Element = Lattice = Model = Element: Si
Lattice: hcp
Model: Sim_LAMMPS_MEAM_LenoskySadighAlonso_2000_Si__SM_622320990752_000
Computed model cutoff of 4.499999959208102 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: -15.684015
         Iterations: 43
         Function evaluations: 87
Results for this minimization:
  a = 2.831497129052882, total energy = -15.684014704273379

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: -15.684015
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8314971309155235, total energy = -15.684014704273377

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: -15.684015
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.8314971290528774, total energy = -15.68401470427338

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: -15.684015
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.8314971293555633, total energy = -15.68401470427338

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: -15.684015
         Iterations: 41
         Function evaluations: 84
Results for this minimization:
  a = 2.831497129169297, total energy = -15.684014704273382

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: -15.684015
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.831497129146011, total energy = -15.684014704273377

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: -15.684015
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8314971278887247, total energy = -15.684014704273379

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: -15.684015
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.831497128121555, total energy = -15.684014704273377

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: -15.684015
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.8314971301704674, total energy = -15.684014704273377

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: -15.684015
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8314971298910674, total energy = -15.68401470427338

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: -15.684015
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8314971300773326, total energy = -15.684014704273379

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: -15.684015
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8314971295883855, total energy = -15.684014704273379

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: -15.684015
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.831497128121555, total energy = -15.684014704273377

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: -15.684015
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8314971304964267, total energy = -15.684014704273377

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: -15.684015
         Iterations: 33
         Function evaluations: 67
Results for this minimization:
  a = 2.8314971298677842, total energy = -15.684014704273379

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: -15.684015
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.83149712816812, total energy = -15.684014704273382

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: -15.684015
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.831497127842158, total energy = -15.684014704273377

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: -15.684015
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.8314971295185387, total energy = -15.68401470427338

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: -15.684015
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.831497129448689, total energy = -15.68401470427338

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: -15.684015
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.831497129867785, total energy = -15.68401470427338

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: -15.684015
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.831497128866611, total energy = -15.68401470427338

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: -0.446214
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.893604613700882, total energy = -0.4462141213374916

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: -0.446214
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.893604615703225, total energy = -0.4462141213374916

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: -0.446214
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.8936046166345477, total energy = -0.4462141213374916

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: -0.446214
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.8936046123504644, total energy = -0.44621412133749155

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: -0.446214
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.893604616820812, total energy = -0.4462141213374916

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: -15.684015
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.8314971294952516, total energy = -15.684014704273379

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: -15.684015
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.831497128754563, total energy = -15.68401470427338

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 4.7250000000000005, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.83149713] Angstroms and c = 3.699052359797445 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.260569
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 3.0771446694782187, c = 3.3968995782679547, total energy = -17.26056882480486

Attempting to perform relaxation using initial lattice constant guess of a = [2.83149713] Angstroms and c = 3.9302431322847857 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.260569
         Iterations: 80
         Function evaluations: 167
Results for this minimization:
  a = 3.0771446736808676, c = 3.3968995685048053, total energy = -17.260568824804867

Attempting to perform relaxation using initial lattice constant guess of a = [2.83149713] Angstroms and c = 4.161433904772126 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.144794
         Iterations: 86
         Function evaluations: 172
Results for this minimization:
  a = 3.481921449066327, c = 2.6324721125408583, total energy = -18.144794384311275

Attempting to perform relaxation using initial lattice constant guess of a = [2.83149713] Angstroms and c = 4.392624677259467 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.144794
         Iterations: 85
         Function evaluations: 179
Results for this minimization:
  a = 3.4819214531705875, c = 2.6324721137152185, total energy = -18.144794384311275

Attempting to perform relaxation using initial lattice constant guess of a = [2.83149713] Angstroms and c = 4.623815449746807 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.144794
         Iterations: 100
         Function evaluations: 206
Results for this minimization:
  a = 3.4819214542526407, c = 2.6324721017880996, total energy = -18.144794384311275

Attempting to perform relaxation using initial lattice constant guess of a = [2.83149713] Angstroms and c = 4.855006222234148 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.761742
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.589564910595198, c = 5.290923459643821, total energy = -15.7617418692178

Attempting to perform relaxation using initial lattice constant guess of a = [2.83149713] Angstroms and c = 5.0861969947214885 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.761742
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.5895649326903496, c = 5.29092341867747, total energy = -15.761741869217804

Attempting to perform relaxation using initial lattice constant guess of a = [2.83149713] Angstroms and c = 5.317387767208829 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.761742
         Iterations: 74
         Function evaluations: 162
Results for this minimization:
  a = 2.5895649278286132, c = 5.290923427916035, total energy = -15.761741869217804

Attempting to perform relaxation using initial lattice constant guess of a = [2.83149713] Angstroms and c = 5.5485785396961695 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.144794
         Iterations: 85
         Function evaluations: 172
Results for this minimization:
  a = 3.4819214525310924, c = 2.6324721052682403, total energy = -18.144794384311275

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

 Final lattice Constants:
   a = 3.481921449066327 Angstroms, c = 2.6324721125408583 Angstroms, c/a = 0.756040

 Total energy: -18.144794384311275 eV

 Cohesive energy: -4.536198596077819 eV/atom

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