Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_000
Computed model cutoff of 5.000000004544876 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: -16.798653
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.561157810688023, total energy = -16.798653071284562

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: -16.798653
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.561157809849828, total energy = -16.798653071284566

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: -16.798653
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.561157807474956, total energy = -16.79865307128456

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: -16.798653
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.561157811060553, total energy = -16.79865307128456

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: -16.798653
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5611578106880213, total energy = -16.79865307128456

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: -16.798653
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.561157806636768, total energy = -16.798653071284562

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: -16.798653
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5611578006297355, total energy = -16.798653071284555

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: -16.798653
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5611578123643994, total energy = -16.798653071284562

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: -16.798653
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5611578106880213, total energy = -16.798653071284555

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: -16.798653
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.561157797276974, total energy = -16.798653071284555

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: -16.798653
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5611578041920438, total energy = -16.798653071284555

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: -16.798653
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5611578276380893, total energy = -16.79865307128455

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: -16.798653
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5611578077077866, total energy = -16.79865307128456

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: -16.798653
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.5611578123643994, total energy = -16.79865307128455

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: -16.798653
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5611578172072766, total energy = -16.79865307128456

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: -16.798653
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.561157802559318, total energy = -16.79865307128456

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: -16.798653
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5611578107578667, total energy = -16.79865307128456

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: -16.798653
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5611578102689236, total energy = -16.79865307128456

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: -16.798653
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.561157818289939, total energy = -16.79865307128456

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: -16.798653
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5611578039824954, total energy = -16.798653071284555

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: -16.798653
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.561157803563401, total energy = -16.798653071284555

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: -16.798653
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.561157811281734, total energy = -16.798653071284555

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: -16.798653
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5611578123643994, total energy = -16.798653071284555

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: -16.798653
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5611578090116343, total energy = -16.798653071284562

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: -16.798653
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5611578162759536, total energy = -16.79865307128456

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: -16.798653
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.561157810548321, total energy = -16.798653071284555

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: -16.798653
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5611578162759505, total energy = -16.79865307128456

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: -16.798653
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5611578123643994, total energy = -16.79865307128455

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: -16.798653
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5611578090116334, total energy = -16.798653071284562

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: -16.798653
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5611577960662526, total energy = -16.79865307128456

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: -16.798653
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5611578029755053, total energy = -16.79865307128456

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: -16.798653
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.561157804820683, total energy = -16.798653071284555

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: -16.798653
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.561157815158367, total energy = -16.798653071284555

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: -16.798653
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5611578130163197, total energy = -16.798653071284555

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.56115781] Angstroms and c = 3.3458825519339648 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.800146
         Iterations: 68
         Function evaluations: 152
Results for this minimization:
  a = 2.569429394034609, c = 4.155364475003976, total energy = -16.80014561244426

Attempting to perform relaxation using initial lattice constant guess of a = [2.56115781] Angstroms and c = 3.555000211429838 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.800146
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.5694293715859797, c = 4.155364589877994, total energy = -16.80014561244427

Attempting to perform relaxation using initial lattice constant guess of a = [2.56115781] Angstroms and c = 3.764117870925711 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.800146
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.569429388392261, c = 4.155364547725611, total energy = -16.800145612444272

Attempting to perform relaxation using initial lattice constant guess of a = [2.56115781] Angstroms and c = 3.973235530421584 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.800146
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 2.569429382530304, c = 4.155364519726902, total energy = -16.800145612444275

Attempting to perform relaxation using initial lattice constant guess of a = [2.56115781] Angstroms and c = 4.182353189917457 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.800146
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.569429380931288, c = 4.155364519392076, total energy = -16.80014561244427

Attempting to perform relaxation using initial lattice constant guess of a = [2.56115781] Angstroms and c = 4.39147084941333 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.800146
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.5694293893883913, c = 4.155364538218755, total energy = -16.80014561244427

Attempting to perform relaxation using initial lattice constant guess of a = [2.56115781] Angstroms and c = 4.600588508909203 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.800146
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.5694294082419056, c = 4.155364514334535, total energy = -16.800145612444265

Attempting to perform relaxation using initial lattice constant guess of a = [2.56115781] Angstroms and c = 4.809706168405076 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.800146
         Iterations: 77
         Function evaluations: 157
Results for this minimization:
  a = 2.5694293850267518, c = 4.155364557043637, total energy = -16.80014561244427

Attempting to perform relaxation using initial lattice constant guess of a = [2.56115781] Angstroms and c = 5.018823827900949 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.800146
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.5694294010678496, c = 4.155364543669137, total energy = -16.800145612444265

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

 Final lattice Constants:
   a = 2.569429382530304 Angstroms, c = 4.155364519726902 Angstroms, c/a = 1.617232

 Total energy: -16.800145612444275 eV

 Cohesive energy: -4.200036403111069 eV/atom

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