Element = Lattice = Model = Element: Co
Lattice: hcp
Model: MEAM_LAMMPS_ChoiKimSeol_2017_CoMn__MO_808662295149_000
Computed model cutoff of 4.5000000042096095 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: 79
Results for this minimization:
  a = 2.5001621752977403, total energy = -17.63672313147673

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: 80
Results for this minimization:
  a = 2.5001621715724474, total energy = -17.636723131476742

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: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.500162154319696, total energy = -17.636723131476735

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.500162163749342, total energy = -17.636723131476742

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 = 2.5001621715724496, total energy = -17.63672313147674

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5001621635048665, total energy = -17.63672313147674

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 = 2.500162164866924, total energy = -17.63672313147674

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: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.500162146985531, total energy = -17.636723131476728

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.500162166357042, total energy = -17.63672313147674

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: 72
Results for this minimization:
  a = 2.500162179861218, total energy = -17.636723131476735

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: 70
Results for this minimization:
  a = 2.500162170734258, total energy = -17.636723131476742

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: 67
Results for this minimization:
  a = 2.5001621750183403, total energy = -17.636723131476742

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: 70
Results for this minimization:
  a = 2.500162153504789, total energy = -17.63672313147674

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: 70
Results for this minimization:
  a = 2.500162164866925, total energy = -17.63672313147674

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: 77
Results for this minimization:
  a = 2.5001621596515173, total energy = -17.63672313147674

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: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5001621654024335, total energy = -17.636723131476742

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: 77
Results for this minimization:
  a = 2.5001621793955557, total energy = -17.636723131476735

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: 76
Results for this minimization:
  a = 2.5001621805131435, total energy = -17.63672313147673

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: 74
Results for this minimization:
  a = 2.5001621645642444, total energy = -17.63672313147674

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: 77
Results for this minimization:
  a = 2.500162178277969, total energy = -17.63672313147673

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 = 2.500162164866923, total energy = -17.636723131476742

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: 76
Results for this minimization:
  a = 2.5001621704548573, total energy = -17.636723131476735

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: 77
Results for this minimization:
  a = 2.5001621805131435, total energy = -17.636723131476728

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: -17.636723
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5001621675211902, total energy = -17.63672313147674

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: -17.636723
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.500162175670265, total energy = -17.636723131476735

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: -17.636723
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5001621639414244, total energy = -17.636723131476735

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: -17.636723
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.500162174913563, total energy = -17.636723131476742

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: -17.636723
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.5001621666597202, total energy = -17.636723131476742

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: -17.636723
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5001621782779653, total energy = -17.63672313147674

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: -17.636723
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5001621687202698, total energy = -17.636723131476746

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 3.2661981800399182 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.5023088987232907, c = 4.075717427385378, total energy = -17.63685597706062

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 3.4703355662924134 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.502308877375285, c = 4.075717442632497, total energy = -17.63685597706061

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 3.6744729525449085 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.502308923460637, c = 4.075717371418371, total energy = -17.63685597706061

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 3.8786103387974036 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 66
         Function evaluations: 138
Results for this minimization:
  a = 2.5023088998396883, c = 4.075717406231631, total energy = -17.63685597706062

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 4.082747725049899 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.5023089096097424, c = 4.075717381153906, total energy = -17.636855977060616

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 4.286885111302394 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.5023089111615335, c = 4.075717372719847, total energy = -17.636855977060616

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 4.491022497554889 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.5023089061684654, c = 4.075717393052625, total energy = -17.636855977060613

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 4.695159883807384 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 76
         Function evaluations: 155
Results for this minimization:
  a = 2.50230891182192, c = 4.07571743140109, total energy = -17.636855977060613

Attempting to perform relaxation using initial lattice constant guess of a = [2.50016217] Angstroms and c = 4.899297270059879 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.636856
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.5023089021193643, c = 4.075717432302428, total energy = -17.636855977060616

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

 Final lattice Constants:
   a = 2.5023088987232907 Angstroms, c = 4.075717427385378 Angstroms, c/a = 1.628783

 Total energy: -17.63685597706062 eV

 Cohesive energy: -4.409213994265155 eV/atom

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