Element = Lattice = Model = Element: Si
Lattice: hcp
Model: MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
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: -16.543826
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9328584969043776, total energy = -16.543825611739546

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: -16.543826
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9328585036098955, total energy = -16.543825611739543

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: -16.543826
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9328585118055344, total energy = -16.543825611739543

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: -16.543826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.932858489640063, total energy = -16.543825611739543

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: -16.543826
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9328585024923113, total energy = -16.543825611739546

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: -16.543826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9328585008159296, total energy = -16.543825611739546

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: -16.543826
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9328584994655102, total energy = -16.543825611739546

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: -16.543826
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9328585052862763, total energy = -16.543825611739543

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: -16.543826
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.932858502492311, total energy = -16.543825611739543

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: -16.543826
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.932858500728617, total energy = -16.543825611739546

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: -16.543826
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9328584994189444, total energy = -16.543825611739546

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: -16.543826
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9328584922477585, total energy = -16.543825611739546

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: -16.543826
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9328585118055344, total energy = -16.543825611739543

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: -16.543826
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.932858499139548, total energy = -16.54382561173955

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: -16.543826
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.93285849886015, total energy = -16.54382561173955

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: -16.543826
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9328584972769027, total energy = -16.543825611739546

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: -16.543826
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.932858501095324, total energy = -16.543825611739546

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: -16.543826
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.9328584927134216, total energy = -16.543825611739543

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: -16.543826
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.932858491130173, total energy = -16.543825611739543

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: -16.543826
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9328585036098955, total energy = -16.543825611739543

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: -16.543826
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.932858514785766, total energy = -16.54382561173954

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: -16.543826
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9328585048962843, total energy = -16.543825611739546

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: -16.543826
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.932858499698341, total energy = -16.54382561173955

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: -16.543826
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9328585073119, total energy = -16.543825611739546

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: -16.543826
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9328585088253014, total energy = -16.543825611739546

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: -16.543826
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9328585050068803, total energy = -16.543825611739543

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: -16.543826
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9328585085459027, total energy = -16.543825611739546

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: -16.543826
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9328584915201645, total energy = -16.543825611739546

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: -16.543826
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9328585034003445, total energy = -16.54382561173955

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: -16.543826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.932858501654117, total energy = -16.543825611739543

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: -16.543826
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.932858503307217, total energy = -16.543825611739543

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: -16.543826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9328584935516093, total energy = -16.543825611739543

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: -16.543826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.932858508080244, total energy = -16.543825611739543

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: -16.543826
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9328584948554584, total energy = -16.54382561173955

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.9328585] Angstroms and c = 3.831470299027621 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.674148
         Iterations: 79
         Function evaluations: 167
Results for this minimization:
  a = 3.772609896722603, c = 2.9044018554302142, total energy = -17.67414835965089

Attempting to perform relaxation using initial lattice constant guess of a = [2.9328585] Angstroms and c = 4.070937192716847 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.544434
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 2.938946486801223, c = 4.7694166774630755, total energy = -16.54443392141248

Attempting to perform relaxation using initial lattice constant guess of a = [2.9328585] Angstroms and c = 4.310404086406073 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.544434
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.938946485841324, c = 4.76941666957326, total energy = -16.54443392141248

Attempting to perform relaxation using initial lattice constant guess of a = [2.9328585] Angstroms and c = 4.549870980095299 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.544434
         Iterations: 66
         Function evaluations: 139
Results for this minimization:
  a = 2.938946496783184, c = 4.769416655716211, total energy = -16.544433921412477

Attempting to perform relaxation using initial lattice constant guess of a = [2.9328585] Angstroms and c = 4.7893378737845245 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.544434
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.9389464849327824, c = 4.769416704413125, total energy = -16.544433921412477

Attempting to perform relaxation using initial lattice constant guess of a = [2.9328585] Angstroms and c = 5.02880476747375 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.544434
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.938946495315758, c = 4.769416661164312, total energy = -16.544433921412477

Attempting to perform relaxation using initial lattice constant guess of a = [2.9328585] Angstroms and c = 5.268271661162976 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.544434
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.93894648636991, c = 4.769416672957059, total energy = -16.544433921412477

Attempting to perform relaxation using initial lattice constant guess of a = [2.9328585] Angstroms and c = 5.507738554852202 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.544434
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.9389464992666268, c = 4.76941663141546, total energy = -16.544433921412473

Attempting to perform relaxation using initial lattice constant guess of a = [2.9328585] Angstroms and c = 5.747205448541428 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.544434
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.938946483990478, c = 4.769416670469551, total energy = -16.54443392141248

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

 Final lattice Constants:
   a = 3.772609896722603 Angstroms, c = 2.9044018554302142 Angstroms, c/a = 0.769865

 Total energy: -17.67414835965089 eV

 Cohesive energy: -4.418537089912722 eV/atom

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