: -17.636723
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.500162157812156, total energy = -17.636723131888917

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 3.266198174945096 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.502308889338038, c = 4.075717414132957, total energy = -17.636855976774086

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 3.4703355608791644 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 2.5023089009095525, c = 4.075717397665754, total energy = -17.63685597677409

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 3.674472946813233 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.5023089064922504, c = 4.075717403544056, total energy = -17.63685597677409

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 3.8786103327473014 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.5023088919664884, c = 4.075717394605576, total energy = -17.636855976774086

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 4.08274771868137 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 64
         Function evaluations: 139
Results for this minimization:
  a = 2.502308902620078, c = 4.075717385621846, total energy = -17.636855976774086

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 4.286885104615438 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.5023088978774526, c = 4.075717420908607, total energy = -17.636855976774086

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 4.491022490549507 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.5023089021709986, c = 4.07571738805666, total energy = -17.636855976774086

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 4.695159876483576 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.5023088997818883, c = 4.0757173989556215, total energy = -17.636855976774086

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016216] Angstroms and c = 4.899297262417644 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.5023089016209337, c = 4.075717402132685, total energy = -17.636855976774093

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

 Final lattice Constants:
   a = 2.5023089016209337 Angstroms, c = 4.075717402132685 Angstroms, c/a = 1.628783

 Total energy: -17.636855976774093 eV

 Cohesive energy: -4.409213994193523 eV/atom

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