Element = Lattice = Model = Element: Si
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 Si

==============================================================================
==============================================================================
 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: -16.571542
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.0574392914772073, total energy = -16.57154185696976

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: -16.571542
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.05743927359581, total energy = -16.571541856969755

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: -16.571542
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.0574392918497324, total energy = -16.571541856969755

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: -16.571542
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.0574392884969788, total energy = -16.571541856969763

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: -16.571542
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0574392830953037, total energy = -16.571541856969755

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: -16.571542
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.0574392938986446, total energy = -16.571541856969755

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: -16.571542
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.057439303398132, total energy = -16.571541856969755

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: -16.571542
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.057439288124442, total energy = -16.571541856969755

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: -16.571542
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.057439285516742, total energy = -16.571541856969755

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: -16.571542
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.057439287006857, total energy = -16.571541856969755

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: -16.571542
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.057439273595811, total energy = -16.57154185696975

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: -16.571542
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.057439284957945, total energy = -16.571541856969755

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: -16.571542
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.0574392676353455, total energy = -16.57154185696975

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: -16.571542
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.0574392942711723, total energy = -16.571541856969755

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: -16.571542
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.057439286448062, total energy = -16.571541856969755

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: -16.571542
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.057439291290938, total energy = -16.571541856969752

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: -16.571542
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.057439287565648, total energy = -16.57154185696976

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: -16.571542
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.0574392911512405, total energy = -16.571541856969755

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: -16.571542
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.0574392817914493, total energy = -16.571541856969755

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: -16.571542
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.057439301675185, total energy = -16.571541856969755

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: -16.571542
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.057439282536506, total energy = -16.571541856969755

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: -16.571542
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.0574392831127626, total energy = -16.571541856969755

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: -16.571542
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.057439288124442, total energy = -16.57154185696976

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: -16.571542
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.0574392945039994, total energy = -16.571541856969755

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: -16.571542
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0574392974376665, total energy = -16.571541856969755

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: -16.571542
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.0574392925947915, total energy = -16.571541856969752

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: -16.571542
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.0574392870068534, total energy = -16.571541856969763

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: -16.571542
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.0574392760172486, total energy = -16.571541856969755

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: -16.571542
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.0574392735958065, total energy = -16.57154185696975

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: -16.571542
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.057439292781053, total energy = -16.57154185696976

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: -16.571542
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.057439295575024, total energy = -16.571541856969752

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: -16.571542
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.05743929329328, total energy = -16.571541856969755

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: -16.571542
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.0574392788112164, total energy = -16.571541856969755

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: -16.571542
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.0574392884969672, total energy = -16.571541856969755

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 3.9942219607230123 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.706397
         Iterations: 79
         Function evaluations: 166
Results for this minimization:
  a = 3.672716071094242, c = 2.9264148988600436, total energy = -17.706397244080712

Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 4.243860833268201 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.659745
         Iterations: 66
         Function evaluations: 149
Results for this minimization:
  a = 3.103668144520001, c = 4.359734372935035, total energy = -16.659744810279324

Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 4.49349970581339 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.659745
         Iterations: 84
         Function evaluations: 173
Results for this minimization:
  a = 3.103668137109078, c = 4.359734365249347, total energy = -16.65974481027932

Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 4.743138578358578 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.659745
         Iterations: 80
         Function evaluations: 170
Results for this minimization:
  a = 3.1036681599947125, c = 4.359734437554023, total energy = -16.65974481027932

Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 4.992777450903766 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.659745
         Iterations: 89
         Function evaluations: 186
Results for this minimization:
  a = 3.1036681380541253, c = 4.359734347045195, total energy = -16.659744810279324

Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 5.242416323448955 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.659745
         Iterations: 83
         Function evaluations: 175
Results for this minimization:
  a = 3.103668156786304, c = 4.359734401965353, total energy = -16.65974481027932

Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 5.492055195994144 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.659745
         Iterations: 84
         Function evaluations: 173
Results for this minimization:
  a = 3.1036681396179167, c = 4.359734351934975, total energy = -16.659744810279324

Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 5.741694068539332 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.659745
         Iterations: 84
         Function evaluations: 178
Results for this minimization:
  a = 3.103668171245994, c = 4.35973444076941, total energy = -16.659744810279314

Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 5.99133294108452 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.706397
         Iterations: 90
         Function evaluations: 184
Results for this minimization:
  a = 3.67271607411202, c = 2.9264149230466256, total energy = -17.70639724408071

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

 Final lattice Constants:
   a = 3.672716071094242 Angstroms, c = 2.9264148988600436 Angstroms, c/a = 0.796799

 Total energy: -17.706397244080712 eV

 Cohesive energy: -4.426599311020178 eV/atom

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