Element = Lattice = Model = Element: Si
Lattice: hcp
Model: MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
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: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.0574392820708454, 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: 81
Results for this minimization:
  a = 3.0574392884969788, total energy = -16.571541856969755

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 = 3.057439283654097, total energy = -16.57154185696976

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.057439301162961, total energy = -16.571541856969752

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: 80
Results for this minimization:
  a = 3.057439282536506, 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 = 3.0574392825365067, 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: 75
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: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.0574392931419445, 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: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.0574392937123784, total energy = -16.571541856969755

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 = 3.05743928849697, 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: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.0574392788112164, total energy = -16.571541856969755

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 = 3.057439284492285, 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: 73
Results for this minimization:
  a = 3.057439289521427, 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 = 3.0574392870068543, 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: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.0574392825365067, total energy = -16.571541856969755

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: 70
Results for this minimization:
  a = 3.0574392818380147, 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: 70
Results for this minimization:
  a = 3.057439290871845, total energy = -16.57154185696976

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.057439295231597, 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: 74
Results for this minimization:
  a = 3.057439282536506, total energy = -16.571541856969752

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.057439280580729, 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: 73
Results for this minimization:
  a = 3.05743929091841, 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 = 3.0574392728507496, 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: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.0574393093585956, total energy = -16.571541856969752

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: 77
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: 78
Results for this minimization:
  a = 3.0574392838403566, total energy = -16.57154185696976

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: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.0574392825365067, 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: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.0574393012560868, total energy = -16.571541856969755

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: 79
Results for this minimization:
  a = 3.0574392856738983, 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: 80
Results for this minimization:
  a = 3.057439281418921, total energy = -16.571541856969755

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: 81
Results for this minimization:
  a = 3.0574392860289636, 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: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.057439286261797, 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 = 3.9942219646163664 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 4.243860837404889 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 4.4934997101934115 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 4.743138582981935 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 4.992777455770458 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 5.24241632855898 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 5.492055201347503 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 5.741694074136026 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.05743929] Angstroms and c = 5.991332946924549 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [3.05743929] Angstroms, c = [4.99277746] Angstroms, c/a = 1.632993

 Total energy: -16.57154185696976 eV

 Cohesive energy: -4.14288546424244 eV/atom

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