Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
Computed model cutoff of 3.726130589246756 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fe

==============================================================================
==============================================================================
 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: -17.047357
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.602184581756595, total energy = -17.047357450611663

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: -17.047357
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.602184554561972, total energy = -17.047357450611663

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: -17.047357
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.602184556191787, total energy = -17.047357450611667

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: -17.047357
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.6021845614537664, total energy = -17.04735745061168

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: -17.047357
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.6021845757961293, total energy = -17.04735745061167

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: -17.047357
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6021845637238603, total energy = -17.04735745061167

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: -17.047357
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.6021845637820666, total energy = -17.047357450611678

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: -17.047357
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.6021845698414836, total energy = -17.047357450611667

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: -17.047357
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.602184563130142, total energy = -17.04735745061166

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: -17.047357
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.6021845504641545, total energy = -17.047357450611656

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: -17.047357
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.6021845577051868, total energy = -17.04735745061166

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: -17.047357
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.6021845334675167, total energy = -17.047357450611646

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: -17.047357
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.6021845564246178, total energy = -17.047357450611663

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: -17.047357
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.6021845608484, total energy = -17.047357450611667

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: -17.047357
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.602184579893947, total energy = -17.047357450611646

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: -17.047357
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.602184570254757, total energy = -17.04735745061166

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: -17.047357
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.6021845579147325, total energy = -17.04735745061164

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: -17.047357
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.6021845545619726, total energy = -17.04735745061164

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: -17.047357
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.6021845661452963, total energy = -17.047357450611642

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: -17.047357
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.6021845528855914, total energy = -17.04735745061164

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: -17.047357
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.602184569649397, total energy = -17.047357450611642

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: -17.047357
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.6021845772862418, total energy = -17.04735745061164

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: -17.047357
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.6021845600625966, total energy = -17.047357450611646

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.60218456] Angstroms and c = 3.3994796757918633 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.047357
         Iterations: 78
         Function evaluations: 155
Results for this minimization:
  a = 2.6021845817670797, c = 4.249349598265641, total energy = -17.04735745061165

Attempting to perform relaxation using initial lattice constant guess of a = [2.60218456] Angstroms and c = 3.611947155528855 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.047357
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.6021845610412258, c = 4.249349600738567, total energy = -17.047357450611642

Attempting to perform relaxation using initial lattice constant guess of a = [2.60218456] Angstroms and c = 3.8244146352658466 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.047357
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.6021845759490887, c = 4.249349625912296, total energy = -17.04735745061165

Attempting to perform relaxation using initial lattice constant guess of a = [2.60218456] Angstroms and c = 4.036882115002838 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.047357
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 2.6021845670290578, c = 4.249349566730309, total energy = -17.047357450611656

Attempting to perform relaxation using initial lattice constant guess of a = [2.60218456] Angstroms and c = 4.249349594739829 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.047357
         Iterations: 64
         Function evaluations: 138
Results for this minimization:
  a = 2.602184590275743, c = 4.249349586966258, total energy = -17.04735745061164

Attempting to perform relaxation using initial lattice constant guess of a = [2.60218456] Angstroms and c = 4.461817074476821 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.047357
         Iterations: 64
         Function evaluations: 136
Results for this minimization:
  a = 2.6021845711245355, c = 4.249349556184848, total energy = -17.047357450611646

Attempting to perform relaxation using initial lattice constant guess of a = [2.60218456] Angstroms and c = 4.674284554213813 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.047357
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.602184561684507, c = 4.249349598480846, total energy = -17.04735745061165

Attempting to perform relaxation using initial lattice constant guess of a = [2.60218456] Angstroms and c = 4.886752033950804 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.047357
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.6021845496292473, c = 4.24934959998772, total energy = -17.047357450611642

Attempting to perform relaxation using initial lattice constant guess of a = [2.60218456] Angstroms and c = 5.099219513687796 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.047357
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.6021845735907077, c = 4.249349553620426, total energy = -17.047357450611646

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

 Final lattice Constants:
   a = [2.60218456] Angstroms, c = [4.24934959] Angstroms, c/a = 1.632993

 Total energy: -17.04735745061168 eV

 Cohesive energy: -4.26183936265292 eV/atom

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